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Structure for inhibitor I14.001: hirudin

Summary Alignment Tree Sequences Sequence features Distribution Structure Literature

 

PDB Organism Resolution Comment
4HTC_I Hirudo medicinalis 2.30 Å complex with human thrombin
Only the inhibitor molecule is shown. The reactive site residues are shown in ball-and-stick representation: Ile8 and Tyr10 in green and Thr9 in orange.
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TERTIARY STRUCTURE DATA
Comment Resolution PDB PDBe SCOP CATH PDBSum Proteopedia Reference
Hirudinaria manillensis
mature  inhibitor 2.30 Å 1THR 1THR 1THR 1THR 1THR 1THR Qiu et al., 1993
Hirudo medicinalis
complex with prothrombin 2.10 Å 1A2C 1A2C 1A2C 1A2C 1A2C 1A2C
complex with thrombin 1.80 Å 1A3B 1A3B 1A3B 1A3B 1A3B 1A3B Skordalakes et al., 1998
complex with thrombin 1.85 Å 1A3E 1A3E 1A3E 1A3E 1A3E 1A3E Skordalakes et al., 1998
complex with thrombin 2.12 Å 1A46 1A46 1A46 1A46 1A46 1A46 St et al., 1999
complex with thrombin 1.80 Å 1A4W 1A4W 1A4W 1A4W 1A4W 1A4W Matthews et al., 1996
complex with thrombin 2.06 Å 1A5G 1A5G 1A5G 1A5G 1A5G 1A5G St et al., 1999
complex with thrombin 2.20 Å 1A61 1A61 1A61 1A61 1A61 1A61 St et al., 1999
complex with human thrombin 2.30 Å 1ABI 1ABI 1ABI 1ABI 1ABI 1ABI Qiu et al., 1992
complex with human thrombin 2.00 Å 1AD8 1AD8 1AD8 1AD8 1AD8 1AD8 Malikayil et al., 1997
complex with human thrombin 2.00 Å 1AE8 1AE8 1AE8 1AE8 1AE8 1AE8 De et al., 1997
complex with human thrombin 2.00 Å 1AFE 1AFE 1AFE 1AFE 1AFE 1AFE De et al., 1997
complex with human thrombin 1.60 Å 1AHT 1AHT 1AHT 1AHT 1AHT 1AHT Chen et al., 1995
complex with human thrombin and methoxypropylboronic acid derivative 1.85 Å 1AI8 1AI8 1AI8 1AI8 1AI8 1AI8 Bode et al., 1992
complex with human thrombin 2.10 Å 1AIX 1AIX 1AIX 1AIX 1AIX 1AIX Bode et al., 1992
complex with human thrombin 2.20 Å 1AWF 1AWF 1AWF 1AWF 1AWF 1AWF Weir et al., 1998
complex with human thrombin 1.80 Å 1AY6 1AY6 1AY6 1AY6 1AY6 1AY6 Maryanoff et al., 1993
complex with human thrombin 2.07 Å 1B5G 1B5G 1B5G 1B5G 1B5G 1B5G St et al., 1999
complex with human thrombin 1.80 Å 1BA8 1BA8 1BA8 1BA8 1BA8 1BA8 Krishnan et al., 1998
complex with human thrombin 2.10 Å 1BB0 1BB0 1BB0 1BB0 1BB0 1BB0 Krishnan et al., 1998
complex with human thrombin and proflavin 2.00 Å 1BCU 1BCU 1BCU 1BCU 1BCU 1BCU Conti et al., 1998
complex with human thrombin and BMS-186282 synthetic inhibitor 2.60 Å 1BMM 1BMM 1BMM 1BMM 1BMM 1BMM Malley et al., 1996
complex with human thrombin and BMS-186282 synthetic inhibitor 2.80 Å 1BMN 1BMN 1BMN 1BMN 1BMN 1BMN Malley et al., 1996
mature  inhibitor 1.75 Å 1C1U 1C1U 1C1U 1C1U 1C1U 1C1U Katz et al., 1998
mature  inhibitor 1.98 Å 1C1V 1C1V 1C1V 1C1V 1C1V 1C1V Katz et al., 1998
mature  inhibitor 1.90 Å 1C1W 1C1W 1C1W 1C1W 1C1W 1C1W Katz et al., 1998
mature  inhibitor 2.10 Å 1C4U 1C4U 1C4U 1C4U 1C4U 1C4U Krishnan et al., 2000
mature  inhibitor 1.47 Å 1C5L 1C5L 1C5L 1C5L 1C5L 1C5L Katz et al., 2000
mature  inhibitor 1.50 Å 1C5N 1C5N 1C5N 1C5N 1C5N 1C5N Katz et al., 2000
mature  inhibitor 1.90 Å 1C5O 1C5O 1C5O 1C5O 1C5O 1C5O Katz et al., 2000
mature  inhibitor 2.10 Å 1CA8 1CA8 1CA8 1CA8 1CA8 1CA8 Krishnan et al., 1998
mature  inhibitor 2.04 Å 1D3D 1D3D 1D3D 1D3D 1D3D 1D3D Chirgadze et al., 2000
mature  inhibitor 2.10 Å 1D3P 1D3P 1D3P 1D3P 1D3P 1D3P Chirgadze et al., 2000
mature  inhibitor 2.90 Å 1D3Q 1D3Q 1D3Q 1D3Q 1D3Q 1D3Q Chirgadze et al., 2000
mature  inhibitor 3.00 Å 1D3T 1D3T 1D3T 1D3T 1D3T 1D3T Chirgadze et al., 2000
mature  inhibitor 2.07 Å 1D4P 1D4P 1D4P 1D4P 1D4P 1D4P Chirgadze et al., 1997
mature  inhibitor 2.30 Å 1D9I 1D9I 1D9I 1D9I 1D9I 1D9I Krishnan et al., 2000
mature  inhibitor 1.70 Å 1DOJ 1DOJ 1DOJ 1DOJ 1DOJ 1DOJ Recacha et al., 2000
mature  inhibitor 3.16 Å 1DWB 1DWB 1DWB 1DWB 1DWB 1DWB Banner & Hadvary, 1991
mature  inhibitor 3.00 Å 1DWC 1DWC 1DWC 1DWC 1DWC 1DWC Banner & Hadvary, 1991
mature  inhibitor 3.00 Å 1DWD 1DWD 1DWD 1DWD 1DWD 1DWD Banner & Hadvary, 1991
mature  inhibitor 3.00 Å 1DWE 1DWE 1DWE 1DWE 1DWE 1DWE Banner & Hadvary, 1991
mature  inhibitor 2.30 Å 1FPC 1FPC 1FPC 1FPC 1FPC 1FPC Mathews & Tulinsky, 1995
mature  inhibitor 1.85 Å 1GHV 1GHV 1GHV 1GHV 1GHV 1GHV Katz et al., 2001
mature  inhibitor 1.75 Å 1GHW 1GHW 1GHW 1GHW 1GHW 1GHW Katz et al., 2001
mature  inhibitor 1.65 Å 1GHX 1GHX 1GHX 1GHX 1GHX 1GHX Katz et al., 2001
mature  inhibitor 1.85 Å 1GHY 1GHY 1GHY 1GHY 1GHY 1GHY Katz et al., 2001
mature  inhibitor 1.81 Å 1GJ4 1GJ4 1GJ4 1GJ4 1GJ4 1GJ4 Katz et al., 2001
mature  inhibitor 1.73 Å 1GJ5 1GJ5 1GJ5 1GJ5 1GJ5 1GJ5 Katz et al., 2001
complex with human thrombin and N-[(benzyloxy)carbonyl]-beta-phenyl-D-phenylalanyl- N-(1S,3E)-1-[dihydroxy(diphenoxy)-lambda~5~- phosphanyl]-4-methoxybut-3-en-1-yl-L-prolinamide 1.40 Å 1H8D 1H8D 1H8D 1H8D 1H8D 1H8D Skordalakes et al., 2001
complex with human thrombin and N-[(benzyloxy)carbonyl]-beta-phenyl-D-phenylalanyl- N-[(1S)-4-methoxy-1-phosphonobutyl]-L-prolinamide 1.75 Å 1H8I 1H8I 1H8I 1H8I 1H8I 1H8I Skordalakes et al., 2001
complex with prethrombin 2.30 Å 1HAG 1HAG 1HAG 1HAG 1HAG 1HAG Vijayalakshmi et al., 1994
complex with alpha-thrombin 2.30 Å 1HAH 1HAH 1HAH 1HAH 1HAH 1HAH Vijayalakshmi et al., 1994
NMR structure of residues 1-51 0.00 Å 1HIC 1HIC 1HIC 1HIC 1HIC 1HIC Szyperski et al., 1992
mature  inhibitor 2.80 Å 1HRT 1HRT 1HRT 1HRT 1HRT 1HRT Vitali et al., 1992
mature  inhibitor 2.10 Å 1HXE 1HXE 1HXE 1HXE 1HXE 1HXE Zhang & Tulinsky, 1997
mature  inhibitor 2.10 Å 1HXF 1HXF 1HXF 1HXF 1HXF 1HXF Zhang & Tulinsky, 1997
mature  inhibitor 2.00 Å 1IHS 1IHS 1IHS 1IHS 1IHS 1IHS Zdanov et al., 1993
mature  inhibitor 2.10 Å 1IHT 1IHT 1IHT 1IHT 1IHT 1IHT Zdanov et al., 1993
mature  inhibitor 1.86 Å 1K21 1K21 1K21 1K21 1K21 1K21 Dullweber et al., 2001
mature  inhibitor 1.93 Å 1K22 1K22 1K22 1K22 1K22 1K22 Dullweber et al., 2001
mature  inhibitor 1.80 Å 1NM6 1NM6 1NM6 1NM6 1NM6 1NM6 Nantermet et al., 2003
mature  inhibitor 1.90 Å 1NO9 1NO9 1NO9 1NO9 1NO9 1NO9 De et al., 2003
mature  inhibitor 2.40 Å 1NRS 1NRS 1NRS 1NRS 1NRS 1NRS Mathews et al., 1994
mature  inhibitor 2.00 Å 1NT1 1NT1 1NT1 1NT1 1NT1 1NT1 Nantermet et al., 2003
mature  inhibitor 2.30 Å 1NY2 1NY2 1NY2 1NY2 1NY2 1NY2 Hasan et al., 2003
mature  inhibitor 1.58 Å 1O2G 1O2G 1O2G 1O2G 1O2G 1O2G Katz et al., 2003
mature  inhibitor 1.80 Å 1QBV 1QBV 1QBV 1QBV 1QBV 1QBV Bone et al., 1998
mature  inhibitor 2.20 Å 1QHR 1QHR 1QHR 1QHR 1QHR 1QHR Jhoti et al., 1999
mature  inhibitor 2.00 Å 1QJ1 1QJ1 1QJ1 1QJ1 1QJ1 1QJ1 Jhoti et al., 1999
mature  inhibitor 2.20 Å 1QJ6 1QJ6 1QJ6 1QJ6 1QJ6 1QJ6 Jhoti et al., 1999
mature  inhibitor 2.20 Å 1QJ7 1QJ7 1QJ7 1QJ7 1QJ7 1QJ7 Jhoti et al., 1999
complex with thrombin 2.04 Å 1RIW 1RIW 1RIW 1RIW 1RIW 1RIW Hanessian et al., 2004
mature  inhibitor 1.90 Å 1SB1 1SB1 1SB1 1SB1 1SB1 1SB1 Marinko et al., 2004
mature  inhibitor 1.81 Å 1SL3 1SL3 1SL3 1SL3 1SL3 1SL3 Young et al., 2004
mature  inhibitor 2.30 Å 1TA2 1TA2 1TA2 1TA2 1TA2 1TA2 Tucker et al., 1998
mature  inhibitor 1.90 Å 1TA6 1TA6 1TA6 1TA6 1TA6 1TA6 Tucker et al., 1998
mature  inhibitor 2.30 Å 1TMB 1TMB 1TMB 1TMB 1TMB 1TMB Maryanoff et al., 1993
mature  inhibitor 2.20 Å 1TMT 1TMT 1TMT 1TMT 1TMT 1TMT Priestle et al., 1993
mature  inhibitor 2.20 Å 1TMT 1TMT 1TMT 1TMT 1TMT 1TMT Priestle et al., 1993
mature  inhibitor 2.50 Å 1TMU 1TMU 1TMU 1TMU 1TMU 1TMU Priestle et al., 1993
mature  inhibitor 2.50 Å 1TMU 1TMU 1TMU 1TMU 1TMU 1TMU Priestle et al., 1993
mature  inhibitor 2.40 Å 1TWX 1TWX 1TWX 1TWX 1TWX 1TWX Pineda et al., 2004
mature  inhibitor 2.00 Å 1UMA 1UMA 1UMA 1UMA 1UMA 1UMA Nardini et al., 1996
mature  inhibitor 1.90 Å 1VR1 1VR1 1VR1 1VR1 1VR1 1VR1 Dekker et al., 1999
mature  inhibitor 1.54 Å 1VZQ 1VZQ 1VZQ 1VZQ 1VZQ 1VZQ
mature  inhibitor 1.65 Å 1W7G 1W7G 1W7G 1W7G 1W7G 1W7G Salvagnini et al., 2005
mature  inhibitor 2.02 Å 1WAY 1WAY 1WAY 1WAY 1WAY 1WAY Hartshorn et al., 2005
mature  inhibitor 2.20 Å 1WBG 1WBG 1WBG 1WBG 1WBG 1WBG Hartshorn et al., 2005
mature  inhibitor 2.30 Å 1XM1 1XM1 1XM1 1XM1 1XM1 1XM1
mature  inhibitor 1.81 Å 1YPE 1YPE 1YPE 1YPE 1YPE 1YPE Fokkens & Klebe, 2006
mature  inhibitor 1.80 Å 1YPG 1YPG 1YPG 1YPG 1YPG 1YPG Fokkens & Klebe, 2006
mature  inhibitor 1.78 Å 1YPJ 1YPJ 1YPJ 1YPJ 1YPJ 1YPJ Fokkens & Klebe, 2006
mature  inhibitor 1.78 Å 1YPK 1YPK 1YPK 1YPK 1YPK 1YPK Fokkens & Klebe, 2006
mature  inhibitor 1.85 Å 1YPL 1YPL 1YPL 1YPL 1YPL 1YPL Radau & Fokkens, 2007
mature  inhibitor 1.85 Å 1YPM 1YPM 1YPM 1YPM 1YPM 1YPM Radau & Fokkens, 2007
mature  inhibitor 1.90 Å 1ZRB 1ZRB 1ZRB 1ZRB 1ZRB 1ZRB Stauffer et al., 2005
human thrombin complex with fragment-based small molecules occupying the s1 pocket 1.25 Å 2BVR 2BVR 2BVR 2BVR 2BVR 2BVR
human thrombin complex with fragment-based small molecules occupying the s1 pocket 1.40 Å 2BVS 2BVS 2BVS 2BVS 2BVS 2BVS
design and discovery of novel, potent thrombin inhibitors with a solubilizing cationic p1-p2-linker 3.20 Å 2BVX 2BVX 2BVX 2BVX 2BVX 2BVX
design and discovery of novel, potent thrombin inhibitors with a solubilizing cationic p1-p2-linker 1.83 Å 2BXT 2BXT 2BXT 2BXT 2BXT 2BXT
design and discovery of novel, potent thrombin inhibitors with a solubilizing cationic p1-p2-linker 2.80 Å 2BXU 2BXU 2BXU 2BXU 2BXU 2BXU
mature  inhibitor 1.96 Å 2C8W 2C8W 2C8W 2C8W 2C8W 2C8W Howard et al., 2006
mature  inhibitor 2.17 Å 2C8X 2C8X 2C8X 2C8X 2C8X 2C8X Howard et al., 2006
mature  inhibitor 2.20 Å 2C8Y 2C8Y 2C8Y 2C8Y 2C8Y 2C8Y Howard et al., 2006
mature  inhibitor 2.14 Å 2C8Z 2C8Z 2C8Z 2C8Z 2C8Z 2C8Z Howard et al., 2006
mature  inhibitor 2.25 Å 2C90 2C90 2C90 2C90 2C90 2C90 Howard et al., 2006
mature  inhibitor 2.20 Å 2C93 2C93 2C93 2C93 2C93 2C93 Howard et al., 2006
mature  inhibitor 1.30 Å 2CF8 2CF8 2CF8 2CF8 2CF8 2CF8 Schweizer et al., 2006
mature  inhibitor 1.79 Å 2CF9 2CF9 2CF9 2CF9 2CF9 2CF9 Schweizer et al., 2006
mature  inhibitor 2.00 Å 2GDE 2GDE 2GDE 2GDE 2GDE 2GDE Hanessian et al., 2006
mature  inhibitor 2.20 Å 2HGT 2HGT 2HGT 2HGT 2HGT 2HGT Skrzypczak-Jankun et al., 1991
NMR structure 0.00 Å 2HIR 2HIR 2HIR 2HIR 2HIR 2HIR Folkers et al., 1989
mature  inhibitor 0.00 Å 2JOO 2JOO 2JOO 2JOO 2JOO 2JOO Song et al., 2007
mature  inhibitor 2.50 Å 2PKS 2PKS 2PKS 2PKS 2PKS 2PKS Blomberg et al., 2007
sulfo-hirudin; complex with thrombin 1.84 Å 2PW8 2PW8 2PW8 2PW8 2PW8 2PW8 Liu et al., 2007
mature  inhibitor 2.10 Å 2R2M 2R2M 2R2M 2R2M 2R2M 2R2M Lee et al., 2007
mature  inhibitor 1.26 Å 2UUF 2UUF 2UUF 2UUF 2UUF 2UUF Ahmed et al., 2007
mature  inhibitor 1.32 Å 2UUJ 2UUJ 2UUJ 2UUJ 2UUJ 2UUJ Ahmed et al., 2007
mature  inhibitor 1.39 Å 2UUK 2UUK 2UUK 2UUK 2UUK 2UUK Ahmed et al., 2007
mature  inhibitor 1.79 Å 2V3O 2V3O 2V3O 2V3O 2V3O 2V3O Muller et al., 2007
mature  inhibitor 1.58 Å 2ZC9 2ZC9 2ZC9 2ZC9 2ZC9 2ZC9 Baum et al., 2009
mature  inhibitor 1.73 Å 2ZDA 2ZDA 2ZDA 2ZDA 2ZDA 2ZDA Baum et al., 2009
mature  inhibitor 1.72 Å 2ZDV 2ZDV 2ZDV 2ZDV 2ZDV 2ZDV
mature  inhibitor 2.20 Å 2ZF0 2ZF0 2ZF0 2ZF0 2ZF0 2ZF0
mature  inhibitor 1.47 Å 2ZFF 2ZFF 2ZFF 2ZFF 2ZFF 2ZFF
mature  inhibitor 2.25 Å 2ZFP 2ZFP 2ZFP 2ZFP 2ZFP 2ZFP Baum et al., 2009
mature  inhibitor 1.80 Å 2ZFQ 2ZFQ 2ZFQ 2ZFQ 2ZFQ 2ZFQ
mature  inhibitor 1.85 Å 2ZFR 2ZFR 2ZFR 2ZFR 2ZFR 2ZFR
mature  inhibitor 1.75 Å 2ZG0 2ZG0 2ZG0 2ZG0 2ZG0 2ZG0
mature  inhibitor 1.60 Å 2ZGB 2ZGB 2ZGB 2ZGB 2ZGB 2ZGB Baum et al., 2010
mature  inhibitor 1.80 Å 2ZGX 2ZGX 2ZGX 2ZGX 2ZGX 2ZGX Baum et al., 2009
mature  inhibitor 2.10 Å 2ZHE 2ZHE 2ZHE 2ZHE 2ZHE 2ZHE
mature  inhibitor 1.98 Å 2ZHF 2ZHF 2ZHF 2ZHF 2ZHF 2ZHF
mature  inhibitor 1.96 Å 2ZHQ 2ZHQ 2ZHQ 2ZHQ 2ZHQ 2ZHQ Baum et al., 2010
mature  inhibitor 2.02 Å 2ZHW 2ZHW 2ZHW 2ZHW 2ZHW 2ZHW
mature  inhibitor 1.65 Å 2ZI2 2ZI2 2ZI2 2ZI2 2ZI2 2ZI2 Baum et al., 2010
mature  inhibitor 1.65 Å 2ZIQ 2ZIQ 2ZIQ 2ZIQ 2ZIQ 2ZIQ
mature  inhibitor 1.80 Å 2ZNK 2ZNK 2ZNK 2ZNK 2ZNK 2ZNK Baum et al., 2010
mature  inhibitor 1.70 Å 2ZO3 2ZO3 2ZO3 2ZO3 2ZO3 2ZO3 Baum et al., 2009
mature  inhibitor 2.30 Å 3BIU 3BIU 3BIU 3BIU 3BIU 3BIU Gerlach et al., 2007
HUMAN THROMBIN-IN COMPLEX WITH UB-THR11 1.80 Å 3BIV 3BIV 3BIV 3BIV 3BIV 3BIV
mature  inhibitor 1.50 Å 3D49 3D49 3D49 3D49 3D49 3D49
mature  inhibitor 1.73 Å 3DHK 3DHK 3DHK 3DHK 3DHK 3DHK Baum et al., 2009
mature  inhibitor 2.40 Å 3DT0 3DT0 3DT0 3DT0 3DT0 3DT0
mature  inhibitor 1.60 Å 3DUX 3DUX 3DUX 3DUX 3DUX 3DUX Baum et al., 2009
mature  inhibitor 2.20 Å 3EGK 3EGK 3EGK 3EGK 3EGK 3EGK Gerlach et al., 2007
mature  inhibitor 1.53 Å 3EQ0 3EQ0 3EQ0 3EQ0 3EQ0 3EQ0
mature  inhibitor 1.75 Å 3F68 3F68 3F68 3F68 3F68 3F68 Baum et al., 2009
mature  inhibitor 2.50 Å 3HAT 3HAT 3HAT 3HAT 3HAT 3HAT Mathews & Tulinsky, 1995
complex with alpha-thrombin 2.30 Å 3HTC 3HTC 3HTC 3HTC 3HTC 3HTC Rydel et al., 1990
mature  inhibitor 2.25 Å 3LDX 3LDX 3LDX 3LDX 3LDX 3LDX
mature  inhibitor 1.43 Å 3P17 3P17 3P17 3P17 3P17 3P17 Biela et al., 2012
mature  inhibitor 1.52 Å 3QTO 3QTO 3QTO 3QTO 3QTO 3QTO Biela et al., 2012
mature  inhibitor 1.63 Å 3QTV 3QTV 3QTV 3QTV 3QTV 3QTV Biela et al., 2012
mature  inhibitor 1.75 Å 3QWC 3QWC 3QWC 3QWC 3QWC 3QWC Biela et al., 2012
mature  inhibitor 1.35 Å 3QX5 3QX5 3QX5 3QX5 3QX5 3QX5 Biela et al., 2012
mature  inhibitor 1.69 Å 3RLW 3RLW 3RLW 3RLW 3RLW 3RLW
mature  inhibitor 1.51 Å 3RLY 3RLY 3RLY 3RLY 3RLY 3RLY
mature  inhibitor 1.34 Å 3RM0 3RM0 3RM0 3RM0 3RM0 3RM0
mature  inhibitor 1.23 Å 3RM2 3RM2 3RM2 3RM2 3RM2 3RM2
mature  inhibitor 1.53 Å 3RML 3RML 3RML 3RML 3RML 3RML
mature  inhibitor 1.58 Å 3RMM 3RMM 3RMM 3RMM 3RMM 3RMM
mature  inhibitor 1.78 Å 3RMN 3RMN 3RMN 3RMN 3RMN 3RMN
mature  inhibitor 1.40 Å 3RMO 3RMO 3RMO 3RMO 3RMO 3RMO
mature  inhibitor 1.52 Å 3SHA 3SHA 3SHA 3SHA 3SHA 3SHA Biela et al., 2012
mature  inhibitor 1.90 Å 3SHC 3SHC 3SHC 3SHC 3SHC 3SHC Biela et al., 2012
mature  inhibitor 1.55 Å 3SI3 3SI3 3SI3 3SI3 3SI3 3SI3 Biela et al., 2012
mature  inhibitor 1.27 Å 3SI4 3SI4 3SI4 3SI4 3SI4 3SI4 Biela et al., 2012
mature  inhibitor 1.30 Å 3SV2 3SV2 3SV2 3SV2 3SV2 3SV2 Biela et al., 2012
mature  inhibitor 1.45 Å 3T5F 3T5F 3T5F 3T5F 3T5F 3T5F
mature  inhibitor 2.49 Å 3TU7 3TU7 3TU7 3TU7 3TU7 3TU7 Das et al., 2002
mature  inhibitor 1.45 Å 3U98 3U98 3U98 3U98 3U98 3U98
mature  inhibitor 1.58 Å 3U9A 3U9A 3U9A 3U9A 3U9A 3U9A
mature  inhibitor 1.55 Å 3UTU 3UTU 3UTU 3UTU 3UTU 3UTU Steinmetzer et al., 2012
mature  inhibitor 1.50 Å 3UWJ 3UWJ 3UWJ 3UWJ 3UWJ 3UWJ
mature  inhibitor 1.25 Å 3VXE 3VXE 3VXE 3VXE 3VXE 3VXE Yamada et al., 2013
mature  inhibitor 1.60 Å 3VXF 3VXF 3VXF 3VXF 3VXF 3VXF Yamada et al., 2013
mature  inhibitor 1.90 Å 4AX9 4AX9 4AX9 4AX9 4AX9 4AX9 Hilpert et al., 1994
mature  inhibitor 2.80 Å 4AYV 4AYV 4AYV 4AYV 4AYV 4AYV Hilpert et al., 1994
mature  inhibitor 2.60 Å 4AYY 4AYY 4AYY 4AYY 4AYY 4AYY Hilpert et al., 1994
mature  inhibitor 2.60 Å 4AZ2 4AZ2 4AZ2 4AZ2 4AZ2 4AZ2 Hilpert et al., 1994
mature  inhibitor 1.94 Å 4BAH 4BAH 4BAH 4BAH 4BAH 4BAH Winquist et al., 2013
mature  inhibitor 1.94 Å 4BAK 4BAK 4BAK 4BAK 4BAK 4BAK Winquist et al., 2013
mature  inhibitor 1.88 Å 4BAM 4BAM 4BAM 4BAM 4BAM 4BAM Winquist et al., 2013
mature  inhibitor 1.87 Å 4BAN 4BAN 4BAN 4BAN 4BAN 4BAN Winquist et al., 2013
mature  inhibitor 1.87 Å 4BAO 4BAO 4BAO 4BAO 4BAO 4BAO Winquist et al., 2013
mature  inhibitor 1.89 Å 4BAQ 4BAQ 4BAQ 4BAQ 4BAQ 4BAQ Winquist et al., 2013
mature  inhibitor 2.25 Å 4E7R 4E7R 4E7R 4E7R 4E7R 4E7R
NMR structure; Lys47Glu mutant 0.00 Å 4HIR 4HIR 4HIR 4HIR 4HIR 4HIR Folkers et al., 1989
complex with human thrombin 2.30 Å 4HTC 4HTC 4HTC 4HTC 4HTC 4HTC Rydel et al., 1991
mature  inhibitor 1.77 Å 4LOY 4LOY 4LOY 4LOY 4LOY 4LOY Meneyrol et al., 2013
mature  inhibitor 1.61 Å 4LXB 4LXB 4LXB 4LXB 4LXB 4LXB Meneyrol et al., 2013
mature  inhibitor 2.20 Å 4MLF 4MLF 4MLF 4MLF 4MLF 4MLF Vogt et al., 2014
mature  inhibitor 1.94 Å 4N3L 4N3L 4N3L 4N3L 4N3L 4N3L Belviso et al., 2014
mature  inhibitor 1.98 Å 4NZE 4NZE 4NZE 4NZE 4NZE 4NZE Belviso et al., 2014
mature  inhibitor 1.12 Å 4UD9 4UD9 4UD9 4UD9 4UD9 4UD9 Ruhmann et al., 2015
mature  inhibitor 1.16 Å 4UDW 4UDW 4UDW 4UDW 4UDW 4UDW Ruhmann et al., 2015
mature  inhibitor 1.13 Å 4UE7 4UE7 4UE7 4UE7 4UE7 4UE7 Ruhmann et al., 2015
mature  inhibitor 1.16 Å 4UEH 4UEH 4UEH 4UEH 4UEH 4UEH Ruhmann et al., 2015
thrombin in complex with 4-(((1-((2s)-1-((2r)-2-( benzylsulfonylamino)-3-phenyl-propanoyl)pyrrolidin-2-yl)-1- oxo-ethyl)amino)methyl)benzamidine 1.43 Å 4UFD 4UFD 4UFD 4UFD 4UFD 4UFD
thrombin in complex with (2r)-2-(benzylsulfonylamino)-n-(2-( (4-carbamimidoylphenyl)methylamino)-2-oxo-butyl)-3-phenyl- propanamide 1.59 Å 4UFE 4UFE 4UFE 4UFE 4UFE 4UFE
thrombin in complex with (2r)-2-(benzylsulfonylamino)-n-(2-( (4-carbamimidoylphenyl)methylamino)-2-oxo-ethyl)-n-methyl- 3-phenyl-propanamide 1.55 Å 4UFF 4UFF 4UFF 4UFF 4UFF 4UFF
thrombin in complex with (2r)-2-(benzylsulfonylamino)-n-(( 1s)-2-((4-carbamimidoylphenyl)methylamino)-1-methyl-2-oxo- ethyl)-n-methyl-3-phenyl-propanamide ethane 1.65 Å 4UFG 4UFG 4UFG 4UFG 4UFG 4UFG
mature  inhibitor 1.50 Å 4YES 4YES 4YES 4YES 4YES 4YES Chobanian et al., 2015
thrombin inhibitor 1.40 Å 5A2M 5A2M 5A2M 5A2M 5A2M 5A2M
mature  inhibitor 1.18 Å 5AF9 5AF9 5AF9 5AF9 5AF9 5AF9 Ruhmann et al., 2015
NMR structure; Lys47Glu mutant 0.00 Å 5HIR 5HIR 5HIR 5HIR 5HIR 5HIR Folkers et al., 1989
thrombin in complex with (s)-n-(2-(aminomethyl)-5-chlorobenzyl)-1- ((benzylsulfonyl)-d-arginyl)pyrrolidine-2-carboxamide 1.46 Å 5JFD 5JFD 5JFD 5JFD 5JFD 5JFD
thrombin in complex with (s)-1-((r)-2-amino-3-cyclohexylpropanoyl)-n- (4-carbamimidoylbenzyl)pyrrolidine-2-carboxamide 1.27 Å 5JZY 5JZY 5JZY 5JZY 5JZY 5JZY
thrombin in complex with (s)-1-((r)-2-amino-3-cyclohexylpropanoyl)-n- (5-chloro-2-(hydroxymethyl)benzy l)pyrrolidine-2-carboxamide 1.39 Å 5LCE 5LCE 5LCE 5LCE 5LCE 5LCE
thrombin in complex with (s)-1-((r)-2-amino-3-cyclohexylpropanoyl)-n- (2-(aminomethyl)-5-chlorobenzyl) pyrrolidine-2-carboxamide 1.50 Å 5LPD 5LPD 5LPD 5LPD 5LPD 5LPD
thrombin mutant a190s in complex with (s) -1 - ((r) -2-amino-3,3- diphenylpropanoyl) -n- (3-chlorobenzyl) pyrrolidine-2-carboxamide 1.40 Å 5MJT 5MJT 5MJT 5MJT 5MJT 5MJT
thrombin mutant a190s in complex with (s)-1-(d-phenylalanyl)-n-(3- chlorobenzyl)pyrrolidine-2-carboxamide 1.62 Å 5MLS 5MLS 5MLS 5MLS 5MLS 5MLS
thrombin mutant a190s in complex with (s)-1-(d-phenylalanyl)-n-(4- carbamimidoylbenzyl)pyrrolidine-2-carboxamide 1.29 Å 5MM6 5MM6 5MM6 5MM6 5MM6 5MM6
complex with thrombin 1.94 Å 6EO8 6EO8 6EO8 6EO8 6EO8 6EO8
complex with thrombin 1.84 Å 6EO9 6EO9 6EO9 6EO9 6EO9 6EO9
thrombin in complex with mi2100 ((s)-n-(2-(aminomethyl)-5- chlorobenzyl)-1-((benzylsulfonyl)-l-arginyl)pyrrolidine-2- carboxamide) 1.45 Å 6GBW 6GBW 6GBW 6GBW 6GBW 6GBW
NMR structure; Lys47Glu mutant 0.00 Å 6HIR 6HIR 6HIR 6HIR 6HIR 6HIR Folkers et al., 1989

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