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PDBsum entry 5fh7
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Transcription
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PDB id
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5fh7
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PDB id:
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| Name: |
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Transcription
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Title:
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Crystal structure of the fifth bromodomain of human pb1 in complex with compound 18
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Structure:
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Protein polybromo-1. Chain: a, b. Synonym: hpb1,brg1-associated factor 180,baf180,polybromo-1d. Engineered: yes
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Source:
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Homo sapiens. Human. Organism_taxid: 9606. Gene: pbrm1, baf180, pb1. Expressed in: escherichia coli. Expression_system_taxid: 562.
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Resolution:
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1.47Å
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R-factor:
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0.188
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R-free:
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0.209
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Authors:
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C.Tallant,C.L.Sutherell,P.Siejka,F.J.Sorrell,T.Krojer,S.Picaud, O.Fedorov,F.Von Delft,C.H.Arrowsmith,A.M.Edwards,C.Bountra, P.E.Brennan,S.V.Ley,S.Knapp
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Key ref:
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C.L.Sutherell
et al.
(2016).
Identification and Development of 2,3-Dihydropyrrolo[1,2-a]quinazolin-5(1H)-one Inhibitors Targeting Bromodomains within the Switch/Sucrose Nonfermenting Complex.
J Med Chem,
59,
5095-5101.
PubMed id:
DOI:
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Date:
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21-Dec-15
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Release date:
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01-Jun-16
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PROCHECK
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Headers
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References
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Q86U86
(PB1_HUMAN) -
Protein polybromo-1 from Homo sapiens
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Seq:
Struc:
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1689 a.a.
115 a.a.
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Key: |
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PfamA domain |
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Secondary structure |
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CATH domain |
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DOI no:
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J Med Chem
59:5095-5101
(2016)
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PubMed id:
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Identification and Development of 2,3-Dihydropyrrolo[1,2-a]quinazolin-5(1H)-one Inhibitors Targeting Bromodomains within the Switch/Sucrose Nonfermenting Complex.
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C.L.Sutherell,
C.Tallant,
O.P.Monteiro,
C.Yapp,
J.E.Fuchs,
O.Fedorov,
P.Siejka,
S.Müller,
S.Knapp,
J.D.Brenton,
P.E.Brennan,
S.V.Ley.
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ABSTRACT
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Bromodomain containing proteins PB1, SMARCA4, and SMARCA2 are important
components of SWI/SNF chromatin remodeling complexes. We identified bromodomain
inhibitors that target these proteins and display unusual binding modes
involving water displacement from the KAc binding site. The best compound binds
the fifth bromodomain of PB1 with a KD of 124 nM, SMARCA2B and SMARCA4 with KD
values of 262 and 417 nM, respectively, and displays excellent selectivity over
bromodomains other than PB1, SMARCA2, and SMARCA4.
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