PDBsum entry 4yjn

Transferase/transferase inhibitor

PDB id: 4yjn

Contents

Protein chain

460 a.a.

Ligands

UW4

Waters ×29

PDB id:

4yjn

Name:

Transferase/transferase inhibitor

Title:

Calcium-dependent protein kinase 1 from toxoplasma gondii (tgcdpk1) in complex with inhibitor uw1639

Structure:

Calmodulin-domain protein kinase 1. Chain: a. Fragment: unp residues 30-507. Engineered: yes

Source:

Toxoplasma gondii. Organism_taxid: 5811. Gene: cdpk1. Expressed in: escherichia coli. Expression_system_taxid: 469008.

Resolution:

2.60Å R-factor: 0.216 R-free: 0.249

Authors:

E.A.Merritt

Key ref:

W.Huang et al. (2015). SAR Studies of 5-Aminopyrazole-4-carboxamide Analogues as Potent and Selective Inhibitors of Toxoplasma gondii CDPK1. Acs Med Chem Lett, 6, 1184-1189. PubMed id: 26693272 DOI: 10.1021/acsmedchemlett.5b00319

Date:

03-Mar-15 Release date: 25-Nov-15

Protein chain

Q9BJF5  (Q9BJF5_TOXGO) -  Calmodulin-domain protein kinase 1 from Toxoplasma gondii

Seq: 507 a.a.

Struc: 460 a.a.

Enzyme reactions

• Enzyme class: E.C.?

DOI no: 10.1021/acsmedchemlett.5b00319

Acs Med Chem Lett 6:1184-1189 (2015)

PubMed id: 26693272

SAR Studies of 5-Aminopyrazole-4-carboxamide Analogues as Potent and Selective Inhibitors of Toxoplasma gondii CDPK1.

W.Huang, K.K.Ojo, Z.Zhang, K.Rivas, R.S.Vidadala, S.Scheele, A.E.DeRocher, R.Choi, M.A.Hulverson, L.K.Barrett, I.Bruzual, L.K.Siddaramaiah, K.M.Kerchner, M.D.Kurnick, G.M.Freiberg, D.Kempf, W.G.Hol, E.A.Merritt, G.Neckermann, E.L.de Hostos, N.Isoherranen, D.J.Maly, M.Parsons, J.S.Doggett, W.C.Van Voorhis, E.Fan.

ABSTRACT

No abstract given.