PDB Search results for query - Protein Data Bank Japan

PDB: 3 results

Core Catalytic Domain of HIV Integrase in complex with virtual screening hit
Descriptor:	Integrase, [3-(4-chlorophenyl)[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid
Authors:	Klein, D.J, Sanders, J.M.
Deposit date:	2020-01-24
Release date:	2020-05-13
Last modified:	2024-03-06
Method:	X-RAY DIFFRACTION (2.32 Å)
Cite:	Augmenting Hit Identification by Virtual Screening Techniques in Small Molecule Drug Discovery. J.Chem.Inf.Model., 60, 2020

Factor XIa in complex with compound 11
Descriptor:	1-carbamimidamido-4-chloro-N-[(2R)-3-methyl-1-(morpholin-4-yl)-1-oxobutan-2-yl]isoquinoline-7-sulfonamide, CITRATE ANION, Coagulation factor XIa light chain
Authors:	Lesburg, C.A.
Deposit date:	2020-01-27
Release date:	2020-05-06
Last modified:	2020-10-07
Method:	X-RAY DIFFRACTION (1.72 Å)
Cite:	Augmenting Hit Identification by Virtual Screening Techniques in Small Molecule Drug Discovery. J.Chem.Inf.Model., 60, 2020

Factor XIa in complex with compound 7
Descriptor:	CITRIC ACID, Coagulation factor XIa light chain, N-cyclohexyl-D-leucyl-N-[(1-aminoisoquinolin-6-yl)methyl]-4,4-difluoro-L-prolinamide
Authors:	Lesburg, C.A, Fradera, X.
Deposit date:	2020-01-27
Release date:	2020-05-06
Last modified:	2020-10-07
Method:	X-RAY DIFFRACTION (1.6 Å)
Cite:	Augmenting Hit Identification by Virtual Screening Techniques in Small Molecule Drug Discovery. J.Chem.Inf.Model., 60, 2020