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PDB: 3 results

6VLV
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BU of 6vlv by Molmil
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
6VLM
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BU of 6vlm by Molmil
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
6VLU
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BU of 6vlu by Molmil
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

222624

数据于2024-07-17公开中

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