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7R9W
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BU of 7r9w by Molmil
LC3A in complex with Fragment 1-1
Descriptor: 4-phenoxybenzoic acid, GLYCEROL, Microtubule-associated proteins 1A/1B light chain 3A
Authors:Rouge, L, Steffek, M, Helgason, E, Dueber, E, Mulvihill, M.
Deposit date:2021-06-29
Release date:2022-01-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A Multifaceted Hit-Finding Approach Reveals Novel LC3 Family Ligands.
Biochemistry, 62, 2023
7R9Z
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BU of 7r9z by Molmil
LC3A in complex with Fragment 2-3
Descriptor: (5-fluoro-1H-indol-3-yl)acetic acid, Microtubule-associated proteins 1A/1B light chain 3A
Authors:Rouge, L, Steffek, M, Helgason, E, Dueber, E, Mulvihill, M.
Deposit date:2021-06-29
Release date:2022-01-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:A Multifaceted Hit-Finding Approach Reveals Novel LC3 Family Ligands.
Biochemistry, 62, 2023
7RA0
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BU of 7ra0 by Molmil
LC3A in complex with Fragment 2-10
Descriptor: (5-ethyl-2-methyl-1H-indol-3-yl)acetic acid, Microtubule-associated proteins 1A/1B light chain 3A
Authors:Rouge, L, Steffek, M, Helgason, E, Dueber, E, Mulvihill, M.
Deposit date:2021-06-29
Release date:2022-01-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:A Multifaceted Hit-Finding Approach Reveals Novel LC3 Family Ligands.
Biochemistry, 62, 2023
8QSO
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BU of 8qso by Molmil
Crystal structure of human Mcl-1 in complex with compound 1
Descriptor: (13S,16R,19S)-16-benzyl-43-ethoxy-N-methyl-7,11,14,17-tetraoxo-13-phenyl-5-oxa-2,8,12,15,18-pentaaza-1(1,4),4(1,2)-dibenzena-9(1,4)-cyclohexanacycloicosaphane-19-carboxamide, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Hekking, K.F.W, Gremmen, S, Maroto, S, Keefe, A.D, Zhang, Y.
Deposit date:2023-10-10
Release date:2024-02-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.106 Å)
Cite:Development of Potent Mcl-1 Inhibitors: Structural Investigations on Macrocycles Originating from a DNA-Encoded Chemical Library Screen.
J.Med.Chem., 67, 2024
6W35
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BU of 6w35 by Molmil
A new Autotaxin Inhibitor for the Treatment of Idiopathic Pulmonary Fibrosis: A Clinical Candidate Discovered Using DNA-Encoded Chemistry
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-fluoranyl-~{N}-[(2~{R})-1-[1-(2~{H}-indazol-5-yl)-3-methyl-2,4-bis(oxidanylidene)-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-5-(trifluoromethyl)benzamide, CALCIUM ION, ...
Authors:Cuozzo, J.W.
Deposit date:2020-03-09
Release date:2020-07-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Novel Autotaxin Inhibitor for the Treatment of Idiopathic Pulmonary Fibrosis: A Clinical Candidate Discovered Using DNA-Encoded Chemistry.
J.Med.Chem., 63, 2020

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数据于2024-07-10公开中

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