7XR5
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![BU of 7xr5 by Molmil](/molmil-images/mine/7xr5) | Crystal structure of imine reductase with NAPDH from Streptomyces albidoflavus | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57-nonadecaoxanonapentacontane-1,59-diol, 6-phosphogluconate dehydrogenase NAD-binding, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zhang, J, Chen, R.C, Gao, S.S. | Deposit date: | 2022-05-09 | Release date: | 2022-10-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Actinomycetes-derived imine reductases with a preference towards bulky amine substrates. Commun Chem, 5, 2022
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8T6F
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![BU of 8t6f by Molmil](/molmil-images/mine/8t6f) | Crystal structure of human MBP-Myeloid cell leukemia 1 (Mcl-1) in complex with BRD810 inhibitor | Descriptor: | (3aM,9S,15R)-4-chloro-3-ethyl-7-{3-[(6-fluoronaphthalen-1-yl)oxy]propyl}-2-methyl-15-[2-(morpholin-4-yl)ethyl]-2,10,11,12,13,15-hexahydropyrazolo[4',3':9,10][1,6]oxazacycloundecino[8,7,6-hi]indole-8-carboxylic acid, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | Authors: | Poncet-Montange, G, Lemke, C.T. | Deposit date: | 2023-06-15 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | BRD810 is a novel highly selective MCL1 inhibitor with optimized in vivo clearance and robust efficacy in solid and hematological tumor models to be published
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4WMW
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![BU of 4wmw by Molmil](/molmil-images/mine/4wmw) | The structure of MBP-MCL1 bound to ligand 5 at 1.9A | Descriptor: | 1,2-ETHANEDIOL, 2-hydroxy-5-(methylsulfanyl)benzoic acid, FORMIC ACID, ... | Authors: | Clifton, M.C, Dranow, D.M. | Deposit date: | 2014-10-09 | Release date: | 2015-05-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1. Plos One, 10, 2015
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4WMS
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![BU of 4wms by Molmil](/molmil-images/mine/4wms) | STRUCTURE OF APO MBP-MCL1 AT 1.9A | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, MAGNESIUM ION, ... | Authors: | Clifton, M.C, Dranow, D.M. | Deposit date: | 2014-10-09 | Release date: | 2015-05-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1. Plos One, 10, 2015
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4WMR
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![BU of 4wmr by Molmil](/molmil-images/mine/4wmr) | STRUCTURE OF MCL1 BOUND TO BRD inhibitor ligand 1 AT 1.7A | Descriptor: | 7-[2-(1H-imidazol-1-yl)-4-methylpyridin-3-yl]-3-[3-(naphthalen-1-yloxy)propyl]-1-[2-oxo-2-(piperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1, PYROPHOSPHATE 2-, ... | Authors: | CLIFTON, M.C, EDWARDS, T.E. | Deposit date: | 2014-10-09 | Release date: | 2015-05-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1. Plos One, 10, 2015
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4WMX
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![BU of 4wmx by Molmil](/molmil-images/mine/4wmx) | The structure of MBP-MCL1 bound to ligand 6 at 2.0A | Descriptor: | 4-ethenyl-2-[(phenylsulfonyl)amino]benzoic acid, FORMIC ACID, MAGNESIUM ION, ... | Authors: | Clifton, M.C, Dranow, D.M. | Deposit date: | 2014-10-09 | Release date: | 2015-05-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1. Plos One, 10, 2015
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4WMV
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![BU of 4wmv by Molmil](/molmil-images/mine/4wmv) | STRUCTURE OF MBP-MCL1 BOUND TO ligand 4 AT 2.4A | Descriptor: | 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Clifton, M.C, Moulin, A. | Deposit date: | 2014-10-09 | Release date: | 2015-05-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1. Plos One, 10, 2015
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4WMT
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![BU of 4wmt by Molmil](/molmil-images/mine/4wmt) | STRUCTURE OF MBP-MCL1 BOUND TO ligand 1 AT 2.35A | Descriptor: | 1,2-ETHANEDIOL, 7-[2-(1H-imidazol-1-yl)-4-methylpyridin-3-yl]-3-[3-(naphthalen-1-yloxy)propyl]-1-[2-oxo-2-(piperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid, FORMIC ACID, ... | Authors: | Clifton, M.C, Dranow, D.M. | Deposit date: | 2014-10-09 | Release date: | 2015-05-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1. Plos One, 10, 2015
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4WMU
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![BU of 4wmu by Molmil](/molmil-images/mine/4wmu) | STRUCTURE OF MBP-MCL1 BOUND TO ligand 2 AT 1.55A | Descriptor: | 1,2-ETHANEDIOL, 6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indole-2-carboxylic acid, FORMIC ACID, ... | Authors: | Clifton, M.C, Faiman, J.W. | Deposit date: | 2014-10-09 | Release date: | 2015-05-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1. Plos One, 10, 2015
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6VKV
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![BU of 6vkv by Molmil](/molmil-images/mine/6vkv) | |
6VWS
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![BU of 6vws by Molmil](/molmil-images/mine/6vws) | Hexamer of Helical HIV capsid by RASTR method | Descriptor: | HIV capsid protein | Authors: | Zhao, H, Iqbal, N, Asturias, F, Kvaratskhelia, M, Vanblerkom, P. | Deposit date: | 2020-02-20 | Release date: | 2020-10-21 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (6.08 Å) | Cite: | Structural and mechanistic bases for a potent HIV-1 capsid inhibitor. Science, 370, 2020
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5KVT
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![BU of 5kvt by Molmil](/molmil-images/mine/5kvt) | THE STRUCTURE OF TRKA KINASE DOMAIN BOUND TO THE INHIBITOR ENTRECTINIB | Descriptor: | Entrectinib, GLYCEROL, High affinity nerve growth factor receptor | Authors: | Jin, L, Yan, S, Wei, G, Li, G, Harris, J, Vernier, J.-M. | Deposit date: | 2016-07-15 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Antitumor Activity and Safety of the Pan-TRK, ROS1, and ALK inhibitor Entrectinib (RXDX-101): Combined Results from Two Phase I Trials To Be Published
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7RAR
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![BU of 7rar by Molmil](/molmil-images/mine/7rar) | |
7RJ4
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![BU of 7rj4 by Molmil](/molmil-images/mine/7rj4) | |
7RJ2
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![BU of 7rj2 by Molmil](/molmil-images/mine/7rj2) | |
7RHN
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![BU of 7rhn by Molmil](/molmil-images/mine/7rhn) | |
7RHM
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![BU of 7rhm by Molmil](/molmil-images/mine/7rhm) | |
7RMJ
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![BU of 7rmj by Molmil](/molmil-images/mine/7rmj) | Disulfide stabilized HIV-1 CA hexamer in complex with capsid inhibitor (S)-N-(1-(3-(4-chloro-3-(methylsulfonamido)-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl)-6-(3-methyl-3-(methylsulfonyl)but-1-yn-1-yl)pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-(3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetamide | Descriptor: | CAPSID PROTEIN P24, CHLORIDE ION, IODIDE ION, ... | Authors: | Bester, S.M, Kvaratskhelia, M. | Deposit date: | 2021-07-27 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir. Mbio, 13, 2022
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7RMM
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![BU of 7rmm by Molmil](/molmil-images/mine/7rmm) | |
7SNL
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![BU of 7snl by Molmil](/molmil-images/mine/7snl) | Disulfide stabilized HIV-1 CA hexamer in complex with capsid inhibitor N-(1-(3-(4-chloro-1-methyl-3-(methylsulfonamido)-1H-indazol-7-yl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-(3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetamide | Descriptor: | CHLORIDE ION, Capsid protein p24, IODIDE ION, ... | Authors: | Bester, S.M, Kvaratskhelia, M. | Deposit date: | 2021-10-28 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Disulfide stabilized HIV-1 CA hexamer in complex with capsid inhibitor N-(1-(3-(4-chloro-1-methyl-3-(methylsulfonamido)-1H-indazol-7-yl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-(3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetamide To Be Published
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7SNN
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![BU of 7snn by Molmil](/molmil-images/mine/7snn) | Disulfide stabilized HIV-1 CA hexamer in complex with capsid inhibitor N-(1-(3-(4-chloro-1-methyl-3-(methylsulfonamido)-1H-indazol-7-yl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-(3-(difluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl)acetamide | Descriptor: | CHLORIDE ION, Capsid protein p24, IODIDE ION, ... | Authors: | Bester, S.M, Kvaratskhelia, M. | Deposit date: | 2021-10-28 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Disulfide stabilized HIV-1 CA hexamer in complex with capsid inhibitor N-(1-(3-(4-chloro-1-methyl-3-(methylsulfonamido)-1H-indazol-7-yl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-(3-(difluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl)acetamide To Be Published
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3IWY
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![BU of 3iwy by Molmil](/molmil-images/mine/3iwy) | |
3FVM
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![BU of 3fvm by Molmil](/molmil-images/mine/3fvm) | Crystal structure of Steptococcus suis mannonate dehydratase with metal Mn++ | Descriptor: | MANGANESE (II) ION, Mannonate dehydratase | Authors: | Peng, H, Zhang, Q.J, Gao, F, Liu, Y, Gao, F.G. | Deposit date: | 2009-01-16 | Release date: | 2009-09-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structures of Streptococcus suis mannonate dehydratase (ManD) and its complex with substrate: genetic and biochemical evidence for a catalytic mechanism J.Bacteriol., 191, 2009
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3DBN
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![BU of 3dbn by Molmil](/molmil-images/mine/3dbn) | Crystal structure of the Streptoccocus suis serotype2 D-mannonate dehydratase in complex with its substrate | Descriptor: | D-MANNONIC ACID, MANGANESE (II) ION, Mannonate dehydratase | Authors: | Peng, H, Zhang, Q, Gao, F, Gao, G.F. | Deposit date: | 2008-06-02 | Release date: | 2009-06-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structures of Streptococcus suis mannonate dehydratase (ManD) and its complex with substrate: genetic and biochemical evidence for a catalytic mechanism J.Bacteriol., 191, 2009
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7XE8
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![BU of 7xe8 by Molmil](/molmil-images/mine/7xe8) | |