8GTN
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8GTJ
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8OVZ
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![BU of 8ovz by Molmil](/molmil-images/mine/8ovz) | Crystal structure of D1228V c-MET bound by compound 16 | Descriptor: | 1-[(1S)-1-[3-(1H-imidazol-4-yl)phenyl]ethyl]-5-(1H-indazol-7-yl)pyrimidine-2,4-dione, Hepatocyte growth factor receptor, IODIDE ION | Authors: | Collie, G.W. | Deposit date: | 2023-04-26 | Release date: | 2023-07-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.206 Å) | Cite: | Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor. J.Med.Chem., 66, 2023
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5WQ6
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![BU of 5wq6 by Molmil](/molmil-images/mine/5wq6) | Crystal Structure of hMNDA-PYD with MBP tag | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, MBP tagged hMNDA-PYD, ... | Authors: | Jin, T.C, Xiao, T.S. | Deposit date: | 2016-11-23 | Release date: | 2017-02-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.648 Å) | Cite: | Design of an expression system to enhance MBP-mediated crystallization Sci Rep, 7, 2017
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5YEI
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![BU of 5yei by Molmil](/molmil-images/mine/5yei) | Mechanistic insight into the regulation of Pseudomonas aeruginosa aspartate kinase | Descriptor: | Aspartokinase, GLYCEROL, LYSINE, ... | Authors: | Li, C, Yang, M, Liu, L, Peng, C, Li, T, He, L, Song, Y, Zhu, Y, Bao, R. | Deposit date: | 2017-09-17 | Release date: | 2018-08-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Mechanistic insights into the allosteric regulation of Pseudomonas aeruginosa aspartate kinase. Biochem.J., 475, 2018
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5I86
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![BU of 5i86 by Molmil](/molmil-images/mine/5i86) | Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02778174 | Descriptor: | (4R)-N-benzyl-4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-6-carboxamide, 1,2-ETHANEDIOL, CREB-binding protein, ... | Authors: | Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F. | Deposit date: | 2016-02-18 | Release date: | 2016-04-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637). Acs Med.Chem.Lett., 7, 2016
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6JL7
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6U4M
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![BU of 6u4m by Molmil](/molmil-images/mine/6u4m) | Solution structure of paxillin LIM4 | Descriptor: | Paxillin, ZINC ION | Authors: | Zhu, L, Qin, J. | Deposit date: | 2019-08-26 | Release date: | 2019-10-23 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Basis of Paxillin Recruitment by Kindlin-2 in Regulating Cell Adhesion. Structure, 27, 2019
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6NAE
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7E1Q
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![BU of 7e1q by Molmil](/molmil-images/mine/7e1q) | Crystal structure of dehydrogenase/isomerase FabX from Helicobacter pylori | Descriptor: | 2-nitropropane dioxygenase, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | Authors: | Zhou, J.S, Zhang, L, Zhang, L. | Deposit date: | 2021-02-03 | Release date: | 2021-12-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Helicobacter pylori FabX contains a [4Fe-4S] cluster essential for unsaturated fatty acid synthesis. Nat Commun, 12, 2021
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7E1R
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![BU of 7e1r by Molmil](/molmil-images/mine/7e1r) | Crystal structure of Dehydrogenase/isomerase FabX from Helicobacter pylori in complex with holo-ACP | Descriptor: | 2-nitropropane dioxygenase, Acyl carrier protein,Acyl carrier protein, FLAVIN MONONUCLEOTIDE, ... | Authors: | Zhou, J.S, Zhang, L, Zhang, L. | Deposit date: | 2021-02-03 | Release date: | 2021-12-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.795 Å) | Cite: | Helicobacter pylori FabX contains a [4Fe-4S] cluster essential for unsaturated fatty acid synthesis. Nat Commun, 12, 2021
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7E1S
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![BU of 7e1s by Molmil](/molmil-images/mine/7e1s) | Crystal structure of dehydrogenase/isomerase FabX from Helicobacter pylori in complex with octanoyl-ACP | Descriptor: | 2-nitropropane dioxygenase, Acyl carrier protein,Acyl carrier protein, FLAVIN MONONUCLEOTIDE, ... | Authors: | Zhou, J.S, Zhang, L, Zhang, L. | Deposit date: | 2021-02-03 | Release date: | 2021-12-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Helicobacter pylori FabX contains a [4Fe-4S] cluster essential for unsaturated fatty acid synthesis. Nat Commun, 12, 2021
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6NIL
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![BU of 6nil by Molmil](/molmil-images/mine/6nil) | cryoEM structure of the truncated HIV-1 Vif/CBFbeta/A3F complex | Descriptor: | Core-binding factor subunit beta, DNA dC->dU-editing enzyme APOBEC-3F, Virion infectivity factor, ... | Authors: | Hu, Y, Xiong, Y. | Deposit date: | 2018-12-29 | Release date: | 2019-12-11 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural basis of antagonism of human APOBEC3F by HIV-1 Vif. Nat.Struct.Mol.Biol., 26, 2019
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3R4M
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![BU of 3r4m by Molmil](/molmil-images/mine/3r4m) | Optimization of Potent, Selective, and Orally Bioavailable Pyrrolodinopyrimidine-containing Inhibitors of Heat Shock Protein 90. Identification of Development Candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide | Descriptor: | 4-CHLORO-6-(2-METHOXYPHENYL)PYRIMIDIN-2-AMINE, Heat shock protein HSP 90-alpha | Authors: | Almassy, R.J. | Deposit date: | 2011-03-17 | Release date: | 2011-04-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide. J.Med.Chem., 54, 2011
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8WE6
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![BU of 8we6 by Molmil](/molmil-images/mine/8we6) | Human L-type voltage-gated calcium channel Cav1.2 at 2.9 Angstrom resolution | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gao, S, Yao, X, Yan, N. | Deposit date: | 2023-09-17 | Release date: | 2023-12-06 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine. Cell, 186, 2023
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4KW5
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![BU of 4kw5 by Molmil](/molmil-images/mine/4kw5) | M. tuberculosis DprE1 in complex with inhibitor TCA1 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, IMIDAZOLE, ... | Authors: | Batt, S.M, Besra, G.S, Futterer, K. | Deposit date: | 2013-05-23 | Release date: | 2013-07-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.612 Å) | Cite: | Identification of a small molecule with activity against drug-resistant and persistent tuberculosis. Proc.Natl.Acad.Sci.USA, 110, 2013
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8WEA
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![BU of 8wea by Molmil](/molmil-images/mine/8wea) | Human L-type voltage-gated calcium channel Cav1.2 (Class II) in the presence of pinaverium at 3.2 Angstrom resolution | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gao, S, Yao, X, Fan, X, Yan, N. | Deposit date: | 2023-09-17 | Release date: | 2023-12-06 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine. Cell, 186, 2023
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8WE9
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![BU of 8we9 by Molmil](/molmil-images/mine/8we9) | Human L-type voltage-gated calcium channel Cav1.2 (Class I) in the presence of pinaverium at 3.0 Angstrom resolution | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gao, S, Yao, X, Fan, X, Yan, N. | Deposit date: | 2023-09-17 | Release date: | 2023-12-06 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine. Cell, 186, 2023
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8WE8
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![BU of 8we8 by Molmil](/molmil-images/mine/8we8) | Human L-type voltage-gated calcium channel Cav1.2 in the presence of calciseptine, amlodipine and pinaverium at 2.9 Angstrom resolution | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gao, S, Yao, X, Yan, N. | Deposit date: | 2023-09-17 | Release date: | 2023-12-06 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine. Cell, 186, 2023
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8WE7
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![BU of 8we7 by Molmil](/molmil-images/mine/8we7) | Human L-type voltage-gated calcium channel Cav1.2 in the presence of calciseptine at 3.2 Angstrom resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gao, S, Yao, X, Yan, N. | Deposit date: | 2023-09-17 | Release date: | 2023-12-06 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine. Cell, 186, 2023
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6FWB
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![BU of 6fwb by Molmil](/molmil-images/mine/6fwb) | Crystal structure of Mat2A at 1.79 Angstron resolution | Descriptor: | GLYCEROL, S-adenosylmethionine synthase isoform type-2, SODIUM ION, ... | Authors: | Zhou, A, Wei, Z, Bai, J, Wang, H. | Deposit date: | 2018-03-06 | Release date: | 2019-03-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Identification of a natural inhibitor of methionine adenosyltransferase 2A regulating one-carbon metabolism in keratinocytes. Ebiomedicine, 39, 2019
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6JKJ
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![BU of 6jkj by Molmil](/molmil-images/mine/6jkj) | Crystal structure of human SPSB2 in the apo-state | Descriptor: | SPRY domain-containing SOCS box protein 2 | Authors: | Luo, Y, Kuang, Z. | Deposit date: | 2019-03-01 | Release date: | 2019-07-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the SPRY domain of human SPSB2 in the apo state. Acta Crystallogr.,Sect.F, 75, 2019
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6LUK
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7F2O
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5XFO
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![BU of 5xfo by Molmil](/molmil-images/mine/5xfo) | Structure of the N-terminal domains of PHF1 | Descriptor: | PHD finger protein 1, ZINC ION | Authors: | Wang, Z, Li, H. | Deposit date: | 2017-04-11 | Release date: | 2017-09-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Polycomb-like proteins link the PRC2 complex to CpG islands Nature, 549, 2017
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