3DTW
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![BU of 3dtw by Molmil](/molmil-images/mine/3dtw) | Crystal structure of the VEGFR2 kinase domain in complex with a benzisoxazole inhibitor | Descriptor: | 6-chloro-N-pyrimidin-5-yl-3-{[3-(trifluoromethyl)phenyl]amino}-1,2-benzisoxazole-7-carboxamide, Vascular endothelial growth factor receptor 2 | Authors: | Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H. | Deposit date: | 2008-07-16 | Release date: | 2008-09-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of amido-benzisoxazoles as potent c-Kit inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
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7JI3
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4EWS
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7K9H
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![BU of 7k9h by Molmil](/molmil-images/mine/7k9h) | SARS-CoV-2 Spike in complex with neutralizing Fab 2B04 (one up, two down conformation) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2B04 heavy chain, ... | Authors: | Errico, J.M, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-09-29 | Release date: | 2021-09-29 | Last modified: | 2021-11-10 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural mechanism of SARS-CoV-2 neutralization by two murine antibodies targeting the RBD. Cell Rep, 37, 2021
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7K9I
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7K9J
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7K9K
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3B8Q
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![BU of 3b8q by Molmil](/molmil-images/mine/3b8q) | Crystal structure of the VEGFR2 kinase domain in complex with a naphthamide inhibitor | Descriptor: | N-(4-chlorophenyl)-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide, Vascular endothelial growth factor receptor 2 | Authors: | Whittington, D.A, Long, A.M, Gu, Y, Zhao, H. | Deposit date: | 2007-11-01 | Release date: | 2008-04-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Naphthamides as Novel and Potent Vascular Endothelial Growth Factor
Receptor Tyrosine Kinase Inhibitors: Design, Synthesis and Evaluation J.Med.Chem., 51, 2008
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3BE2
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![BU of 3be2 by Molmil](/molmil-images/mine/3be2) | Crystal structure of the VEGFR2 kinase domain in complex with a benzamide inhibitor | Descriptor: | N-{3-[3-(DIMETHYLAMINO)PROPYL]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE, Vascular endothelial growth factor receptor 2 | Authors: | Whittington, D.A, Kim, J.L, Long, A.M, Gu, Y, Rose, P, Zhao, H. | Deposit date: | 2007-11-16 | Release date: | 2008-04-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Naphthamides as novel and potent vascular endothelial growth factor receptor tyrosine kinase inhibitors: design, synthesis, and evaluation. J.Med.Chem., 51, 2008
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3B8R
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![BU of 3b8r by Molmil](/molmil-images/mine/3b8r) | Crystal structure of the VEGFR2 kinase domain in complex with a naphthamide inhibitor | Descriptor: | 1,2-ETHANEDIOL, N-cyclopropyl-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide, Vascular endothelial growth factor receptor 2 | Authors: | Whittington, D.A, Long, A.M, Gu, Y, Zhao, H. | Deposit date: | 2007-11-01 | Release date: | 2008-04-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Evaluation of a Series of Naphthamides as Potent, Orally Active Vascular
Endothelial Growth Factor Receptor-2 Tyrosine Kinase Inhibitors J.Med.Chem., 51, 2008
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2GMX
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![BU of 2gmx by Molmil](/molmil-images/mine/2gmx) | Selective Aminopyridine-Based C-Jun N-terminal Kinase inhibitors with cellular activity | Descriptor: | C-jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 8, N-(4-AMINO-5-CYANO-6-ETHOXYPYRIDIN-2-YL)-2-(4-BROMO-2,5-DIMETHOXYPHENYL)ACETAMIDE, ... | Authors: | Abad-Zapatero, C. | Deposit date: | 2006-04-07 | Release date: | 2006-06-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Aminopyridine-Based c-Jun N-Terminal Kinase Inhibitors with Cellular Activity and Minimal Cross-Kinase Activity. J.Med.Chem., 49, 2006
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4L03
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7WEU
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7WET
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![BU of 7wet by Molmil](/molmil-images/mine/7wet) | Crystal structure of Peroxiredoxin I in complex with the inhibitor Cela | Descriptor: | (2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid, Peroxiredoxin-1 | Authors: | Zhang, H, Luo, C. | Deposit date: | 2021-12-24 | Release date: | 2022-12-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Celastrol suppresses colorectal cancer via covalent targeting peroxiredoxin 1. Signal Transduct Target Ther, 8, 2023
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4L04
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4KZO
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4L06
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7JKZ
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![BU of 7jkz by Molmil](/molmil-images/mine/7jkz) | Bromodomain-containing protein 4 (BRD4) bromodomain 2 (BD2) complexed with YF3-126 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ... | Authors: | Ratia, K.M, Xiong, R, Li, Y, Shen, Z, Zhao, J, Huang, F, Dubrovyskyii, O, Thatcher, G.R. | Deposit date: | 2020-07-29 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Novel Pyrrolopyridone Bromodomain and Extra-Terminal Motif (BET) Inhibitors Effective in Endocrine-Resistant ER+ Breast Cancer with Acquired Resistance to Fulvestrant and Palbociclib. J.Med.Chem., 63, 2020
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7JKY
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![BU of 7jky by Molmil](/molmil-images/mine/7jky) | Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with YF3-126 | Descriptor: | Bromodomain-containing protein 4, N-(1-[1,1-di(pyridin-2-yl)ethyl]-6-{1-methyl-6-oxo-5-[(piperidin-4-yl)amino]-1,6-dihydropyridin-3-yl}-1H-indol-4-yl)ethanesulfonamide, SODIUM ION | Authors: | Ratia, K.M, Xiong, R, Li, Y, Shen, Z, Zhao, J, Huang, F, Dubrovyskyii, O, Thatcher, G.R. | Deposit date: | 2020-07-29 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Novel Pyrrolopyridone Bromodomain and Extra-Terminal Motif (BET) Inhibitors Effective in Endocrine-Resistant ER+ Breast Cancer with Acquired Resistance to Fulvestrant and Palbociclib. J.Med.Chem., 63, 2020
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7JKW
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![BU of 7jkw by Molmil](/molmil-images/mine/7jkw) | Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with ZN1-99 | Descriptor: | Bromodomain-containing protein 4, N-(6-{5-[(azetidin-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridin-3-yl}-1-[1,1-di(pyridin-2-yl)ethyl]-1H-indol-4-yl)ethanesulfonamide | Authors: | Ratia, K.M, Xiong, R, Li, Y, Shen, Z, Zhao, J, Huang, F, Dubrovyskyii, O, Thatcher, G.R. | Deposit date: | 2020-07-29 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Novel Pyrrolopyridone Bromodomain and Extra-Terminal Motif (BET) Inhibitors Effective in Endocrine-Resistant ER+ Breast Cancer with Acquired Resistance to Fulvestrant and Palbociclib. J.Med.Chem., 63, 2020
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3U6J
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![BU of 3u6j by Molmil](/molmil-images/mine/3u6j) | Crystal structure of the VEGFR2 kinase domain in complex with a pyrazolone inhibitor | Descriptor: | N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide, Vascular endothelial growth factor receptor 2 | Authors: | Whittington, D.A, Long, A, Rose, P, Gu, Y, Zhao, H. | Deposit date: | 2011-10-12 | Release date: | 2012-02-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure-based design of novel class II c-Met inhibitors: 1. Identification of pyrazolone-based derivatives. J.Med.Chem., 55, 2012
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6LON
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![BU of 6lon by Molmil](/molmil-images/mine/6lon) | Crystal structure of HPSG | Descriptor: | (2~{S})-2,3-bis(oxidanyl)propane-1-sulfonic acid, GLYCEROL, PFL2/glycerol dehydratase family glycyl radical enzyme, ... | Authors: | Liu, J, Zhang, Y, Yuchi, Z. | Deposit date: | 2020-01-06 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Two radical-dependent mechanisms for anaerobic degradation of the globally abundant organosulfur compound dihydroxypropanesulfonate. Proc.Natl.Acad.Sci.USA, 117, 2020
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8GU0
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![BU of 8gu0 by Molmil](/molmil-images/mine/8gu0) | Crystal structure of a fungal halogenase RadH | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Non-heme halogenase radH, ... | Authors: | Jiang, S.M, Brown, C.J. | Deposit date: | 2022-09-09 | Release date: | 2023-07-26 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Further Characterization of Fungal Halogenase RadH and Its Homologs. Biomolecules, 13, 2023
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5YIS
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![BU of 5yis by Molmil](/molmil-images/mine/5yis) | Crystal Structure of AnkB LIR/LC3B complex | Descriptor: | Ankyrin-2, GLYCEROL, Microtubule-associated proteins 1A/1B light chain 3B, ... | Authors: | Li, J, Zhu, R, Chen, K, Zheng, H, Yuan, C, Zhang, H, Wang, C, Zhang, M. | Deposit date: | 2017-10-06 | Release date: | 2018-05-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Potent and specific Atg8-targeting autophagy inhibitory peptides from giant ankyrins. Nat. Chem. Biol., 14, 2018
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5YIQ
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![BU of 5yiq by Molmil](/molmil-images/mine/5yiq) | Crystal structure of AnkG LIR/LC3B complex | Descriptor: | Ankyrin-3, Microtubule-associated proteins 1A/1B light chain 3B, ZINC ION | Authors: | Li, J, Zhu, R, Chen, K, Zheng, H, Yuan, C, Zhang, H, Wang, C, Zhang, M. | Deposit date: | 2017-10-06 | Release date: | 2018-05-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Potent and specific Atg8-targeting autophagy inhibitory peptides from giant ankyrins. Nat. Chem. Biol., 14, 2018
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