6KJX
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![BU of 6kjx by Molmil](/molmil-images/mine/6kjx) | Galectin-13 variant C138S | Descriptor: | Galactoside-binding soluble lectin 13 | Authors: | Su, J. | Deposit date: | 2019-07-23 | Release date: | 2019-10-16 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Galectin-13/placental protein 13: redox-active disulfides as switches for regulating structure, function and cellular distribution. Glycobiology, 30, 2020
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6ITJ
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![BU of 6itj by Molmil](/molmil-images/mine/6itj) | Crystal structure of FGFR1 kinase domain in complex with compound 3 | Descriptor: | 4-azanyl-3-(3,5-dimethyl-1-benzofuran-2-yl)-2-phenyl-6~{H}-pyrazolo[3,4-d]pyridazin-7-one, Fibroblast growth factor receptor 1 | Authors: | Xu, Y, Liu, Q. | Deposit date: | 2018-11-23 | Release date: | 2019-10-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.994 Å) | Cite: | Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design. J.Med.Chem., 62, 2019
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4Y52
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![BU of 4y52 by Molmil](/molmil-images/mine/4y52) | Crystal structure of 5-Carboxycytosine Recognition by RNA Polymerase II during Transcription Elongation. | Descriptor: | DNA (29-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ... | Authors: | Wang, L, Chong, J, Wang, D. | Deposit date: | 2015-02-11 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Molecular basis for 5-carboxycytosine recognition by RNA polymerase II elongation complex. Nature, 523, 2015
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7WM0
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![BU of 7wm0 by Molmil](/molmil-images/mine/7wm0) | |
5Y93
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![BU of 5y93 by Molmil](/molmil-images/mine/5y93) | Crystal Structure Analysis of the BRD4 | Descriptor: | 1,2-ETHANEDIOL, 2-[[5-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-methyl-1,2-benzoxazol-6-yl]oxy]-N-(2-morpholin-4-ylethyl)ethanamide, Bromodomain-containing protein 4, ... | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | Deposit date: | 2017-08-22 | Release date: | 2018-06-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC) J. Med. Chem., 61, 2018
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6BE0
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![BU of 6be0 by Molmil](/molmil-images/mine/6be0) | AvrA delL154 with IP6, CoA | Descriptor: | AvrA, COENZYME A, INOSITOL HEXAKISPHOSPHATE | Authors: | Labriola, J.M, Nagar, B. | Deposit date: | 2017-10-24 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.438 Å) | Cite: | Structural Analysis of the Bacterial Effector AvrA Identifies a Critical Helix Involved in Substrate Recognition. Biochemistry, 57, 2018
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5Y8W
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![BU of 5y8w by Molmil](/molmil-images/mine/5y8w) | Crystal Structure Analysis of the BRD4 | Descriptor: | 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-N-(3-methyl-6-oxidanyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ... | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | Deposit date: | 2017-08-21 | Release date: | 2018-06-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC) J. Med. Chem., 61, 2018
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5Y94
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![BU of 5y94 by Molmil](/molmil-images/mine/5y94) | Crystal Structure Analysis of the BRD4 | Descriptor: | 5-bromanyl-2-methoxy-N-[3-methyl-6-(methylamino)-1,2-benzoxazol-5-yl]benzenesulfonamide, Bromodomain-containing protein 4, GLYCEROL, ... | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | Deposit date: | 2017-08-22 | Release date: | 2018-06-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC) J. Med. Chem., 61, 2018
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5Y8Z
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![BU of 5y8z by Molmil](/molmil-images/mine/5y8z) | Crystal Structure Analysis of the BRD4 | Descriptor: | 1,2-ETHANEDIOL, 5-bromanyl-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide, Bromodomain-containing protein 4, ... | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | Deposit date: | 2017-08-22 | Release date: | 2018-06-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC) J. Med. Chem., 61, 2018
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8J40
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![BU of 8j40 by Molmil](/molmil-images/mine/8j40) | Crystal Structure of CATB8 in complex with chloramphenicol | Descriptor: | CHLORAMPHENICOL, CatB8, GLYCEROL, ... | Authors: | Liao, J, Kuang, L, Jiang, Y. | Deposit date: | 2023-04-18 | Release date: | 2024-02-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Chloramphenicol Binding Sites of Acinetobacter baumannii Chloramphenicol Acetyltransferase CatB8. Acs Infect Dis., 10, 2024
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8GVJ
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![BU of 8gvj by Molmil](/molmil-images/mine/8gvj) | Crystal structure of cMET kinase domain bound by D6808 | Descriptor: | (1^4Z,5^2E)-6^3-(trifluoromethyl)-5^1,5^6-dihydro-1^1H-8-aza-2(3,6)-quinolina-5(1,3)-pyridazina-1(4,1)-pyrazola-6(1,4)-benzenacyclododecaphane-5^6,7-dione, Hepatocyte growth factor receptor | Authors: | Chen, Y.H, Qu, L.Z. | Deposit date: | 2022-09-15 | Release date: | 2022-11-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment. J.Med.Chem., 65, 2022
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5Y8C
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![BU of 5y8c by Molmil](/molmil-images/mine/5y8c) | Crystal Structure Analysis of the BRD4 | Descriptor: | 1,2-ETHANEDIOL, 5-chloranyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ... | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | Deposit date: | 2017-08-21 | Release date: | 2018-06-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC) J. Med. Chem., 61, 2018
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6BVY
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![BU of 6bvy by Molmil](/molmil-images/mine/6bvy) | SFTI-HFRW-4 | Descriptor: | Trypsin inhibitor 1 HFRW-4 | Authors: | Schroeder, C.I, White, A. | Deposit date: | 2017-12-14 | Release date: | 2018-04-18 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Development of Novel Melanocortin Receptor Agonists Based on the Cyclic Peptide Framework of Sunflower Trypsin Inhibitor-1. J. Med. Chem., 61, 2018
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2Y2Y
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![BU of 2y2y by Molmil](/molmil-images/mine/2y2y) | Oxidised form of E. coli CsgC | Descriptor: | ACETATE ION, CURLI PRODUCTION PROTEIN CSGC | Authors: | Taylor, J.D, Salgado, P.S, Constable, S.C, Cota, E, Mathews, S.J. | Deposit date: | 2010-12-16 | Release date: | 2011-09-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Atomic Resolution Insights Into Curli Fiber Biogenesis. Structure, 19, 2011
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8GZF
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![BU of 8gzf by Molmil](/molmil-images/mine/8gzf) | Crystal Structure of METTL9-SAH | Descriptor: | Protein-L-histidine N-pros-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Zhao, W.T, Li, H.T. | Deposit date: | 2022-09-26 | Release date: | 2023-05-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular basis for protein histidine N1-specific methylation of the "His-x-His" motifs by METTL9. Cell Insight, 2, 2023
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8GTV
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![BU of 8gtv by Molmil](/molmil-images/mine/8gtv) | SARS-CoV-2 3CL protease (3CLpro) in complex with compound JZD-07 | Descriptor: | 3C-like proteinase, 4-[(2~{S})-4-(3,4-dichlorophenyl)-2-(morpholin-4-ylmethyl)piperazin-1-yl]carbonyl-1~{H}-quinolin-2-one | Authors: | Su, H.X, Nie, T.Q, Xie, H, Li, M.J, Xu, Y.C. | Deposit date: | 2022-09-08 | Release date: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Development of novel inhibitors against SARS-CoV-2 3CLpro To Be Published
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8GTW
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![BU of 8gtw by Molmil](/molmil-images/mine/8gtw) | SARS-CoV-2 3CL protease (3CLpro) in complex with compound JZD-26 | Descriptor: | (2S)-4-(3,4-dichlorophenyl)-1-[(2-oxidanylidene-1H-quinolin-4-yl)carbonyl]-N-[3,3,3-tris(fluoranyl)propyl]piperazine-2-carboxamide, 3C-like proteinase | Authors: | Su, H.X, Nie, T.Q, Xie, H, Li, M.J, Xu, Y.C. | Deposit date: | 2022-09-08 | Release date: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Development of novel inhibitors against SARS-CoV-2 3CLpro To Be Published
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8GXO
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![BU of 8gxo by Molmil](/molmil-images/mine/8gxo) | |
8GXN
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![BU of 8gxn by Molmil](/molmil-images/mine/8gxn) | The crystal structure of CsFAOMT2 in complex with SAH | Descriptor: | MAGNESIUM ION, S-ADENOSYL-L-HOMOCYSTEINE, caffeyl-CoA-O-methyltransferase | Authors: | Zhang, Z.M, Zhou, Y.E, Huang, H.S. | Deposit date: | 2022-09-20 | Release date: | 2023-09-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Characterization of two O-methyltransferases involved in the biosynthesis of O-methylated catechins in tea plant. Nat Commun, 14, 2023
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6BVX
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![BU of 6bvx by Molmil](/molmil-images/mine/6bvx) | SFTI-HFRW-2 | Descriptor: | Trypsin inhibitor 1 HFRW-2 | Authors: | Schroeder, C.I. | Deposit date: | 2017-12-14 | Release date: | 2018-12-19 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Development of Novel Melanocortin Receptor Agonists Based on the Cyclic Peptide Framework of Sunflower Trypsin Inhibitor-1. J.Med.Chem., 61, 2018
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7WLY
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![BU of 7wly by Molmil](/molmil-images/mine/7wly) | Cryo-EM structure of the Omicron S in complex with 35B5 Fab(1 down- and 2 up RBDs) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, ... | Authors: | Wang, X, Zhu, Y. | Deposit date: | 2022-01-14 | Release date: | 2022-05-25 | Last modified: | 2022-06-22 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | 35B5 antibody potently neutralizes SARS-CoV-2 Omicron by disrupting the N-glycan switch via a conserved spike epitope. Cell Host Microbe, 30, 2022
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5Z1S
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![BU of 5z1s by Molmil](/molmil-images/mine/5z1s) | Crystal Structure Analysis of the BRD4(1) | Descriptor: | 1,2-ETHANEDIOL, 5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)benzene-1-sulfonamide, Bromodomain-containing protein 4, ... | Authors: | Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C. | Deposit date: | 2017-12-28 | Release date: | 2019-01-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer. Acs Med.Chem.Lett., 9, 2018
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7WLZ
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![BU of 7wlz by Molmil](/molmil-images/mine/7wlz) | |
2Y2T
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![BU of 2y2t by Molmil](/molmil-images/mine/2y2t) | |
5Z1R
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![BU of 5z1r by Molmil](/molmil-images/mine/5z1r) | Crystal Structure Analysis of the BRD4 | Descriptor: | 1,2-ETHANEDIOL, 5-bromo-N-(2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide, Bromodomain-containing protein 4, ... | Authors: | Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C. | Deposit date: | 2017-12-28 | Release date: | 2019-01-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer. Acs Med.Chem.Lett., 9, 2018
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