8H2J
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![BU of 8h2j by Molmil](/molmil-images/mine/8h2j) | Structure of Acb2 complexed with 3',3'-cGAMP | Descriptor: | 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, p26 | Authors: | Feng, Y, Cao, X.L. | Deposit date: | 2022-10-06 | Release date: | 2023-02-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Bacteriophages inhibit and evade cGAS-like immune function in bacteria. Cell, 186, 2023
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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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4O0N
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![BU of 4o0n by Molmil](/molmil-images/mine/4o0n) | 2.4 Angstrom Resolution Crystal Structure of Putative Nucleoside Diphosphate Kinase from Toxoplasma gondii. | Descriptor: | Nucleoside diphosphate kinase, SULFATE ION | Authors: | Minasov, G, Ruan, J, Ngo, H, Shuvalova, L, Dubrovska, I, Flores, K, Shanmugam, D, Roos, D, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-12-13 | Release date: | 2013-12-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | CSGID Solves Structures and Identifies Phenotypes for Five Enzymes in Toxoplasma gondii . Front Cell Infect Microbiol, 8, 2018
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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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8ESB
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![BU of 8esb by Molmil](/molmil-images/mine/8esb) | |
8ESA
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![BU of 8esa by Molmil](/molmil-images/mine/8esa) | |
8ES9
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![BU of 8es9 by Molmil](/molmil-images/mine/8es9) | CryoEM structure of PN45428 TCR-CD3 in complex with HLA-A2 MAGEA4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ... | Authors: | Saotome, K, Franklin, M.C. | Deposit date: | 2022-10-13 | Release date: | 2023-05-03 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Structural analysis of cancer-relevant TCR-CD3 and peptide-MHC complexes by cryoEM. Nat Commun, 14, 2023
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8ES7
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![BU of 8es7 by Molmil](/molmil-images/mine/8es7) | CryoEM structure of PN45545 TCR-CD3 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Saotome, K, Franklin, M.C. | Deposit date: | 2022-10-13 | Release date: | 2023-05-03 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Structural analysis of cancer-relevant TCR-CD3 and peptide-MHC complexes by cryoEM. Nat Commun, 14, 2023
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8ES8
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![BU of 8es8 by Molmil](/molmil-images/mine/8es8) | |
7X8X
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![BU of 7x8x by Molmil](/molmil-images/mine/7x8x) | structural insights into Mycobacterium tuberculosis ClpP1P2 inhibition by Cediranib: implications for developing antimicrobial agents targeting Clp protease | Descriptor: | 4-[1-[3-[4-[(4-fluoranyl-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-quinazolin-7-yl]oxypropyl]piperidin-4-yl]benzamide, 4-[[3,5-bis(fluoranyl)phenyl]methyl]-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit 1, ... | Authors: | Bao, R, Luo, Y.F, Zhu, Y.B, Yang, Y, Zhou, Y.Z. | Deposit date: | 2022-03-15 | Release date: | 2023-04-12 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (3.24 Å) | Cite: | Discovery and Mechanistic Study of Novel Mycobacterium tuberculosis ClpP1P2 Inhibitors J.Med.Chem., 66, 2023
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4O1M
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![BU of 4o1m by Molmil](/molmil-images/mine/4o1m) | Toxoplasma gondii Enoyl acyl carrier protein reductase | Descriptor: | Enoyl-acyl carrier reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Muench, S.P, Wilkinson, C, Prigge, S.T, Rice, D.W. | Deposit date: | 2013-12-16 | Release date: | 2014-02-05 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The benzimidazole based drugs show good activity against T. gondii but poor activity against its proposed enoyl reductase enzyme target Bioorg.Med.Chem.Lett., 24, 2014
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8WPU
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![BU of 8wpu by Molmil](/molmil-images/mine/8wpu) | Human calcium-sensing receptor(CaSR) bound to cinacalcet in complex with Gq protein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Ling, S.L, Meng, X.Y, Tian, C.L. | Deposit date: | 2023-10-10 | Release date: | 2023-11-22 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural insights into asymmetric activation of the calcium-sensing receptor-G q complex. Cell Res., 34, 2024
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8WPG
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![BU of 8wpg by Molmil](/molmil-images/mine/8wpg) | Human calcium-sensing receptor bound with cinacalcet in detergent | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Ling, S.L, Meng, X.Y, Tian, C.L. | Deposit date: | 2023-10-10 | Release date: | 2023-11-22 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural insights into asymmetric activation of the calcium-sensing receptor-G q complex. Cell Res., 34, 2024
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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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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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8XB4
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![BU of 8xb4 by Molmil](/molmil-images/mine/8xb4) | |
8XB3
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![BU of 8xb3 by Molmil](/molmil-images/mine/8xb3) | |
4NML
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![BU of 4nml by Molmil](/molmil-images/mine/4nml) | 2.60 Angstrom resolution crystal structure of putative ribose 5-phosphate isomerase from Toxoplasma gondii ME49 in complex with DL-Malic acid | Descriptor: | CHLORIDE ION, D-MALATE, Ribulose 5-phosphate isomerase | Authors: | Halavaty, A.S, Dubrovska, I, Flores, K, Shanmugam, D, Shuvalova, L, Roos, D, Ruan, J, Ngo, H, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-11-15 | Release date: | 2013-12-04 | Last modified: | 2021-01-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | CSGID Solves Structures and Identifies Phenotypes for Five Enzymes in Toxoplasma gondii . Front Cell Infect Microbiol, 8, 2018
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4NOG
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![BU of 4nog by Molmil](/molmil-images/mine/4nog) | Crystal structure of a putative ornithine aminotransferase from Toxoplasma gondii ME49 in complex with pyrodoxal-5'-phosphate | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, BETA-MERCAPTOETHANOL, ... | Authors: | Filippova, E.V, Halavaty, A, Ruan, J, Shuvalova, L, Flores, K, Dubrovska, I, Ngo, H, Shanmugam, D, Roos, D, Anderson, W.F, Center for Structural Genomics of Infectious Diseases, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-11-19 | Release date: | 2013-12-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | CSGID Solves Structures and Identifies Phenotypes for Five Enzymes in Toxoplasma gondii . Front Cell Infect Microbiol, 8, 2018
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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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5XRG
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![BU of 5xrg by Molmil](/molmil-images/mine/5xrg) | Galectin-10/Charcot-Leyden crystal protein crystal structure | Descriptor: | GLYCEROL, Galectin-10 | Authors: | Su, J. | Deposit date: | 2017-06-08 | Release date: | 2018-01-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Galectin-10: a new structural type of prototype galectin dimer and effects on saccharide ligand binding. Glycobiology, 28, 2018
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5XRK
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![BU of 5xrk by Molmil](/molmil-images/mine/5xrk) | |
5XRP
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![BU of 5xrp by Molmil](/molmil-images/mine/5xrp) | Galectin-10/Charcot-Leyden crystal protein variant Q75A | Descriptor: | GLYCEROL, Galectin-10 | Authors: | Su, J. | Deposit date: | 2017-06-08 | Release date: | 2018-01-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Galectin-10: a new structural type of prototype galectin dimer and effects on saccharide ligand binding. Glycobiology, 28, 2018
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