8HFS
 
 | | The structure of LcnA, LciA, and the man-PTS of Lactococcus lactis | | Descriptor: | Bacteriocin lactococcin-A, Lactococcin-A immunity protein, Mannose-specific PTS system, ... | | Authors: | Wang, J.W. | | Deposit date: | 2022-11-12 | | Release date: | 2023-02-08 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.98 Å) | | Cite: | Structural Basis of the Mechanisms of Action and Immunity of Lactococcin A, a Class IId Bacteriocin.
Appl.Environ.Microbiol., 89, 2023
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6VQF
 | | CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244- 487)-L6-SRC1(678-692)) IN COMPLEX WITH AN INVERSE AGONIST | | Descriptor: | (1R,3S,4R)-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-3-methylcyclohexane-1-carboxylic acid, GLYCEROL, Nuclear receptor ROR-gamma | | Authors: | Sack, J.S. | | Deposit date: | 2020-02-05 | | Release date: | 2020-04-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of BMS-986251: A Clinically Viable, Potent, and Selective ROR gamma t Inverse Agonist.
Acs Med.Chem.Lett., 11, 2020
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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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8OUV
 | | Crystal structure of D1228V c-MET bound by compound 15 | | Descriptor: | 5-(1H-indazol-7-yl)-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione, CHLORIDE ION, Hepatocyte growth factor receptor | | Authors: | Collie, G.W. | | Deposit date: | 2023-04-24 | | Release date: | 2023-07-05 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.783 Å) | | Cite: | Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
J.Med.Chem., 66, 2023
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8OUU
 | | Crystal structure of D1228V c-MET bound by compound 29 | | Descriptor: | 1,2-ETHANEDIOL, 5-(3-ethynyl-5-fluoranyl-1H-indazol-7-yl)-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione, FORMIC ACID, ... | | Authors: | Collie, G.W. | | Deposit date: | 2023-04-24 | | Release date: | 2023-07-05 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
J.Med.Chem., 66, 2023
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8OW3
 | | Crystal structure of wild-type c-MET bound by compound 2 | | Descriptor: | 5-[3,5-bis(fluoranyl)phenyl]-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione, Hepatocyte growth factor receptor | | Authors: | Collie, G.W. | | Deposit date: | 2023-04-26 | | Release date: | 2023-07-05 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
J.Med.Chem., 66, 2023
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8OV7
 | | Crystal structure of D1228V c-MET bound by compound 10 | | Descriptor: | 5-[3,5-bis(fluoranyl)phenyl]-1-[(1S)-1-[3-(1H-imidazol-5-yl)phenyl]ethyl]pyrimidine-2,4-dione, Hepatocyte growth factor receptor | | Authors: | Collie, G.W. | | Deposit date: | 2023-04-25 | | Release date: | 2023-07-05 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
J.Med.Chem., 66, 2023
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7KHR
 | | Cryo-EM structure of bafilomycin A1-bound intact V-ATPase from bovine brain | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (5R)-2,4-dideoxy-1-C-{(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4E,6E,9R,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl}-4-methyl-5-propan-2-yl-alpha-D-threo-pentopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wang, R, Li, X. | | Deposit date: | 2020-10-21 | | Release date: | 2021-03-17 | | Last modified: | 2021-09-29 | | Method: | ELECTRON MICROSCOPY (3.62 Å) | | Cite: | Molecular basis of V-ATPase inhibition by bafilomycin A1.
Nat Commun, 12, 2021
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5Y8Y
 | | Crystal Structure Analysis of the BRD4 | | Descriptor: | 1,2-ETHANEDIOL, 5-bromanyl-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: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.87 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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7LD3
 | | Cryo-EM structure of the human adenosine A1 receptor-Gi2-protein complex bound to its endogenous agonist and an allosteric ligand | | Descriptor: | ADENOSINE, Chimera protein of Muscarinic acetylcholine receptor M4 and Adenosine receptor A1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Draper-Joyce, C.J, Danev, R, Thal, D.M, Christopoulos, A, Glukhova, A. | | Deposit date: | 2021-01-12 | | Release date: | 2021-09-08 | | Last modified: | 2021-10-13 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Positive allosteric mechanisms of adenosine A 1 receptor-mediated analgesia.
Nature, 597, 2021
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7LD4
 | | Cryo-EM structure of the human adenosine A1 receptor-Gi2-protein complex bound to its endogenous agonist | | Descriptor: | ADENOSINE, Chimera protein of Muscarinic acetylcholine receptor M4 and Adenosine receptor A1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Draper-Joyce, C.J, Danev, R, Thal, D.M, Christopoulos, A, Glukhova, A. | | Deposit date: | 2021-01-12 | | Release date: | 2021-09-08 | | Last modified: | 2021-10-13 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Positive allosteric mechanisms of adenosine A 1 receptor-mediated analgesia.
Nature, 597, 2021
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8HM1
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8HM2
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8HM3
 | | Complex of PPIase-BfUbb | | Descriptor: | GLYCEROL, MAGNESIUM ION, Peptidylprolyl isomerase, ... | | Authors: | Xu, J.H, Chen, Z, Gao, X. | | Deposit date: | 2022-12-02 | | Release date: | 2023-11-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Bacteroides fragilis ubiquitin homologue drives intraspecies bacterial competition in the gut microbiome.
Nat Microbiol, 9, 2024
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8HM4
 | | Crystal structure of PPIase | | Descriptor: | Peptidylprolyl isomerase | | Authors: | Xu, J.H, Chen, Z, Gao, X. | | Deposit date: | 2022-12-02 | | Release date: | 2023-11-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.79 Å) | | Cite: | Bacteroides fragilis ubiquitin homologue drives intraspecies bacterial competition in the gut microbiome.
Nat Microbiol, 9, 2024
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8OWG
 | | Crystal structure of D1228V c-MET bound by compound 2 | | Descriptor: | 5-[3,5-bis(fluoranyl)phenyl]-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione, Hepatocyte growth factor receptor | | Authors: | Collie, G.W. | | Deposit date: | 2023-04-27 | | Release date: | 2023-07-05 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.631 Å) | | Cite: | Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
J.Med.Chem., 66, 2023
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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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1AHC
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1AHA
 | | THE N-GLYCOSIDASE MECHANISM OF RIBOSOME-INACTIVATING PROTEINS IMPLIED BY CRYSTAL STRUCTURES OF ALPHA-MOMORCHARIN | | Descriptor: | ADENINE, ALPHA-MOMORCHARIN | | Authors: | Ren, J, Wang, Y, Dong, Y, Stuart, D.I. | | Deposit date: | 1994-01-07 | | Release date: | 1994-06-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The N-glycosidase mechanism of ribosome-inactivating proteins implied by crystal structures of alpha-momorcharin.
Structure, 2, 1994
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1AHB
 | | THE N-GLYCOSIDASE MECHANISM OF RIBOSOME-INACTIVATING PROTEINS IMPLIED BY CRYSTAL STRUCTURES OF ALPHA-MOMORCHARIN | | Descriptor: | ALPHA-MOMORCHARIN, FORMYCIN-5'-MONOPHOSPHATE | | Authors: | Ren, J, Wang, Y, Dong, Y, Stuart, D.I. | | Deposit date: | 1994-01-07 | | Release date: | 1994-06-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The N-glycosidase mechanism of ribosome-inactivating proteins implied by crystal structures of alpha-momorcharin.
Structure, 2, 1994
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5LR4
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5LQO
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5LR3
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5LR5
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8IG6
 | | Crystal structure of MERS main protease in complex with GC376 | | Descriptor: | N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide, ORF1a | | Authors: | Lin, C, Zhang, J, Li, J. | | Deposit date: | 2023-02-20 | | Release date: | 2024-03-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
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