5NYX
 
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7MDP
 | | KRas G12C in complex with G-2897 | | Descriptor: | 1,2-ETHANEDIOL, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 4-(trifluoromethyl)-1,3-benzothiazol-2-amine, ... | | Authors: | Oh, A, Frank, Y, Wang, W. | | Deposit date: | 2021-04-05 | | Release date: | 2022-03-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Nat.Biotechnol., 40, 2022
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5O14
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5O1R
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7LT2
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7LT1
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7MWY
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7MWZ
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7KQD
 | | Prefusion RSV F Bound to RV521 | | Descriptor: | 1'-{[5-(aminomethyl)-1-(4,4,4-trifluorobutyl)-1H-benzimidazol-2-yl]methyl}-6'-fluorospiro[cyclopropane-1,3'-indol]-2'(1'H)-one, Fusion glycoprotein F0, SULFATE ION | | Authors: | McLellan, J.S. | | Deposit date: | 2020-11-14 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | Discovery of Sisunatovir (RV521), an Inhibitor of Respiratory Syncytial Virus Fusion.
J.Med.Chem., 64, 2021
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3DKS
 | | DsbA substrate complex | | Descriptor: | Thiol:disulfide interchange protein dsbA, siga peptide | | Authors: | Paxman, J.J, Borg, N.A, Horne, J, Rossjohn, J, Thompson, P.E, Piek, S, Kahler, C.M, Sakellaris, H, Scanlon, M.J. | | Deposit date: | 2008-06-25 | | Release date: | 2009-05-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The structure of the bacterial oxidoreductase enzyme DsbA in complex with a peptide reveals a basis for substrate specificity in the catalytic cycle of DsbA enzymes
J.Biol.Chem., 284, 2009
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3CKJ
 | | Crystal Structure of a Mycobacterial Protein | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, CITRIC ACID, PHOSPHATE ION, ... | | Authors: | Marland, Z, Rossjohn, J. | | Deposit date: | 2008-03-15 | | Release date: | 2008-07-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of a UDP-glucose-specific glycosyltransferase from a Mycobacterium species.
J.Biol.Chem., 283, 2008
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3CWM
 | | Crystal structure of alpha-1-antitrypsin complexed with citrate | | Descriptor: | Alpha-1-antitrypsin, CITRIC ACID | | Authors: | Morton, C.J, Hansen, G, Feil, S.C, Adams, J.J, Parker, M.W. | | Deposit date: | 2008-04-22 | | Release date: | 2008-09-23 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Preventing serpin aggregation: The molecular mechanism of citrate action upon antitrypsin unfolding.
Protein Sci., 17, 2008
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3CKO
 | | Crystal Structure of a Mycobacterial Protein | | Descriptor: | GLYCEROL, Putative uncharacterized protein, SULFATE ION, ... | | Authors: | Marland, Z, Rossjohn, J. | | Deposit date: | 2008-03-16 | | Release date: | 2008-07-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of a UDP-glucose-specific glycosyltransferase from a Mycobacterium species.
J.Biol.Chem., 283, 2008
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3CHX
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3CKN
 | | Crystal Structure of a Mycobacterial Protein | | Descriptor: | MANGANESE (II) ION, Putative uncharacterized protein, SULFATE ION, ... | | Authors: | Marland, Z, Rossjohn, J. | | Deposit date: | 2008-03-16 | | Release date: | 2008-07-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of a UDP-glucose-specific glycosyltransferase from a Mycobacterium species.
J.Biol.Chem., 283, 2008
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3CKV
 | | Crystal Structure of a Mycobacterial Protein | | Descriptor: | GLYCEROL, Putative uncharacterized protein, SULFATE ION, ... | | Authors: | Marland, Z, Rossjohn, J. | | Deposit date: | 2008-03-17 | | Release date: | 2008-07-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a UDP-glucose-specific glycosyltransferase from a Mycobacterium species.
J.Biol.Chem., 283, 2008
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3CKQ
 | | Crystal Structure of a Mycobacterial Protein | | Descriptor: | MANGANESE (II) ION, Putative uncharacterized protein, SULFATE ION, ... | | Authors: | Marland, Z, Rossjohn, J. | | Deposit date: | 2008-03-16 | | Release date: | 2008-07-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of a UDP-glucose-specific glycosyltransferase from a Mycobacterium species.
J.Biol.Chem., 283, 2008
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3E65
 | | Murine INOS dimer with HEME, pterin and inhibitor AR-C120011 | | Descriptor: | 1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-4'-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | | Authors: | Rosenfeld, R.J, Garcin, E.D, Getzoff, E.D. | | Deposit date: | 2008-08-14 | | Release date: | 2008-10-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
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3DLW
 | | Antichymotrypsin | | Descriptor: | Alpha-1-antichymotrypsin | | Authors: | Feil, S.C. | | Deposit date: | 2008-06-29 | | Release date: | 2009-07-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Identification and characterization of a misfolded monomeric serpin formed at physiological temperature
J.Mol.Biol., 403, 2010
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3CWL
 | | Crystal structure of alpha-1-antitrypsin, crystal form B | | Descriptor: | Alpha-1-antitrypsin, CHLORIDE ION | | Authors: | Morton, C.J, Hansen, G, Feil, S.C, Adams, J.J, Parker, M.W. | | Deposit date: | 2008-04-22 | | Release date: | 2008-09-23 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Preventing serpin aggregation: The molecular mechanism of citrate action upon antitrypsin unfolding.
Protein Sci., 17, 2008
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3DNF
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6EQM
 | | Crystal Structure of Human BACE-1 in Complex with CNP520 | | Descriptor: | Beta-secretase 1, ~{N}-[6-[(3~{R},6~{R})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{H}-1,4-oxazin-3-yl]-5-fluoranyl-pyridin-2-yl]-3-chloranyl-5-(trifluoromethyl)pyridine-2-carboxamide | | Authors: | Rondeau, J.-M, Wirth, E. | | Deposit date: | 2017-10-13 | | Release date: | 2018-09-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | The BACE-1 inhibitor CNP520 for prevention trials in Alzheimer's disease.
EMBO Mol Med, 10, 2018
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9FQA
 | | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the covalently bound inhibitor PSB-21101 (compound 30b in publication) | | Descriptor: | (5-chloranylpyridin-3-yl) 2-fluoranyl-4-phenylmethoxy-benzoate, BROMIDE ION, MAGNESIUM ION, ... | | Authors: | Strater, N, Claff, T, Sylvester, K, Oneto, A, Guetschow, M, Mueller, C.E. | | Deposit date: | 2024-06-14 | | Release date: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Nonpeptidic Irreversible Inhibitors of SARS-CoV-2 Main Protease with Potent Antiviral Activity.
J.Med.Chem., 2024
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9FQ9
 | | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the covalently bound inhibitor PSB-21110 (compound 29b in publication) | | Descriptor: | (5-chloranylpyridin-3-yl) 4-ethoxy-2-fluoranyl-benzoate, BROMIDE ION, Non-structural protein 11 | | Authors: | Strater, N, Claff, T, Sylvester, K, Oneto, A, Guetschow, M, Mueller, C.E. | | Deposit date: | 2024-06-19 | | Release date: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Nonpeptidic Irreversible Inhibitors of SARS-CoV-2 Main Protease with Potent Antiviral Activity.
J.Med.Chem., 2024
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5FLY
 | | The FhuD protein from S.pseudintermedius | | Descriptor: | 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Malito, E. | | Deposit date: | 2015-10-29 | | Release date: | 2015-12-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.598 Å) | | Cite: | Crystal Structure of Fhud at 1.6 Angstrom Resolution: A Ferrichrome-Binding Protein from the Animal and Human Pathogen Staphylococcus Pseudintermedius
Acta Crystallogr.,Sect.F, 72, 2016
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