4EZL
 
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4HLE
 | | Compound 21 (1-alkyl-substituted 1,2,4-triazoles) | | Descriptor: | 2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepine-8-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Murray, J.M, Rouge, L, Wu, P. | | Deposit date: | 2012-10-16 | | Release date: | 2013-01-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Cis-Amide isosteric replacement in thienobenzoxepin inhibitors of PI3-kinase.
Bioorg.Med.Chem.Lett., 23, 2013
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1LST
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4GB9
 | | Potent and Highly Selective Benzimidazole Inhibitors of PI3K-delta | | Descriptor: | 2-[1-({2-[2-(dimethylamino)-1H-benzimidazol-1-yl]-9-methyl-6-(morpholin-4-yl)-9H-purin-8-yl}methyl)piperidin-4-yl]propan-2-ol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Murray, J.M. | | Deposit date: | 2012-07-26 | | Release date: | 2012-08-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.438 Å) | | Cite: | Potent and highly selective benzimidazole inhibitors of PI3-kinase delta.
J.Med.Chem., 55, 2012
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7BR7
 | | Epstein-Barr virus, C1 portal-proximal penton vertex, CATC binding | | Descriptor: | Capsid vertex component 1, Capsid vertex component 2, Large tegument protein deneddylase, ... | | Authors: | Li, Z, Yu, X. | | Deposit date: | 2020-03-26 | | Release date: | 2020-09-30 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | CryoEM structure of the tegumented capsid of Epstein-Barr virus.
Cell Res., 30, 2020
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7BR8
 | | Epstein-Barr virus, C5 penton vertex, CATC absent. | | Descriptor: | Major capsid protein, Small capsomere-interacting protein, Triplex capsid protein 1, ... | | Authors: | Li, Z, Yu, X. | | Deposit date: | 2020-03-26 | | Release date: | 2020-09-30 | | Last modified: | 2020-10-14 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | CryoEM structure of the tegumented capsid of Epstein-Barr virus.
Cell Res., 30, 2020
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7BSI
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7BQT
 | | Epstein-Barr virus, C12 portal dodecamer | | Descriptor: | Portal protein | | Authors: | Li, Z, Yu, X. | | Deposit date: | 2020-03-25 | | Release date: | 2020-09-30 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | CryoEM structure of the tegumented capsid of Epstein-Barr virus.
Cell Res., 30, 2020
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7BQX
 | | Epstein-Barr virus, C5 portal vertex | | Descriptor: | Capsid vertex component 1, Capsid vertex component 2, Large tegument protein deneddylase, ... | | Authors: | Li, Z, Yu, X. | | Deposit date: | 2020-03-25 | | Release date: | 2020-09-30 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | CryoEM structure of the tegumented capsid of Epstein-Barr virus.
Cell Res., 30, 2020
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7ETJ
 | | C5 portal vertex in the partially-enveloped virion capsid | | Descriptor: | Capsid vertex component 1, Capsid vertex component 2, Large tegument protein deneddylase, ... | | Authors: | Li, Z, Yu, X. | | Deposit date: | 2021-05-13 | | Release date: | 2021-07-14 | | Last modified: | 2021-08-18 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structural basis for genome packaging, retention, and ejection in human cytomegalovirus.
Nat Commun, 12, 2021
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7ET2
 | | Human Cytomegalovirus, C12 portal | | Descriptor: | Portal protein | | Authors: | Li, Z, Yu, X. | | Deposit date: | 2021-05-12 | | Release date: | 2021-07-14 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structural basis for genome packaging, retention, and ejection in human cytomegalovirus.
Nat Commun, 12, 2021
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7ETM
 | | C6 portal vertex in the enveloped virion capsid | | Descriptor: | Portal protein | | Authors: | Li, Z, Yu, X. | | Deposit date: | 2021-05-13 | | Release date: | 2021-07-14 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (5.9 Å) | | Cite: | Structural basis for genome packaging, retention, and ejection in human cytomegalovirus.
Nat Commun, 12, 2021
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7ETO
 | | C1 CVSC-binding penton vertex in the virion capsid of Human Cytomegalovirus | | Descriptor: | Capsid vertex component 1, Capsid vertex component 2, Large tegument protein deneddylase, ... | | Authors: | Li, Z, Yu, X. | | Deposit date: | 2021-05-13 | | Release date: | 2021-07-14 | | Last modified: | 2021-08-18 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structural basis for genome packaging, retention, and ejection in human cytomegalovirus.
Nat Commun, 12, 2021
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7ET3
 | | C5 portal vertex in the enveloped virion capsid | | Descriptor: | Capsid vertex component 1, Capsid vertex component 2, Large tegument protein deneddylase, ... | | Authors: | Li, Z, Yu, X. | | Deposit date: | 2021-05-12 | | Release date: | 2021-07-14 | | Last modified: | 2021-08-18 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structural basis for genome packaging, retention, and ejection in human cytomegalovirus.
Nat Commun, 12, 2021
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2ATI
 | | Glycogen Phosphorylase Inhibitors | | Descriptor: | Glycogen phosphorylase, liver form, N-(2-CHLORO-4-FLUOROBENZOYL)-N'-(5-HYDROXY-2-METHOXYPHENYL)UREA, ... | | Authors: | Klabunde, T, Wendt, K.U, Kadereit, D, Brachvogel, V, Burger, H.J, Herling, A.W, Oikonomakos, N.G, Schmoll, D, Sarubbi, E, von Roedern, E, Schoenafinger, K, Defossa, E. | | Deposit date: | 2005-08-25 | | Release date: | 2006-08-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Acyl ureas as human liver glycogen phosphorylase inhibitors for the treatment of type 2 diabetes.
J.Med.Chem., 48, 2005
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1LAH
 | | STRUCTURAL BASES FOR MULTIPLE LIGAND SPECIFICITY OF THE PERIPLASMIC LYSINE-, ARGININE-, ORNITHINE-BINDING PROTEIN | | Descriptor: | L-ornithine, LYSINE, ARGININE, ... | | Authors: | Kim, S.-H, Oh, B.-H. | | Deposit date: | 1993-10-06 | | Release date: | 1995-07-10 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Structural basis for multiple ligand specificity of the periplasmic lysine-, arginine-, ornithine-binding protein.
J.Biol.Chem., 269, 1994
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1LAF
 | | STRUCTURAL BASES FOR MULTIPLE LIGAND SPECIFICITY OF THE PERIPLASMIC LYSINE-, ARGININE-, ORNITHINE-BINDING PROTEIN | | Descriptor: | ARGININE, LYSINE, ORNITHINE-BINDING PROTEIN | | Authors: | Kim, S.-H, Oh, B.-H. | | Deposit date: | 1993-10-06 | | Release date: | 1995-07-10 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Structural basis for multiple ligand specificity of the periplasmic lysine-, arginine-, ornithine-binding protein.
J.Biol.Chem., 269, 1994
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1LAG
 | | STRUCTURAL BASES FOR MULTIPLE LIGAND SPECIFICITY OF THE PERIPLASMIC LYSINE-, ARGININE-, ORNITHINE-BINDING PROTEIN | | Descriptor: | HISTIDINE, LYSINE, ARGININE, ... | | Authors: | Kim, S.-H, Oh, B.-H. | | Deposit date: | 1993-10-06 | | Release date: | 1995-07-10 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Structural basis for multiple ligand specificity of the periplasmic lysine-, arginine-, ornithine-binding protein.
J.Biol.Chem., 269, 1994
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1HPB
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5OGN
 | | Metalacarborane inhibitors of Carbonic Anhydrase IX | | Descriptor: | Carbonic anhydrase 2, ZINC ION, cobaltcarborane | | Authors: | Brynda, J, Rezacova, P, Pospisilova, K, Kugler, M, Gruner, B, Sicha, V. | | Deposit date: | 2017-07-13 | | Release date: | 2018-08-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Metallacarborane Sulfamides: Unconventional, Specific, and Highly Selective Inhibitors of Carbonic Anhydrase IX.
J.Med.Chem., 2019
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4ZVV
 | | Lactate dehydrogenase A in complex with a trisubstituted piperidine-2,4-dione inhibitor GNE-140 | | Descriptor: | (2~{R})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one, L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Li, Y, Chen, Z, Eigenbrot, C. | | Deposit date: | 2015-05-18 | | Release date: | 2016-05-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Metabolic plasticity underpins innate and acquired resistance to LDHA inhibition.
Nat.Chem.Biol., 12, 2016
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5OGP
 | | Metalacarborane inhibitors of Carbonic Anhydrase IX | | Descriptor: | Carbonic anhydrase 2, ZINC ION, cobaltcarborane | | Authors: | Brynda, J, Rezacova, P, Pospisilova, K, Kugler, M, Gruner, B, Sicha, V. | | Deposit date: | 2017-07-13 | | Release date: | 2018-08-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Metallacarborane Sulfamides: Unconventional, Specific, and Highly Selective Inhibitors of Carbonic Anhydrase IX.
J.Med.Chem., 2019
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7F3B
 | | cocrystallization of Escherichia coli dihydrofolate reductase (DHFR) and its pyrrolo[3,2-f]quinazoline inhibitor. | | Descriptor: | 7-[(2-fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine, Dihydrofolate reductase, GLYCEROL | | Authors: | Wang, H, You, X.F, Yang, X.Y, Li, Y, Hong, W. | | Deposit date: | 2021-06-16 | | Release date: | 2022-04-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | The discovery of 1, 3-diamino-7H-pyrrol[3, 2-f]quinazoline compounds as potent antimicrobial antifolates.
Eur.J.Med.Chem., 228, 2022
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5V03
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