7MU6
 
 | | Ask1 bound to compound 28 | | Descriptor: | 2-methoxy-N-(6-{4-[(2S)-1,1,1-trifluoropropan-2-yl]-4H-1,2,4-triazol-3-yl}pyridin-2-yl)pyridine-3-carboxamide, Mitogen-activated protein kinase kinase kinase 5 | | Authors: | Chodaparambil, J.V, Marcotte, D.J. | | Deposit date: | 2021-05-14 | | Release date: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (2.165 Å) | | Cite: | Discovery of Potent, Selective, and Brain-Penetrant Apoptosis Signal-Regulating Kinase 1 (ASK1) Inhibitors that Modulate Brain Inflammation In Vivo.
J.Med.Chem., 64, 2021
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5YUQ
 | | The high resolution structure of chitinase (RmChi1) from the thermophilic fungus Rhizomucor miehei (sp P1) | | Descriptor: | Chintase | | Authors: | Jiang, Z.Q, Hu, S.Q, Liu, Y.C, Qin, Z, Yan, Q.J, Yang, S.Q. | | Deposit date: | 2017-11-23 | | Release date: | 2018-11-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Crystal structure of a chitinase (RmChiA) from the thermophilic fungus Rhizomucor miehei with a real active site tunnel.
Biochim Biophys Acta Proteins Proteom, 2021
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5HBA
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3VY7
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5HBZ
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2GVF
 | | HCV NS3-4A protease domain complexed with a macrocyclic ketoamide inhibitor, SCH419021 | | Descriptor: | (6R,8S,11S)-11-CYCLOHEXYL-N-(1-{[(2-{[(1S)-2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO}-2-OXOETHYL)AMINO](OXO)ACETYL}BUTYL)-10,13-DIOXO-2,5-DIOXA-9,12-DIAZATRICYCLO[14.3.1.1~6,9~]HENICOSA-1(20),16,18-TRIENE-8-CARBOXAMIDE, Polyprotein, ZINC ION, ... | | Authors: | Arasappan, A, Njoroge, F.G, Chen, K.X, Venkatraman, S, Parekh, T.N, Gu, H, Pichardo, J, Butkiewicz, N, Prongay, A, Madison, V, Girijavallabhan, V. | | Deposit date: | 2006-05-02 | | Release date: | 2007-01-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | P2-P4 macrocyclic inhibitors of hepatitis C virus NS3-4A serine protease.
Bioorg.Med.Chem.Lett., 16, 2006
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3VZF
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3VZG
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3E6U
 | | Crystal structure of Human LanCL1 | | Descriptor: | LanC-like protein 1, ZINC ION | | Authors: | Zhang, W, Zhu, G, Li, X, Rao, Z, Zhang, C. | | Deposit date: | 2008-08-16 | | Release date: | 2009-06-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of human lanthionine synthetase C-like protein 1 and its interaction with Eps8 and glutathione
Genes Dev., 23, 2009
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2LWZ
 | | NMR Structures of Single-chain Insulin | | Descriptor: | SINGLE-CHAIN INSULIN | | Authors: | Weiss, M.A, Yang, Y. | | Deposit date: | 2012-08-09 | | Release date: | 2013-08-28 | | Last modified: | 2024-11-06 | | Method: | SOLUTION NMR | | Cite: | Dynamic repair of an amyloidogenic protein: Insulin fibrillation is blocked by tethering a nascent alpha-helix
To be Published
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3EB7
 | | Crystal Structure of Insecticidal Delta-Endotoxin Cry8Ea1 from Bacillus Thuringiensis at 2.2 Angstroms Resolution | | Descriptor: | ACETATE ION, Insecticidal Delta-Endotoxin Cry8Ea1, SULFATE ION | | Authors: | Guo, S, Ye, S, Song, F, Zhang, J, Wei, L, Shu, C.L. | | Deposit date: | 2008-08-27 | | Release date: | 2008-09-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of Bacillus thuringiensis Cry8Ea1: An insecticidal toxin toxic to underground pests, the larvae of Holotrichia parallela.
J.Struct.Biol., 168, 2009
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3DCU
 | | FXR with SRC1 and GSK8062 | | Descriptor: | 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)naphthalene-1-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1 | | Authors: | Williams, S.P, Madauss, K.P. | | Deposit date: | 2008-06-04 | | Release date: | 2008-08-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Conformationally constrained farnesoid X receptor (FXR) agonists: Naphthoic acid-based analogs of GW 4064.
Bioorg.Med.Chem.Lett., 18, 2008
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3E73
 | | Crystal Structure of Human LanCL1 complexed with GSH | | Descriptor: | GLUTATHIONE, LanC-like protein 1, ZINC ION | | Authors: | Zhang, W, Zhu, G, Li, X, Rao, Z, Zhang, C. | | Deposit date: | 2008-08-17 | | Release date: | 2009-06-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of human lanthionine synthetase C-like protein 1 and its interaction with Eps8 and glutathione
Genes Dev., 23, 2009
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2L8L
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8FBT
 | | Crystal structure of Cryptosporidium parvum N-myristoyltransferase with bound myristoyl-CoA | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Staker, B.L, Fenwick, M.K, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2022-11-30 | | Release date: | 2023-05-31 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Identification of and Structural Insights into Hit Compounds Targeting N -Myristoyltransferase for Cryptosporidium Drug Development.
Acs Infect Dis., 9, 2023
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8FBM
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8FBU
 | | Crystal structure of Cryptosporidium parvum N-myristoyltransferase with bound myristoyl-CoA and Compound-2 | | Descriptor: | (2M)-2-[2-(piperazin-1-yl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Staker, B.L, Fenwick, M.K, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2022-11-30 | | Release date: | 2023-05-31 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification of and Structural Insights into Hit Compounds Targeting N -Myristoyltransferase for Cryptosporidium Drug Development.
Acs Infect Dis., 9, 2023
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7XF0
 | | Crystal strucutre of CasDinG in complex with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CasDinG | | Authors: | Zhang, J.T, Cui, N, Liu, Y.R, Huang, H.D, Jia, N. | | Deposit date: | 2022-03-31 | | Release date: | 2023-07-26 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Type IV-A CRISPR-Csf complex: Assembly, dsDNA targeting, and CasDinG recruitment.
Mol.Cell, 83, 2023
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7XF1
 | | Crystal strucutre of apoCasDinG in complex with ssDNA | | Descriptor: | CasDinG, DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3') | | Authors: | Zhang, J.T, Cui, N, Liu, Y.R, Huang, H.D, Jia, N. | | Deposit date: | 2022-03-31 | | Release date: | 2023-07-26 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Type IV-A CRISPR-Csf complex: Assembly, dsDNA targeting, and CasDinG recruitment.
Mol.Cell, 83, 2023
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7XEX
 | | Crystal strucutre of apoCasDinG | | Descriptor: | CasDinG | | Authors: | Zhang, J.T, Cui, N, Liu, Y.R, Huang, H.D, Jia, N. | | Deposit date: | 2022-03-31 | | Release date: | 2023-07-26 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Type IV-A CRISPR-Csf complex: Assembly, dsDNA targeting, and CasDinG recruitment.
Mol.Cell, 83, 2023
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8GS5
 | | Crystal structure of a constitutively active mutant of human IDH3 holoenzyme in apo form | | Descriptor: | Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial, Isocitrate dehydrogenase [NAD] subunit gamma, ... | | Authors: | Sun, P, Chen, X, Ding, J. | | Deposit date: | 2022-09-04 | | Release date: | 2022-11-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (4.486 Å) | | Cite: | Structures of a constitutively active mutant of human IDH3 reveal new insights into the mechanisms of allosteric activation and the catalytic reaction.
J.Biol.Chem., 298, 2022
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8GRG
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8GRD
 | | Crystal structure of a constitutively active mutant of the alpha beta heterodimer of human IDH3 in complex with ADP and Mg | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial, ... | | Authors: | Chen, X, Sun, P, Ding, J. | | Deposit date: | 2022-09-01 | | Release date: | 2022-11-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.699 Å) | | Cite: | Structures of a constitutively active mutant of human IDH3 reveal new insights into the mechanisms of allosteric activation and the catalytic reaction.
J.Biol.Chem., 298, 2022
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8GRH
 | | Crystal structure of a constitutively active mutant of the alpha gamma heterodimer of human IDH3 in complex with CIT | | Descriptor: | CITRIC ACID, Human IDH3 alpha subunit, Isocitrate dehydrogenase [NAD] subunit gamma, ... | | Authors: | Sun, P, Chen, X, Ding, J. | | Deposit date: | 2022-09-01 | | Release date: | 2022-11-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.506 Å) | | Cite: | Structures of a constitutively active mutant of human IDH3 reveal new insights into the mechanisms of allosteric activation and the catalytic reaction.
J.Biol.Chem., 298, 2022
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8GRU
 | | Crystal structure of a constitutively active mutant of the alpha beta heterodimer of human IDH3 in complex with ICT, NAD and Ca | | Descriptor: | CALCIUM ION, Human IDH3 alpha subunit, ISOCITRIC ACID, ... | | Authors: | Sun, P, Chen, X, Ding, J. | | Deposit date: | 2022-09-02 | | Release date: | 2022-11-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.847 Å) | | Cite: | Structures of a constitutively active mutant of human IDH3 reveal new insights into the mechanisms of allosteric activation and the catalytic reaction.
J.Biol.Chem., 298, 2022
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