6IHI
 
 | | Crystal structure of RasADH 3B3/I91V from Ralstonia.sp in complex with NADPH and A6O | | Descriptor: | (2R,3S)-2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one, Alclohol dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zhang, H.L, Chen, X, Liu, W.D, Wu, Q.Q, Zhu, D.M. | | Deposit date: | 2018-09-30 | | Release date: | 2019-10-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Efficient reductive desymmetrization of bulky 1,3-cyclodiketones enabled by structure-guided directed evolution of a carbonyl reductase.
Nat Catal, 2, 2019
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6IHH
 | | Crystal structure of RasADH F12 from Ralstonia.sp in complex with NADPH and A6O | | Descriptor: | (2R,3S)-2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one, Alclohol dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zhang, H.L, Chen, X, Liu, W.D, Wu, Q.Q, Zhu, D.M. | | Deposit date: | 2018-09-30 | | Release date: | 2019-10-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Efficient reductive desymmetrization of bulky 1,3-cyclodiketones enabled by structure-guided directed evolution of a carbonyl reductase.
Nat Catal, 2, 2019
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4WQ6
 | | The crystal structure of human Nicotinamide phosphoribosyltransferase (NAMPT) in complex with N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide inhibitor (compound 21) | | Descriptor: | 1,2-ETHANEDIOL, N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Li, D, Wang, W. | | Deposit date: | 2014-10-21 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Identification of nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with no evidence of CYP3A4 time-dependent inhibition and improved aqueous solubility.
Bioorg.Med.Chem.Lett., 25, 2015
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1B4P
 | | CRYSTAL STRUCTURES OF CLASS MU CHIMERIC GST ISOENZYMES M1-2 AND M2-1 | | Descriptor: | L-gamma-glutamyl-S-[(9S,10S)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine, PROTEIN (GLUTATHIONE S-TRANSFERASE), SULFATE ION | | Authors: | Xiao, G, Chen, J, Armstrong, R.N, Gilliland, G.L. | | Deposit date: | 1998-12-26 | | Release date: | 2003-07-08 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structures of Class MU Chimeric GST Isoenzymes M1-2 and M2-1
To be Published
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1FDK
 | | CARBOXYLIC ESTER HYDROLASE (PLA2-MJ33 INHIBITOR COMPLEX) | | Descriptor: | 1-DECYL-3-TRIFLUORO ETHYL-SN-GLYCERO-2-PHOSPHOMETHANOL, CALCIUM ION, PHOSPHOLIPASE A2 | | Authors: | Sundaralingam, M. | | Deposit date: | 1997-09-04 | | Release date: | 1998-10-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Crystal structure of the complex of bovine pancreatic phospholipase A2 with the inhibitor 1-hexadecyl-3-(trifluoroethyl)-sn-glycero-2-phosphomethanol,.
Biochemistry, 36, 1997
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7YW4
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7YW2
 | | Crystal structure of tRNA 2'-phosphotransferase from Mus musculus | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, GLYCINE, ... | | Authors: | Yang, X.Y, Liu, X.H. | | Deposit date: | 2022-08-21 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Structural and biochemical insights into the molecular mechanism of TRPT1 for nucleic acid ADP-ribosylation.
Nucleic Acids Res., 51, 2023
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7YW3
 | | Crystal structure of tRNA 2'-phosphotransferase from Homo sapiens | | Descriptor: | 1,2-ETHANEDIOL, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate, tRNA 2'-phosphotransferase 1 | | Authors: | Yang, X.Y, Liu, X.H. | | Deposit date: | 2022-08-21 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and biochemical insights into the molecular mechanism of TRPT1 for nucleic acid ADP-ribosylation.
Nucleic Acids Res., 51, 2023
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1MKV
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5ISL
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5IVC
 | | Linked KDM5A Jmj Domain Bound to the Inhibitor N3 (4'-[(2-phenylethyl)carbamoyl][2,2'-bipyridine]-4-carboxylic acid) | | Descriptor: | 1,2-ETHANEDIOL, 4'-[(2-phenylethyl)carbamoyl][2,2'-bipyridine]-4-carboxylic acid, GLYCEROL, ... | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2016-03-20 | | Release date: | 2016-07-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.573 Å) | | Cite: | Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
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5IVB
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5IWF
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5IVF
 | | Linked KDM5A Jmj Domain Bound to the Inhibitor N10 8-(1-methyl-1H-imidazol-4-yl)-2-(4,4,4-trifluorobutoxy)pyrido[3,4-d]pyrimidin-4-ol | | Descriptor: | 8-(1-methyl-1H-imidazol-4-yl)-2-(4,4,4-trifluorobutoxy)pyrido[3,4-d]pyrimidin-4-ol, Lysine-specific demethylase 5A, MANGANESE (II) ION | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2016-03-20 | | Release date: | 2016-07-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.683 Å) | | Cite: | Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
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5IVV
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5IVJ
 | | Linked KDM5A Jmj Domain Bound to the Inhibitor N11 [3-({1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-fluoro-1H-indazol-3-yl}amino)pyridine-4-carboxylic acid] | | Descriptor: | 3-({1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-fluoro-1H-indazol-3-yl}amino)pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2016-03-21 | | Release date: | 2016-07-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.569 Å) | | Cite: | Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
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5IVY
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5IVE
 | | Linked KDM5A Jmj Domain Bound to the Inhibitor N8 ( 5-methyl-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile) | | Descriptor: | 5-methyl-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, Lysine-specific demethylase 5A, MANGANESE (II) ION | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2016-03-20 | | Release date: | 2016-07-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.783 Å) | | Cite: | Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
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5IW0
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7YUY
 | | Structure of a mutated membrane-bound glycosyltransferase | | Descriptor: | (11R,14S)-17-amino-14-hydroxy-8,14-dioxo-9,13,15-trioxa-14lambda~5~-phosphaheptadecan-11-yl decanoate, 1,3-beta-glucan synthase component FKS1, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Hu, X.L, Yang, P, Zhang, M, Liu, X.T, Yu, H.J. | | Deposit date: | 2022-08-18 | | Release date: | 2023-03-29 | | Last modified: | 2023-04-19 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural and mechanistic insights into fungal beta-1,3-glucan synthase FKS1.
Nature, 616, 2023
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1CC0
 | | CRYSTAL STRUCTURE OF THE RHOA.GDP-RHOGDI COMPLEX | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, rho GDP dissociation inhibitor alpha, ... | | Authors: | Longenecker, K.L, Read, P, Derewenda, U, Dauter, Z, Garrard, S, Walker, L, Somlyo, A.V, Somlyo, A.P, Nakamoto, R.K, Derewenda, Z.S. | | Deposit date: | 1999-03-03 | | Release date: | 2000-01-07 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (5 Å) | | Cite: | How RhoGDI binds Rho.
Acta Crystallogr.,Sect.D, 55, 1999
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8WC4
 | | Cryo-EM structure of the ZH8651-bound mTAAR1-Gs complex | | Descriptor: | 2-(4-bromophenyl)ethanamine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P. | | Deposit date: | 2023-09-11 | | Release date: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
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8WC3
 | | Cryo-EM structure of the SEP363856-bound mTAAR1-Gs complex | | Descriptor: | 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P. | | Deposit date: | 2023-09-11 | | Release date: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
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8WCA
 | | Cryo-EM structure of the PEA-bound hTAAR1-Gs complex | | Descriptor: | 2-PHENYLETHYLAMINE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P. | | Deposit date: | 2023-09-11 | | Release date: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (3.48 Å) | | Cite: | Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
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8WC5
 | | Cryo-EM structure of the TMA-bound mTAAR1-Gs complex | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | | Authors: | Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P. | | Deposit date: | 2023-09-11 | | Release date: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
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