5KHG
| HCN2 CNBD in complex with cytidine-3', 5'-cyclic monophosphate (cCMP) | Descriptor: | 4-amino-1-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidin-2(1H)-one, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2 | Authors: | Ng, L.C.T, Putrenko, I, Baronas, V, Van Petegem, F, Accili, E.A. | Deposit date: | 2016-06-14 | Release date: | 2016-09-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.241 Å) | Cite: | Cyclic Purine and Pyrimidine Nucleotides Bind to the HCN2 Ion Channel and Variably Promote C-Terminal Domain Interactions and Opening. Structure, 24, 2016
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3MDV
| Clotrimazole complex of Cytochrome P450 46A1 | Descriptor: | 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mast, N, Charvet, C, Pikuleva, I, Stout, C.D. | Deposit date: | 2010-03-30 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis of drug binding to CYP46A1, an enzyme that controls cholesterol turnover in the brain. J.Biol.Chem., 285, 2010
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2IBA
| Urate oxidase from Aspergillus flavus complexed with its inhibitor 8-azaxanthine | Descriptor: | 8-AZAXANTHINE, SODIUM ION, Uricase | Authors: | Colloc'h, N, Retailleau, P, Sopkova-de Oliveira Santos, J, Prange, T. | Deposit date: | 2006-09-11 | Release date: | 2007-02-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Protein Crystallography under Xenon and Nitrous Oxide Pressure: Comparison with In Vivo Pharmacology Studies and Implications for the Mechanism of Inhaled Anesthetic Action Biophys.J., 92, 2007
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6DTS
| Maltotetraose bound T. maritima MalE2 | Descriptor: | alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, maltose-binding protein MalE2 | Authors: | Cuneo, M.J, Shukla, S. | Deposit date: | 2018-06-18 | Release date: | 2018-09-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Differential Substrate Recognition by Maltose Binding Proteins Influenced by Structure and Dynamics. Biochemistry, 57, 2018
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3BOX
| Crystal structure of L-rhamnonate dehydratase from Salmonella typhimurium complexed with Mg | Descriptor: | L-rhamnonate dehydratase, MAGNESIUM ION | Authors: | Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-12-18 | Release date: | 2008-01-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Evolution of enzymatic activities in the enolase superfamily: L-rhamnonate dehydratase. Biochemistry, 47, 2008
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5KHH
| HCN2 CNBD in complex with inosine-3', 5'-cyclic monophosphate (cIMP) | Descriptor: | Inosine-3',5'-cyclic monophosphate, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2 | Authors: | Ng, L.C.T, Putrenko, I, Baronas, V, Van Petegem, F, Accili, E.A. | Deposit date: | 2016-06-14 | Release date: | 2016-09-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Cyclic Purine and Pyrimidine Nucleotides Bind to the HCN2 Ion Channel and Variably Promote C-Terminal Domain Interactions and Opening. Structure, 24, 2016
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3E0V
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5YTM
| C135A mutant of copper-containing nitrite reductase from Geobacillus thermodenitrificans determined by in-ouse source | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, ACETIC ACID, COPPER (II) ION, ... | Authors: | Fukuda, Y, Matsusaki, T, Tse, K.M, Mizohata, E, Murphy, M.E.P, Inoue, T. | Deposit date: | 2017-11-19 | Release date: | 2018-08-22 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystallographic study of dioxygen chemistry in a copper-containing nitrite reductase from Geobacillus thermodenitrificans. Acta Crystallogr D Struct Biol, 74, 2018
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3E4E
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1QXR
| Crystal structure of phosphoglucose isomerase from Pyrococcus furiosus in complex with 5-phosphoarabinonate | Descriptor: | 5-PHOSPHOARABINONIC ACID, Glucose-6-phosphate isomerase, NICKEL (II) ION | Authors: | Swan, M.K, Solomons, J.T.G, Beeson, C.C, Hansen, P, Schonheit, P, Davies, C. | Deposit date: | 2003-09-08 | Release date: | 2003-12-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural evidence for a hydride transfer mechanism of catalysis in phosphoglucose isomerase from Pyrococcus furiosus J.Biol.Chem., 278, 2003
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2WD8
| PTERIDINE REDUCTASE 1 (PTR1) FROM TRYPANOSOMA BRUCEI IN COMPLEX WITH NADP AND DDD00071204 | Descriptor: | 1-(3,4-DICHLOROBENZYL)-7-PHENYL-1H-BENZIMIDAZOL-2-AMINE, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Robinson, D.A, Wyatt, P.G, Spinks, D, Brenk, R. | Deposit date: | 2009-03-20 | Release date: | 2009-06-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | One Scaffold, Three Binding Modes: Novel and Selective Pteridine Reductase 1 Inhibitors Derived from Fragment Hits Discovered by Virtual Screening. J.Med.Chem., 52, 2009
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1QY4
| Crystal structure of phosphoglucose isomerase from Pyrococcus furiosus in complex with gluconate 6-phosphate | Descriptor: | 6-PHOSPHOGLUCONIC ACID, Glucose-6-phosphate isomerase, NICKEL (II) ION | Authors: | Swan, M.K, Solomons, J.T.G, Beeson, C.C, Hansen, T, Schonheit, P, Davies, C. | Deposit date: | 2003-09-09 | Release date: | 2003-12-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural evidence for a hydride transfer mechanism of catalysis in phosphoglucose isomerase from Pyrococcus furiosus J.Biol.Chem., 278, 2003
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6G4T
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4Q9Y
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4Q7S
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4Q81
| Crystal structure of 1-hydroxy-4,6-dimethylpyridine-2(1H)-thione bound to human carbonic anhydrase II | Descriptor: | 1-hydroxy-4,6-dimethylpyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Martin, D.P, Cohen, S.M. | Deposit date: | 2014-04-25 | Release date: | 2015-03-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Exploring the influence of the protein environment on metal-binding pharmacophores. J.Med.Chem., 57, 2014
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4Q8Z
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2WD7
| PTERIDINE REDUCTASE 1 (PTR1) FROM TRYPANOSOMA BRUCEI IN COMPLEX WITH NADP AND DDD00066750 | Descriptor: | 6-chloro-1H-benzimidazol-2-amine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE | Authors: | Robinson, D.A, Wyatt, P.G, Spinks, D, Brenk, R. | Deposit date: | 2009-03-20 | Release date: | 2009-06-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | One Scaffold, Three Binding Modes: Novel and Selective Pteridine Reductase 1 Inhibitors Derived from Fragment Hits Discovered by Virtual Screening. J.Med.Chem., 52, 2009
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5I9X
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with bosutinib (SKI-606) | Descriptor: | 1,2-ETHANEDIOL, 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, Ephrin type-A receptor 2 | Authors: | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2016-02-21 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.427 Å) | Cite: | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs. ACS Chem. Biol., 11, 2016
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7NC4
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3PDE
| Crystal structure of geranylgeranyl pyrophosphate synthase from Lactobacillus brevis atcc 367 complexed with isoprenyl diphosphate and magnesium | Descriptor: | DIMETHYLALLYL DIPHOSPHATE, Farnesyl-diphosphate synthase, GLYCEROL, ... | Authors: | Patskovsky, Y, Toro, R, Rutter, M, Sauder, J.M, Burley, S.K, Poulter, C.D, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2010-10-22 | Release date: | 2010-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily. Proc.Natl.Acad.Sci.USA, 110, 2013
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7AH2
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7KSA
| Crystal structure of human CYP3A4 with the caged inhibitor | Descriptor: | (tert-butyl {1-[(1-oxo-3-phenyl-1-{[3-(pyridin-3-yl-kappaN)prop-1-en-1-yl]amino}propan-2-yl)sulfanyl]-3-phenylpropan-2-yl}carbamate)(6,6'-dimethyl-2,2'-bipyridine-kappa~2~N~1~,N~1'~)(1~2~,2~2~:2~6~,3~2~-terpyridine-kappa~3~N~1^{1~},N~2^{1~},N~3^{1~})ruthenium, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sevrioukova, I.S. | Deposit date: | 2020-11-21 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Photosensitive Ru(II) Complexes as Inhibitors of the Major Human Drug Metabolizing Enzyme CYP3A4. J.Am.Chem.Soc., 143, 2021
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7KS8
| Crystal structure of human CYP3A4 with the caged inhibitor | Descriptor: | (tert-butyl {1-[(3-oxo-3-{[(pyridin-3-yl-kappaN)methyl]amino}propyl)sulfanyl]-3-phenylpropan-2-yl}carbamate)(6,6'-dimethyl-2,2'-bipyridine-kappa~2~N~1~,N~1'~)(1~2~,2~2~:2~6~,3~2~-terpyridine-kappa~3~N~1^{1~},N~2^{1~},N~3^{1~})ruthenium, Cytochrome P450 3A4, GLYCEROL, ... | Authors: | Sevrioukova, I.S. | Deposit date: | 2020-11-21 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Photosensitive Ru(II) Complexes as Inhibitors of the Major Human Drug Metabolizing Enzyme CYP3A4. J.Am.Chem.Soc., 143, 2021
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7B6G
| Crystal structure of MurE from E.coli in complex with Z1675346324 | Descriptor: | DIMETHYL SULFOXIDE, UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase, trans-3-[(2,6-dimethylpyrimidin-4-yl)(methyl)amino]cyclobutan-1-ol | Authors: | Koekemoer, L, Steindel, M, Fairhead, M, Talon, R, Douangamath, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC) | Deposit date: | 2020-12-07 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.937 Å) | Cite: | Crystal structure of MurE from E.coli To Be Published
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