1DYG
 
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6MK4
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4MOK
 | | Pyranose 2-oxidase H167A mutant soaked with 3-fluorinated galactose (not bound) | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DODECAETHYLENE GLYCOL, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Tan, T.C, Spadiut, O, Gandini, R, Haltrich, D, Divne, C. | | 登録日 | 2013-09-12 | | 公開日 | 2014-02-05 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural Basis for Binding of Fluorinated Glucose and Galactose to Trametes multicolor Pyranose 2-Oxidase Variants with Improved Galactose Conversion.
Plos One, 9, 2014
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4K9U
 | | Complex of human CYP3A4 with a desoxyritonavir analog | | 分子名称: | Cytochrome P450 3A4, N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2S,5S)-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-D-valinamide, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Sevrioukova, I.F, Poulos, T.L. | | 登録日 | 2013-04-21 | | 公開日 | 2013-06-19 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues.
Biochemistry, 52, 2013
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6N2I
 | | Lon protease AAA+ domain | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, DNA-binding ATP-dependent protease La | | 著者 | Botos, I, Li, M, Wlodawer, A, Gustchina, A. | | 登録日 | 2018-11-13 | | 公開日 | 2019-07-10 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | New insights into structural and functional relationships between LonA proteases and ClpB chaperones.
Febs Open Bio, 9, 2019
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4OUI
 | | Structure of Vibrio cholerae chitin de-N-acetylase in complex with TRIACETYLCHITOTRIOSE (CTO) | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Deacetylase DA1, ... | | 著者 | Albesa-Jove, D, Andres, E, Biarnes, X, Planas, A, Guerin, M.E. | | 登録日 | 2014-02-17 | | 公開日 | 2014-08-13 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | Structural basis of chitin oligosaccharide deacetylation.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4O98
 | | Crystal structure of Pseudomonas oleovorans PoOPH mutant H250I/I263W | | 分子名称: | ZINC ION, organophosphorus hydrolase | | 著者 | Luo, X.J, Kong, X.D, Zhao, J, Chen, Q, Zhou, J.H, Xu, J.H. | | 登録日 | 2014-01-02 | | 公開日 | 2014-12-03 | | 最終更新日 | 2017-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.251 Å) | | 主引用文献 | Switching a newly discovered lactonase into an efficient and thermostable phosphotriesterase by simple double mutations His250Ile/Ile263Trp
Biotechnol.Bioeng., 111, 2014
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1D1X
 | | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 1,4-PBITU (H4B BOUND) | | 分子名称: | 2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | 著者 | Raman, C.S, Li, H, Martasek, P, Southan, G.J, Masters, B.S.S, Poulos, T.L. | | 登録日 | 1999-09-21 | | 公開日 | 2001-07-25 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Implications for isoform-selective inhibitor design derived from the binding mode of bulky isothioureas to the heme domain of endothelial nitric-oxide synthase.
J.Biol.Chem., 276, 2001
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4K45
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4K9X
 | | Complex of human CYP3A4 with a desoxyritonavir analog | | 分子名称: | 1,3-thiazol-5-ylmethyl [(2R,5R)-5-{[(2S)-2-methylbutanoyl]amino}-1,6-diphenylhexan-2-yl]carbamate, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Sevrioukova, I.F, Poulos, T.L. | | 登録日 | 2013-04-21 | | 公開日 | 2013-06-19 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.76 Å) | | 主引用文献 | Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues.
Biochemistry, 52, 2013
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1DYD
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1DYF
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1DYC
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7SNC
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4LVX
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7SZQ
 | | Human P300 complexed with an azaindazole inhibitor | | 分子名称: | 1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-1H-pyrazolo[4,3-b]pyridin-5-yl-D-prolinamide, Histone acetyltransferase p300 | | 著者 | Shewchuk, L.M, Reid, R.A. | | 登録日 | 2021-11-29 | | 公開日 | 2022-11-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Discovery of Proline-Based p300/CBP Inhibitors Using DNA-Encoded Library Technology in Combination with High-Throughput Screening.
J.Med.Chem., 65, 2022
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7SSK
 | | Human P300 complexed with a glycine-based inhibitor | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Histone acetyltransferase p300, ... | | 著者 | Shewchuk, L.M, Reid, R.A. | | 登録日 | 2021-11-11 | | 公開日 | 2022-11-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Discovery of Proline-Based p300/CBP Inhibitors Using DNA-Encoded Library Technology in Combination with High-Throughput Screening.
J.Med.Chem., 65, 2022
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7SS8
 | | Human P300 complexed with a proline-based inhibitor | | 分子名称: | 1,2-ETHANEDIOL, 1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-{[3-(methylcarbamoyl)phenyl]methyl}-D-prolinamide, Histone acetyltransferase p300, ... | | 著者 | Shewchuk, L.M, Reid, R.A. | | 登録日 | 2021-11-10 | | 公開日 | 2022-11-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Discovery of Proline-Based p300/CBP Inhibitors Using DNA-Encoded Library Technology in Combination with High-Throughput Screening.
J.Med.Chem., 65, 2022
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4DJZ
 | | Catalytic fragment of masp-1 in complex with its specific inhibitor developed by directed evolution on sgci scaffold | | 分子名称: | Mannan-binding lectin serine protease 1 heavy chain, Mannan-binding lectin serine protease 1 light chain, Protease inhibitor SGPI-2 | | 著者 | Heja, D, Harmat, V, Fodor, K, Wilmanns, M, Dobo, J, Kekesi, K.A, Zavodszky, P, Gal, P, Pal, G. | | 登録日 | 2012-02-03 | | 公開日 | 2012-04-25 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Monospecific Inhibitors Show That Both Mannan-binding Lectin-associated Serine Protease-1 (MASP-1) and -2 Are Essential for Lectin Pathway Activation and Reveal Structural Plasticity of MASP-2.
J.Biol.Chem., 287, 2012
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7SLS
 | | HIV Reverse Transcriptase with compound Pyr02 | | 分子名称: | 5-(difluoromethyl)-3-{[1-{[(3S)-5-fluoro-2-methyl-6-oxo-3,6-dihydropyridin-3-yl]methyl}-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl]oxy}-2-methylbenzonitrile, Reverse transcriptase/ribonuclease H | | 著者 | Klein, D.J, Zebisch, M, Gu, M. | | 登録日 | 2021-10-24 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.078 Å) | | 主引用文献 | Potent targeted activator of cell kill molecules eliminate cells expressing HIV-1.
Sci Transl Med, 15, 2023
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4LRE
 | | Phosphopentomutase soaked with 2,3-dideoxyribose 5-phosphate | | 分子名称: | 2,3-dideoxy-5-O-phosphono-alpha-D-ribofuranose, MANGANESE (II) ION, Phosphopentomutase | | 著者 | Birmingham, W.A, Starbird, C.A, Panosian, T.D, Nannemann, D.P, Iverson, T.M, Bachmann, B.O. | | 登録日 | 2013-07-19 | | 公開日 | 2013-07-31 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Bioretrosynthetic construction of a didanosine biosynthetic pathway.
Nat.Chem.Biol., 10, 2014
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7SLR
 | | HIV Reverse Transcriptase with compound Pyr01 | | 分子名称: | 5-(difluoromethyl)-3-({1-[(5-fluoro-2-oxo-1,2-dihydropyridin-3-yl)methyl]-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl}oxy)-2-methylbenzonitrile, Reverse transcriptase/ribonuclease H | | 著者 | Klein, D.J, Zebisch, M, Gu, M. | | 登録日 | 2021-10-24 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.179 Å) | | 主引用文献 | Potent targeted activator of cell kill molecules eliminate cells expressing HIV-1.
Sci Transl Med, 15, 2023
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4E0D
 | | Binary complex of Bacillus DNA Polymerase I Large Fragment E658A and duplex DNA | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | 著者 | Wang, W, Beese, L.S. | | 登録日 | 2012-03-02 | | 公開日 | 2012-06-06 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Structural factors that determine selectivity of a high fidelity DNA polymerase for deoxy-, dideoxy-, and ribonucleotides.
J.Biol.Chem., 287, 2012
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4LRA
 | | Phosphopentomutase S154G variant | | 分子名称: | GLYCEROL, MANGANESE (II) ION, Phosphopentomutase | | 著者 | Birmingham, W.A, Starbird, C.A, Panosian, T.D, Nannemann, D.P, Iverson, T.M, Bachmann, B.O. | | 登録日 | 2013-07-19 | | 公開日 | 2013-07-31 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Bioretrosynthetic construction of a didanosine biosynthetic pathway.
Nat.Chem.Biol., 10, 2014
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3N6G
 | | Structure of endothelial nitric oxide synthase N368D single mutant heme domain complexed with 4-(2-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)ethyl)-6-methylpyridin-2-amine | | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-3-yl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ... | | 著者 | Delker, S.L, Li, H, Poulos, T.L. | | 登録日 | 2010-05-25 | | 公開日 | 2011-02-09 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase .
Biochemistry, 49, 2010
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