PDB: 1555 件ウェブページステータス検索Chemie searchBIRD

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4YGJ	NaBr--Interactions between Hofmeister Anions and the Binding Pocket of a Protein 分子名称: BROMIDE ION, Carbonic anhydrase 2, ZINC ION 著者 Fox, J.M, Kang, K, Sherman, W, Heroux, A, Sastry, G.M, Baghbanzadeh, M, Lockett, M.R, Whitesides, G.M. 登録日 2015-02-26 公開日 2015-03-25 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 Interactions between Hofmeister Anions and the Binding Pocket of a Protein. J.Am.Chem.Soc., 137, 2015
6HZX	Protein-aromatic foldamer complex crystal structure 分子名称: 2-(8-azanyl-2-methanoyl-quinolin-4-yl)ethanoic acid, 6-(aminomethyl)pyridine-2-carboxylic acid, 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid, ... 著者 Post, S, Langlois d'Estaintot, B, Fischer, L, Granier, T, Huc, I. 登録日 2018-10-24 公開日 2019-09-18 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.91 Å) 主引用文献 Structure Elucidation of Helical Aromatic Foldamer-Protein Complexes with Large Contact Surface Areas. Chemistry, 25, 2019
5LVS	Self-assembled protein-aromatic foldamer complexes with 2:3 and 2:2:1 stoichiometries 分子名称: 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid, 8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid, 8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid, ... 著者 Jewginski, M, LANGLOIS D'ESTAINTOT, B, Granier, T, Huc, Y. 登録日 2016-09-14 公開日 2017-03-08 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.42 Å) 主引用文献 Self-Assembled Protein-Aromatic Foldamer Complexes with 2:3 and 2:2:1 Stoichiometries. J. Am. Chem. Soc., 139, 2017
5FNL	Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination 分子名称: (~{E})-3-[3-[[3-(2-hydroxy-2-oxoethyl)phenyl]methoxy]phenyl]prop-2-enoic acid, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ... 著者 Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. 登録日 2015-11-15 公開日 2016-09-28 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.59 Å) 主引用文献 Native State Mass Spectrometry, Surface Plasmon Resonance, and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
5FNG	Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination 分子名称: 5-[(4-chlorophenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene, CARBONIC ANHYDRASE 2, ZINC ION 著者 Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. 登録日 2015-11-15 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
5FNM	Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination 分子名称: (~{E})-3-(4-methoxyphenyl)but-2-enoic acid, CARBONIC ANHYDRASE 2, ZINC ION 著者 Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. 登録日 2015-11-15 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.59 Å) 主引用文献 Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
5FNJ	Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination 分子名称: 2-(4-ethoxyphenyl)ethanoic acid, CARBONIC ANHYDRASE 2, CHLORIDE ION, ... 著者 Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. 登録日 2015-11-15 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
5FLR	Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination 分子名称: 1.7.6 4-methylpyrimidine-2-sulfonamide, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ... 著者 Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. 登録日 2015-10-28 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
5FLS	Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination 分子名称: (E)-3-(4-chlorophenyl)but-2-enoic acid, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ... 著者 Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. 登録日 2015-10-28 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
5FNI	Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination 分子名称: 5-[[3,4-bis(chloranyl)phenoxy]methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ... 著者 Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. 登録日 2015-11-15 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
5FNK	Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination 分子名称: (~{E})-3-(2,4-dichlorophenyl)prop-2-enoic acid, ACETIC ACID, CARBONIC ANHYDRASE 2, ... 著者 Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. 登録日 2015-11-15 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.59 Å) 主引用文献 Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
5FNH	Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination 分子名称: 5-[(3-chloranylphenoxy)methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ... 著者 Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. 登録日 2015-11-15 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.66 Å) 主引用文献 Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
6Q9T	Protein-aromatic foldamer complex crystal structure 分子名称: 2-(8-azanyl-2-methanoyl-quinolin-4-yl)ethanoic acid, 6-(aminomethyl)pyridine-2-carboxylic acid, 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid, ... 著者 Post, S, Langlois d'Estaintot, B, Fischer, L, Granier, T, Huc, I. 登録日 2018-12-18 公開日 2019-09-18 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.68 Å) 主引用文献 Structure Elucidation of Helical Aromatic Foldamer-Protein Complexes with Large Contact Surface Areas. Chemistry, 25, 2019
6QEB	Assessment of a large enzyme-drug complex by proton-detected solid-state NMR without deuteration 分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, ZINC ION 著者 Vasa, S.K. 登録日 2019-01-07 公開日 2019-02-06 最終更新日 2024-06-19 実験手法 SOLID-STATE NMR 主引用文献 Assessment of a Large Enzyme-Drug Complex by Proton-Detected Solid-State NMR Spectroscopy without Deuteration. Angew.Chem.Int.Ed.Engl., 58, 2019
4Q7P	Crystal Structure of 1-hydroxy-3-methylpyridine-2(1H)-thione bound to hCAII 分子名称: 1-hydroxy-3-methylpyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Martin, D.P, Cohen, S.M. 登録日 2014-04-25 公開日 2015-03-11 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Exploring the influence of the protein environment on metal-binding pharmacophores. J.Med.Chem., 57, 2014
6SKV	Crystal structure of bovine carbonic anhydrase II in complex with a benzenesulfonamide-based ligand (SH2) 分子名称: COPPER (II) ION, Carbonic anhydrase 2, GLYCEROL, ... 著者 Groves, M.R, Wang, W, van Oosterwijk, N. 登録日 2019-08-16 公開日 2020-08-26 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Target diazotransfer reagents to label metalloenzymes To Be Published
6SKS	Crystal structure of bovine carbonic anhydrase II in complex with a benzenesulfonamide-based ligand (SH1) 分子名称: COPPER (II) ION, Carbonic anhydrase 2, GLYCEROL, ... 著者 Groves, M.R, Wang, W, van Oosterwijk, N. 登録日 2019-08-16 公開日 2020-08-26 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Target diazotransfer reagents to label metalloenzymes To Be Published
6SKT	Crystal structure of bovine carbonic anhydrase II in complex with a benzenesulfonamide-based ligand (SH0) 分子名称: COPPER (II) ION, Carbonic anhydrase 2, GLYCEROL, ... 著者 Groves, M.R, Wang, W, van Oosterwijk, N. 登録日 2019-08-16 公開日 2020-08-26 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Target diazotransfer reagents to label metalloenzymes To Be Published
1CNB	COMPENSATORY PLASTIC EFFECTS IN THE REDESIGN OF PROTEIN-ZINC BINDING SITES 分子名称: BETA-MERCAPTOETHANOL, CARBONIC ANHYDRASE II 著者 Ippolito, J.A, Christianson, D.W. 登録日 1994-06-13 公開日 1994-10-15 最終更新日 2017-11-29 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Structural consequences of redesigning a protein-zinc binding site. Biochemistry, 33, 1994
3OW5	Crystal structure of the Y200A mutant of gamma carbonic anhydrase from Methanosarcina thermophila 分子名称: BICARBONATE ION, Carbonic anhydrase, FE (III) ION, ... 著者 Domsic, J.F, Robbins, A.H, McKenna, R. 登録日 2010-09-17 公開日 2011-10-26 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.801 Å) 主引用文献 Crystal structure of the Y200A mutant of Methanosarcina thermophila TO BE PUBLISHED
4TWL	Crystal structure of dioscorin complexed with ascorbate 分子名称: ASCORBIC ACID, Dioscorin 5, SULFATE ION 著者 Xue, Y.L, Miyakawa, T, Nakamura, A, Tanokura, M. 登録日 2014-07-01 公開日 2015-04-01 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.11 Å) 主引用文献 Yam Tuber Storage Protein Reduces Plant Oxidants Using the Coupled Reactions as Carbonic Anhydrase and Dehydroascorbate Reductase Mol Plant, 8, 2015
4TWM	Crystal structure of dioscorin from Dioscorea japonica 分子名称: Dioscorin 5, SULFATE ION 著者 Xue, Y.L, Miyakawa, T, Nakamura, A, Tanokura, M. 登録日 2014-07-01 公開日 2015-04-01 最終更新日 2020-01-29 実験手法 X-RAY DIFFRACTION (2.11 Å) 主引用文献 Yam Tuber Storage Protein Reduces Plant Oxidants Using the Coupled Reactions as Carbonic Anhydrase and Dehydroascorbate Reductase Mol Plant, 8, 2015
5N5K	Human catalytic MMP-12 in complex with 5-(1,2-dithiolan-3-yl)-N-(3-hydroxypropyl)pentanamide 分子名称: 5-[(3~{S})-1,2-dithiolan-3-yl]-~{N}-(3-oxidanylpropyl)pentanamide, ACETOHYDROXAMIC ACID, CALCIUM ION, ... 著者 Calderone, V. 登録日 2017-02-14 公開日 2017-11-01 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Lipoyl-Homotaurine Derivative (ADM_12) Reverts Oxaliplatin-Induced Neuropathy and Reduces Cancer Cells Malignancy by Inhibiting Carbonic Anhydrase IX (CAIX). J. Med. Chem., 60, 2017
5N5J	Human MMP12 in complex with 3-(5-(1,2-dithiolan-3-yl)pentanamido)propane-1-sulfonate 分子名称: 3-[5-[(3~{S})-1,2-dithiolan-3-yl]pentanoylamino]propane-1-sulfonic acid, ACETOHYDROXAMIC ACID, CALCIUM ION, ... 著者 Calderone, V. 登録日 2017-02-14 公開日 2017-11-01 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Lipoyl-Homotaurine Derivative (ADM_12) Reverts Oxaliplatin-Induced Neuropathy and Reduces Cancer Cells Malignancy by Inhibiting Carbonic Anhydrase IX (CAIX). J. Med. Chem., 60, 2017
6X89	Vigna radiata mitochondrial complex I* 分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... 著者 Letts, J.A, Maldonado, M, Padavannil, A, Zhou, L, Guo, F. 登録日 2020-06-01 公開日 2020-09-02 実験手法 ELECTRON MICROSCOPY (3.9 Å) 主引用文献 Atomic structure of a mitochondrial complex I intermediate from vascular plants. Elife, 9, 2020

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