PDB: 17012 件ウェブページステータス検索Chemie searchBIRD

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8JJB	Crystal structure of T2R-TTL-Y61 complex 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... 著者 Yang, J. 登録日 2023-05-30 公開日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.68 Å) 主引用文献 Structure-based design and synthesis of BML284 derivatives: A novel class of colchicine-site noncovalent tubulin degradation agents. Eur.J.Med.Chem., 268, 2024
8JJC	Tubulin-Y62 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-amine, CALCIUM ION, ... 著者 Yang, J. 登録日 2023-05-30 公開日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.76 Å) 主引用文献 Structure-based design and synthesis of BML284 derivatives: A novel class of colchicine-site noncovalent tubulin degradation agents. Eur.J.Med.Chem., 268, 2024
4EA9	X-ray structure of GDP-perosamine N-acetyltransferase in complex with transition state analog at 0.9 Angstrom resolution 分子名称: CHLORIDE ION, GDP-N-acetylperosamine-coenzyme A, Perosamine N-acetyltransferase 著者 Thoden, J.B, Reinhardt, L.A, Cook, P.D, Menden, P, Cleland, W.W, Holden, H.M. 登録日 2012-03-22 公開日 2012-04-04 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (0.9 Å) 主引用文献 Catalytic Mechanism of Perosamine N-Acetyltransferase Revealed by High-Resolution X-ray Crystallographic Studies and Kinetic Analyses. Biochemistry, 51, 2012
4DQE	Crystal Structure of (G16C/L38C) HIV-1 Protease in Complex with DRV 分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETATE ION, Aspartyl protease 著者 Schiffer, C.A, Mittal, S. 登録日 2012-02-15 公開日 2012-03-07 最終更新日 2017-11-15 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease. J.Am.Chem.Soc., 134, 2012
8J0F	GK tetramer with adjacent hooks at reaction state 分子名称: ADENOSINE-5'-DIPHOSPHATE, Delta-1-pyrroline-5-carboxylate synthase B, GAMMA-GLUTAMYL PHOSPHATE, ... 著者 Zhang, T, Guo, C.J, Liu, J.L. 登録日 2023-04-10 公開日 2024-04-17 最終更新日 2024-07-10 実験手法 ELECTRON MICROSCOPY (3.3 Å) 主引用文献 Dynamic Arabidopsis P5CS filament facilitates substrate channelling. Nat.Plants, 10, 2024
4E3W	Crystal Structure Francisella tularensis histidine acid phosphatase cryoprotected with proline 分子名称: Acid phosphatase, PROLINE, SULFATE ION 著者 Tanner, J.J, Pemberton, T.A. 登録日 2012-03-10 公開日 2012-07-25 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Proline: Mother Nature's cryoprotectant applied to protein crystallography. Acta Crystallogr.,Sect.D, 68, 2012
4E3V	Crystal Structure of XYLOSE ISOMERASE FROM STREPTOMYCES RUBIGINOSUS Cryoprotected in Proline 分子名称: MAGNESIUM ION, MANGANESE (II) ION, PROLINE, ... 著者 Tanner, J.J, Pemberton, T.A. 登録日 2012-03-10 公開日 2012-07-25 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.503 Å) 主引用文献 Proline: Mother Nature's cryoprotectant applied to protein crystallography. Acta Crystallogr.,Sect.D, 68, 2012
4E3X	Crystal Structure of Mus musculus 1-pyrroline-5-carboxylate dehydrogenase cryoprotected in proline 分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE, Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial, ... 著者 Tanner, J.J, Pemberton, T.A. 登録日 2012-03-10 公開日 2012-07-25 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.24 Å) 主引用文献 Proline: Mother Nature's cryoprotectant applied to protein crystallography. Acta Crystallogr.,Sect.D, 68, 2012
4DO8	Crystal structure of the muscarinic toxin MT1 分子名称: ACETATE ION, Muscarinic toxin 1, THIOCYANATE ION 著者 Fruchart-Gaillard, C, Mournier, G, Vera, L, Servent, D, Stura, E.A. 登録日 2012-02-09 公開日 2012-06-27 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.802 Å) 主引用文献 Engineering of three-finger fold toxins creates ligands with original pharmacological profiles for muscarinic and adrenergic receptors. Plos One, 7, 2012
8K6L	Cryo-EM structure of human OATP1B1 in complex with DCF 分子名称: 2',7'-bis(chloranyl)-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Shan, Z, Yang, X, Zhang, Y. 登録日 2023-07-25 公開日 2023-09-13 最終更新日 2023-12-20 実験手法 ELECTRON MICROSCOPY (2.92 Å) 主引用文献 Cryo-EM structures of human organic anion transporting polypeptide OATP1B1. Cell Res., 33, 2023
4CJ4	Interrogating HIV integrase for compounds that bind- a SAMPL challenge 分子名称: 5-[(2S)-4-methyl-2-[(pyridin-4-ylcarbonylamino)methyl]pentyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, CHLORIDE ION, ... 著者 Peat, T.S. 登録日 2013-12-19 公開日 2014-01-08 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
4CJW	Interrogating HIV integrase for compounds that bind- a SAMPL challenge 分子名称: 6-[(5-bromo-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, ACETATE ION, INTEGRASE, ... 著者 Peat, T.S. 登録日 2013-12-23 公開日 2014-01-22 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
4CHZ	Interrogating HIV integrase for compounds that bind- a SAMPL challenge 分子名称: 1,2-ETHANEDIOL, 2-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3(2H)-one, ACETATE ION, ... 著者 Peat, T.S. 登録日 2013-12-05 公開日 2013-12-18 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
4CGD	Interrogating HIV integrase for compounds that bind- a SAMPL challenge 分子名称: 1,2-ETHANEDIOL, 2-[(2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]benzoic acid, ACETIC ACID, ... 著者 Peat, T.S. 登録日 2013-11-22 公開日 2013-12-04 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
4CHY	Interrogating HIV integrase for compounds that bind- a SAMPL challenge 分子名称: 1,2-ETHANEDIOL, 5-(1H-indol-3-ylmethyl)-1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, ... 著者 Peat, T.S. 登録日 2013-12-04 公開日 2013-12-18 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
4CIG	Interrogating HIV integrase for compounds that bind- a SAMPL challenge 分子名称: 2-methoxy-6-[[[3-[(4-methoxyphenyl)methylcarbamoyl]naphthalen-2-yl]methyl-methyl-amino]methyl]benzoic acid, ACETATE ION, INTEGRASE, ... 著者 Peat, T.S. 登録日 2013-12-07 公開日 2014-01-08 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
4CJE	Interrogating HIV integrase for compounds that bind- a SAMPL challenge 分子名称: 5-[(2S)-2-[[2-(1H-imidazol-4-yl)ethanoylamino]methyl]-4-methyl-pentyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, CHLORIDE ION, ... 著者 Peat, T.S. 登録日 2013-12-19 公開日 2014-01-08 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
4CJS	Interrogating HIV integrase for compounds that bind- a SAMPL challenge 分子名称: 6-[[[2-(cyclohexylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, ACETATE ION, CHLORIDE ION, ... 著者 Peat, T.S. 登録日 2013-12-23 公開日 2014-01-08 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
4CHO	Interrogating HIV integrase for compounds that bind- a SAMPL challenge 分子名称: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ... 著者 Peat, T.S. 登録日 2013-12-04 公開日 2013-12-11 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
4CJL	Interrogating HIV integrase for compounds that bind- a SAMPL challenge 分子名称: 5-[(2S)-2-{[(5-aminopentanoyl)amino]methyl}-4-methylpentyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, CHLORIDE ION, ... 著者 Peat, T.S. 登録日 2013-12-21 公開日 2014-01-08 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.77 Å) 主引用文献 Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
4CJV	Interrogating HIV integrase for compounds that bind- a SAMPL challenge 分子名称: 5-chloranyl-4-methyl-1,3-benzothiazol-2-amine, ACETATE ION, GLYCEROL, ... 著者 Peat, T.S. 登録日 2013-12-23 公開日 2014-01-22 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
1KWQ	HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH INHIBITOR 2000-07 分子名称: 3-NITRO-4-(2-OXO-PYRROLIDIN-1-YL)-BENZENESULFONAMIDE, Carbonic anhydrase II, MERCURY (II) ION, ... 著者 Grueneberg, S, Stubbs, M.T. 登録日 2002-01-30 公開日 2003-01-07 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Successful virtual screening for novel inhibitors of human carbonic anhydrase: strategy and experimental confirmation. J.Med.Chem., 45, 2002
1KWR	HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH INHIBITOR 0134-36 分子名称: 1-METHYL-3-OXO-1,3-DIHYDRO-BENZO[C]ISOTHIAZOLE-5-SULFONIC ACID AMIDE, Carbonic anhydrase II, ZINC ION 著者 Grueneberg, S, Stubbs, M.T. 登録日 2002-01-30 公開日 2003-01-07 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Successful virtual screening for novel inhibitors of human carbonic anhydrase: strategy and experimental confirmation. J.Med.Chem., 45, 2002
8KG3	Structure of THOUSAND-GRAIN WEIGHT 6 (TGW6) 分子名称: Os06g0623700 protein 著者 Akabane, T, Suzuki, N, Matsumura, H, Yoshizawa, T, Tsuchiya, W, Katoh, E, Hirotsu, N. 登録日 2023-08-17 公開日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 THOUSAND-GRAIN WEIGHT 6, which is an IAA-glucose hydrolase, preferentially recognizes the structure of the indole ring. Sci Rep, 14, 2024
8OI2	Crystal structure of Alb1 megabody in complex with human serum albumin 分子名称: Alb1 Megabody, Albumin 著者 De Felice, S, Zoia, G, Romanyuk, Z, Pardon, E, Steyaert, J, Angelini, A, Cendron, L. 登録日 2023-03-22 公開日 2024-04-03 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 Crystal structure of human serum albumin in complex with megabody reveals unique human and murine cross-reactive binding site. Protein Sci., 33, 2024

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