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

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7KVS	Human CYP3A4 bound to an inhibitor 分子名称: 1,2-ETHANEDIOL, Cytochrome P450 3A4, GLYCEROL, ... 著者 Sevrioukova, I. 登録日 2020-11-28 公開日 2021-01-20 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Rational Design of CYP3A4 Inhibitors: A One-Atom Linker Elongation in Ritonavir-Like Compounds Leads to a Marked Improvement in the Binding Strength. Int J Mol Sci, 22, 2021
1X5X	Solution structure of the fibronectin type-III domain of human fibronectin type III domain containing protein 3 分子名称: Fibronectin type-III domain containing protein 3a 著者 Yoneyama, M, Tochio, N, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) 登録日 2005-05-17 公開日 2005-11-17 最終更新日 2024-05-29 実験手法 SOLUTION NMR 主引用文献 Solution structure of the fibronectin type-III domain of human fibronectin type III domain containing protein 3 To be Published
5F0M	Structure of retromer VPS26-VPS35 subunits bound to SNX3 and DMT1 (SeMet labeled) 分子名称: 1,2-ETHANEDIOL, GLYCEROL, Natural resistance-associated macrophage protein 2, ... 著者 Lucas, M, Gershlick, D, Vidaurrazaga, A, Rojas, A.L, Bonifacino, J.S, Hierro, A. 登録日 2015-11-27 公開日 2016-12-07 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Structural Mechanism for Cargo Recognition by the Retromer Complex. Cell, 167, 2016
4ICC	Crystal structure of human AKR1B10 complexed with NADP+ and JF0064 分子名称: 2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Porte, S, de Lera, A.R, Martin, M.J, de la Fuente, J.A, Klebe, G, Farres, J, Pares, X, Podjarny, A. 登録日 2012-12-10 公開日 2014-02-19 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.752 Å) 主引用文献 Identification of a novel polyfluorinated compound as a lead to inhibit the human enzymes aldose reductase and AKR1B10: structure determination of both ternary complexes and implications for drug design. Acta Crystallogr.,Sect.D, 70, 2014
7KVN	Human CYP3A4 bound to an inhibitor 分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate 著者 Sevrioukova, I. 登録日 2020-11-28 公開日 2021-01-20 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Rational Design of CYP3A4 Inhibitors: A One-Atom Linker Elongation in Ritonavir-Like Compounds Leads to a Marked Improvement in the Binding Strength. Int J Mol Sci, 22, 2021
1X3D	Solution structure of the fibronectin type-III domain of human fibronectin type-III domain containing protein 3a 分子名称: Fibronectin type-III domain containing protein 3a 著者 Yoneyama, M, Tochio, N, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) 登録日 2005-05-02 公開日 2005-11-02 最終更新日 2024-05-29 実験手法 SOLUTION NMR 主引用文献 Solution structure of the fibronectin type-III domain of human fibronectin type-III domain containing protein 3a To be Published
2DO7	Solution structure of the winged helix-turn-helix motif of human CUL-4B 分子名称: Cullin-4B 著者 Suzuki, S, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) 登録日 2006-04-27 公開日 2007-04-17 最終更新日 2024-05-29 実験手法 SOLUTION NMR 主引用文献 Solution structure of the winged helix-turn-helix motif of human CUL-4B To be Published
7KVH	Human CYP3A4 bound to an inhibitor 分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate 著者 Sevrioukova, I. 登録日 2020-11-28 公開日 2021-01-20 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.791 Å) 主引用文献 Rational Design of CYP3A4 Inhibitors: A One-Atom Linker Elongation in Ritonavir-Like Compounds Leads to a Marked Improvement in the Binding Strength. Int J Mol Sci, 22, 2021
7KP4	Crystal structure of human claudin-4 in complex with Clostridium perfringens enterotoxin C-terminal domain 分子名称: Claudin-4, Heat-labile enterotoxin B chain 著者 Vecchio, A.J, Stroud, R.M. 登録日 2020-11-10 公開日 2020-12-09 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (3.37 Å) 主引用文献 Structural basis for Clostridium perfringens enterotoxin targeting of claudins at tight junctions in mammalian gut. Proc.Natl.Acad.Sci.USA, 118, 2021
7KVM	Human CYP3A4 bound to an inhibitor 分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-2-benzyl-3-oxo-3-{[3-(pyridin-3-yl)propyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate 著者 Sevrioukova, I. 登録日 2020-11-28 公開日 2021-01-20 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Rational Design of CYP3A4 Inhibitors: A One-Atom Linker Elongation in Ritonavir-Like Compounds Leads to a Marked Improvement in the Binding Strength. Int J Mol Sci, 22, 2021
7KVK	Human CYP3A4 bound to an inhibitor 分子名称: 1,2-ETHANEDIOL, Cytochrome P450 3A4, GLYCEROL, ... 著者 Sevrioukova, I. 登録日 2020-11-28 公開日 2021-01-20 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Rational Design of CYP3A4 Inhibitors: A One-Atom Linker Elongation in Ritonavir-Like Compounds Leads to a Marked Improvement in the Binding Strength. Int J Mol Sci, 22, 2021
7KHY	Crystal structure of OXA-163 K73A in complex with meropenem 分子名称: (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ... 著者 Palzkill, T, Hu, L, Sankaran, B, Prasad, B.V.V. 登録日 2020-10-22 公開日 2021-02-10 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 Mechanistic Basis of OXA-48-like beta-Lactamases' Hydrolysis of Carbapenems. Acs Infect Dis., 7, 2021
7KH9	Crystal structure of OXA-48 K73A in complex with imipenem 分子名称: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Beta-lactamase, CHLORIDE ION 著者 Palzkill, T, Hu, L, Sankaran, B, Prasad, B.V.V. 登録日 2020-10-20 公開日 2021-02-10 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.29 Å) 主引用文献 Mechanistic Basis of OXA-48-like beta-Lactamases' Hydrolysis of Carbapenems. Acs Infect Dis., 7, 2021
7KHZ	Crystal structure of OXA-163 K73A in complex with imipenem 分子名称: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Beta-lactamase, CHLORIDE ION, ... 著者 Palzkill, T, Hu, L, Sankaran, B, Prasad, B.V.V. 登録日 2020-10-22 公開日 2021-02-10 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.04 Å) 主引用文献 Mechanistic Basis of OXA-48-like beta-Lactamases' Hydrolysis of Carbapenems. Acs Infect Dis., 7, 2021
4BOZ	Structure of OTUD2 OTU domain in complex with K11-linked di ubiquitin 分子名称: GLYCEROL, UBIQUITIN THIOESTERASE OTU1, UBIQUITIN-C 著者 Mevissen, T.E.T, Hospenthal, M.K, Geurink, P.P, Elliott, P.R, Akutsu, M, Arnaudo, N, Ekkebus, R, Kulathu, Y, Wauer, T, El Oualid, F, Freund, S.M.V, Ovaa, H, Komander, D. 登録日 2013-05-22 公開日 2013-07-17 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (3.03 Å) 主引用文献 Otu Deubiquitinases Reveal Mechanisms of Linkage Specificity and Enable Ubiquitin Chain Restriction Analysis. Cell(Cambridge,Mass.), 154, 2013
7KHQ	Crystal structure of OXA-48 K73A in complex with meropenem 分子名称: (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, CHLORIDE ION, ... 著者 Palzkill, T, Hu, L, Sankaran, B, Prasad, B.V.V. 登録日 2020-10-21 公開日 2021-02-10 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Mechanistic Basis of OXA-48-like beta-Lactamases' Hydrolysis of Carbapenems. Acs Infect Dis., 7, 2021
1WK0	Solution structure of Fibronectin type III domain derived from human KIAA0970 protein 分子名称: KIAA0970 protein 著者 Kobayashi, N, Koshiba, S, Inoue, M, Hayashi, F, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) 登録日 2004-05-29 公開日 2004-11-29 最終更新日 2024-05-29 実験手法 SOLUTION NMR 主引用文献 Solution structure of Fibronectin type III domain derived from human KIAA0970 protein To be Published
4LO0	Apo HA17-HA33 分子名称: HA-17, HA-33 著者 Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R. 登録日 2013-07-12 公開日 2013-10-30 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.055 Å) 主引用文献 Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity. Plos Pathog., 9, 2013
7KVO	Human CYP3A4 bound to an inhibitor 分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... 著者 Sevrioukova, I. 登録日 2020-11-28 公開日 2021-01-20 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Rational Design of CYP3A4 Inhibitors: A One-Atom Linker Elongation in Ritonavir-Like Compounds Leads to a Marked Improvement in the Binding Strength. Int J Mol Sci, 22, 2021
4C4G	Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1 分子名称: 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, DUAL SPECIFICITY PROTEIN KINASE TTK, ... 著者 Naud, S, Westwood, I.M, Faisal, A, Sheldrake, P, Bavetsias, V, Atrash, B, Liu, M, Hayes, A, Schmitt, J, Wood, A, Choi, V, Boxall, K, Mak, G, Gurden, M, Valenti, M, de Haven Brandon, A, Henley, A, Baker, R, McAndrew, C, Matijssen, B, Burke, R, Eccles, S.A, Raynaud, F.I, Linardopoulos, S, van Montfort, R, Blagg, J. 登録日 2013-09-05 公開日 2013-12-04 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Structure-Based Design of Orally Bioavailable 1H-Pyrrolo[3, 2-C]Pyridine Inhibitors of the Mitotic Kinase Monopolar Spindle 1 (Mps1). J.Med.Chem., 56, 2013
7KVP	Human CYP3A4 bound to an inhibitor 分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate 著者 Sevrioukova, I. 登録日 2020-11-28 公開日 2021-01-20 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Rational Design of CYP3A4 Inhibitors: A One-Atom Linker Elongation in Ritonavir-Like Compounds Leads to a Marked Improvement in the Binding Strength. Int J Mol Sci, 22, 2021
4C78	Complex of human Sirt3 with Bromo-Resveratrol and ACS2 peptide 分子名称: 5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol, ACETYL-COENZYME A SYNTHETASE 2-LIKE, MITOCHONDRIAL, ... 著者 Nguyen, G.T.T, Gertz, M, Weyand, M, Steegborn, C. 登録日 2013-09-19 公開日 2013-11-20 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal Structures of Sirt3 Complexes with 4'-Bromo-Resveratrol Reveal Binding Sites and Inhibition Mechanism. Chem.Biol., 20, 2013
2BZW	The crystal structure of BCL-XL in complex with full-length BAD 分子名称: APOPTOSIS REGULATOR BCL-X, BCL2-ANTAGONIST OF CELL DEATH 著者 Lee, K.-H, Han, W.-D, Kim, K.-J, Oh, B.-H. 登録日 2005-08-24 公開日 2007-02-13 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural and Biochemical Bases for the Inhibition of Autophagy and Apoptosis by Viral Bcl-2 of Murine Gamma-Herpesvirus 68. Plos Pathog., 4, 2008
4LO2	HA17-HA33-Lac 分子名称: HA-17, HA-33, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose 著者 Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R. 登録日 2013-07-12 公開日 2013-10-30 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.254 Å) 主引用文献 Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity. Plos Pathog., 9, 2013
1X47	Solution structure of DSRM domain in DGCR8 protein 分子名称: DGCR8 protein 著者 He, F, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Terada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) 登録日 2005-05-14 公開日 2005-11-14 最終更新日 2024-05-29 実験手法 SOLUTION NMR 主引用文献 Solution structure of DSRM domain in DGCR8 protein To be Published

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