PDB: 82686 件ウェブページステータス検索Chemie searchBIRD

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1DY5	Deamidated derivative of bovine pancreatic ribonuclease 分子名称: ACETATE ION, ISOPROPYL ALCOHOL, RIBONUCLEASE A, ... 著者 Esposito, L, Vitagliano, L, Sica, F, Zagari, A, Mazzarella, L. 登録日 2000-01-27 公開日 2000-03-28 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (0.87 Å) 主引用文献 The Ultrahigh Resolution Crystal Structure of Ribonuclease A Containing an Isoaspartyl Residue: Hydration and Sterochemical Analysis. J.Mol.Biol., 297, 2000
5WBP	Structure of human Ketohexokinase complexed with hits from fragment screening 分子名称: 3-(trifluoromethyl)quinoxalin-2(1H)-one, GLYCEROL, Ketohexokinase, ... 著者 Pandit, J. 登録日 2017-06-29 公開日 2017-09-13 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.74 Å) 主引用文献 Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK). J. Med. Chem., 60, 2017
5WBR	Structure of human Ketohexokinase complexed with hits from fragment screening 分子名称: 6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, CITRIC ACID, GLYCEROL, ... 著者 Pandit, J. 登録日 2017-06-29 公開日 2017-09-13 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.58 Å) 主引用文献 Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK). J. Med. Chem., 60, 2017
4TVP	Crystal Structure of the HIV-1 BG505 SOSIP.664 Env Trimer Ectodomain, Comprising Atomic-Level Definition of Pre-Fusion gp120 and gp41, in Complex with Human Antibodies PGT122 and 35O22 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 Heavy chain, ... 著者 Pancera, M, Zhou, T, Kwong, P.D. 登録日 2014-06-27 公開日 2014-10-08 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Structure and immune recognition of trimeric pre-fusion HIV-1 Env. Nature, 514, 2014
4KCT	Pyruvate kinase (PYK) from Trypanosoma brucei soaked with Oxaloacetate 分子名称: 2,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, MAGNESIUM ION, ... 著者 Zhong, W, Morgan, H.P, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. 登録日 2013-04-24 公開日 2014-01-08 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Pyruvate kinases have an intrinsic and conserved decarboxylase activity. Biochem.J., 458, 2014
4KCV	Pyruvate kinase (PYK) from Trypanosoma brucei soaked with 2-oxoglutaric acid 分子名称: 2,6-di-O-phosphono-beta-D-fructofuranose, 2-OXOGLUTARIC ACID, GLYCEROL, ... 著者 Zhong, W, Morgan, H.P, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. 登録日 2013-04-24 公開日 2014-01-08 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.18 Å) 主引用文献 Pyruvate kinases have an intrinsic and conserved decarboxylase activity. Biochem.J., 458, 2014
6QMH	Phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis in complex with 3-(1H-indol-3-yl)propanoic acid at 1.6A resolution. 分子名称: 5-[3-(1~{H}-indol-3-yl)propoxy]-1-phenyl-pyrazole-4-carboxylic acid, Phosphopantetheine adenylyltransferase 著者 Blaszczyk, M, Blundell, T.L. 登録日 2019-02-07 公開日 2020-02-26 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.837 Å) 主引用文献 Fragment linking applied to the discovery of Mycobacterium tuberculosis phosphopantetheine adenylyltransferase inhibitors To Be Published
6QMI	Phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis in complex with 3-(1H-indol-1-yl)propanoic acid at 1.7A resolution. 分子名称: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid, Phosphopantetheine adenylyltransferase 著者 Blaszczyk, M, Blundell, T.L. 登録日 2019-02-07 公開日 2020-02-26 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.781 Å) 主引用文献 Fragment linking applied to the discovery of Mycobacterium tuberculosis phosphopantetheine adenylyltransferase inhibitors To Be Published
4KCW	Pyruvate kinase (PYK) from Trypanosoma brucei soaked with oxalate 分子名称: 2,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, MAGNESIUM ION, ... 著者 Zhong, W, Morgan, H.P, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. 登録日 2013-04-24 公開日 2014-01-08 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Pyruvate kinases have an intrinsic and conserved decarboxylase activity. Biochem.J., 458, 2014
2NNR	Crystal structure of chagasin, cysteine protease inhibitor from Trypanosoma cruzi 分子名称: CHLORIDE ION, Chagasin, GLYCEROL, ... 著者 Redzynia, I, Bujacz, G, Ljunggren, A, Jaskolski, M, Abrahamson, M. 登録日 2006-10-24 公開日 2007-07-24 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Crystal structure of the parasite protease inhibitor chagasin in complex with a host target cysteine protease J.Mol.Biol., 371, 2007
5GHX	Crystal structure of beta-lactamase PenP mutant-E166H 分子名称: 1,2-ETHANEDIOL, ACETIC ACID, Beta-lactamase 著者 Pan, X, Zhao, Y. 登録日 2016-06-21 公開日 2017-01-25 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.24 Å) 主引用文献 Crystallographic Snapshots of Class A beta-Lactamase Catalysis Reveal Structural Changes That Facilitate beta-Lactam Hydrolysis J. Biol. Chem., 292, 2017
4IFL	Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes 分子名称: Nrf2 peptide, kelch-like ECH-associated protein 1 著者 Pan, H, Lin, M, Yang, Y, Callaway, K, Baker, J, Diep, L, Yan, J, Tanaka, K, Zhu, Y.L, Konradi, A.W, Jobling, M, Tam, D, Ren, Z, Cheung, H, Bova, M, Riley, B.E, Yao, N, Artis, D.R. 登録日 2012-12-14 公開日 2013-12-18 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes Acta Crystallogr.,Sect.D
5GHY	Crystal structure of beta-lactamase PenP mutant-E166H in complex with cephaloridine as "post-acylation" intermediate 分子名称: 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase 著者 Pan, X, Zhao, Y. 登録日 2016-06-21 公開日 2017-01-25 最終更新日 2017-03-22 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystallographic Snapshots of Class A beta-Lactamase Catalysis Reveal Structural Changes That Facilitate beta-Lactam Hydrolysis J. Biol. Chem., 292, 2017
5GHZ	Crystal structure of beta-lactamase PenP mutant-E166H in complex with cephaloridine as "pre-deacylation" intermediate 分子名称: 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase 著者 Pan, X, Zhao, Y. 登録日 2016-06-21 公開日 2017-01-25 最終更新日 2017-03-22 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 Crystallographic Snapshots of Class A beta-Lactamase Catalysis Reveal Structural Changes That Facilitate beta-Lactam Hydrolysis J. Biol. Chem., 292, 2017
4KLB	Crystal Structure of Cruzain in complex with the non-covalent inhibitor Nequimed176 分子名称: 2-{[(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino}thiophene-3-carboxamide, Cruzipain 著者 Fernandes, W.B, Montanari, C.A, Mckerrow, J.H. 登録日 2013-05-07 公開日 2013-09-18 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.62 Å) 主引用文献 Non-peptidic Cruzain Inhibitors with Trypanocidal Activity Discovered by Virtual Screening and In Vitro Assay. Plos Negl Trop Dis, 7, 2013
5KWL	expanded poliovirus in complex with VHH 10E 分子名称: VHH 10E, VP1, VP2, ... 著者 Strauss, M, Schotte, L, Filman, D.J, Hogle, J.M. 登録日 2016-07-18 公開日 2016-11-02 最終更新日 2019-12-18 実験手法 ELECTRON MICROSCOPY (4.5 Å) 主引用文献 Cryo-electron Microscopy Structures of Expanded Poliovirus with VHHs Sample the Conformational Repertoire of the Expanded State. J. Virol., 91, 2017
6QMG	Phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis in complex with 5-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid at 1.8A resolution. 分子名称: INDOLYLPROPIONIC ACID, Phosphopantetheine adenylyltransferase 著者 Blaszczyk, M, Blundell, T.L. 登録日 2019-02-07 公開日 2020-02-26 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Fragment linking applied to the discovery of Mycobacterium tuberculosis phosphopantetheine adenylyltransferase inhibitors To Be Published
4IFN	Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes 分子名称: (1R,2R)-2-{[(1S)-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid, kelch-like ECH-associated protein 1 著者 Pan, H, Lin, M, Yang, Y, Callaway, K, Baker, J, Diep, L, Yan, J, Tanaka, K, Zhu, Y.L, Konradi, A.W, Jobling, M, Tam, D, Ren, Z, Cheung, H, Bova, M, Riley, B.E, Yao, N, Artis, D.R. 登録日 2012-12-14 公開日 2013-12-18 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes Acta Crystallogr.,Sect.D
4IFJ	Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes 分子名称: Kelch-like ECH-associated protein 1 著者 Pan, H, Lin, M, Yang, Y, Callaway, K, Baker, J, Diep, L, Yan, J, Tanaka, K, Zhu, Y.L, Konradi, A.W, Jobling, M, Tam, D, Ren, Z, Cheung, H, Bova, M, Riley, B.E, Yao, N, Artis, D.R. 登録日 2012-12-14 公開日 2014-08-20 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes To be Published
4JHR	An auto-inhibited conformation of LGN reveals a distinct interaction mode between GoLoco motifs and TPR motifs 分子名称: G-protein-signaling modulator 2 著者 Pan, Z, Zhu, J, Shang, Y, Wei, Z, Jia, M, Xia, C, Wen, W, Wang, W, Zhang, M. 登録日 2013-03-05 公開日 2013-06-05 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 An autoinhibited conformation of LGN reveals a distinct interaction mode between GoLoco motifs and TPR motifs Structure, 21, 2013
1EDQ	CRYSTAL STRUCTURE OF CHITINASE A FROM S. MARCESCENS AT 1.55 ANGSTROMS 分子名称: CHITINASE A 著者 Papanikolau, Y, Petratos, K. 登録日 2000-01-28 公開日 2000-02-18 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 De novo purification scheme and crystallization conditions yield high-resolution structures of chitinase A and its complex with the inhibitor allosamidin. Acta Crystallogr.,Sect.D, 59, 2003
5KU2	expanded poliovirus in complex with VHH 7A 分子名称: VHH 7A, VP1, VP2, ... 著者 Strauss, M, Schotte, L, Filman, D.J, Hogle, J.M. 登録日 2016-07-12 公開日 2016-11-02 最終更新日 2019-12-11 実験手法 ELECTRON MICROSCOPY (4.5 Å) 主引用文献 Cryo-electron Microscopy Structures of Expanded Poliovirus with VHHs Sample the Conformational Repertoire of the Expanded State. J. Virol., 91, 2017
5WBO	Structure of human Ketohexokinase complexed with hits from fragment screening 分子名称: 4,6-dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile, CITRIC ACID, GLYCEROL, ... 著者 Pandit, J. 登録日 2017-06-29 公開日 2017-09-13 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK). J. Med. Chem., 60, 2017
4MRT	Structure of the Phosphopantetheine Transferase Sfp in Complex with Coenzyme A and a Peptidyl Carrier Protein 分子名称: 4'-phosphopantetheinyl transferase sfp, COENZYME A, GLYCEROL, ... 著者 Tufar, P, Rahighi, S, Kraas, F.I, Kirchner, D.K, Loehr, F, Henrich, E, Koepke, J, Dikic, I, Guentert, P, Marahiel, M.A, Doetsch, V. 登録日 2013-09-17 公開日 2014-04-23 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal Structure of a PCP/Sfp Complex Reveals the Structural Basis for Carrier Protein Posttranslational Modification. Chem.Biol., 21, 2014
5ZDQ	Crystal structure of cyanide-insensitive alternative oxidase from Trypanosoma brucei with COLLETOCHLORIN B 分子名称: 3-chloro-5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-4,6-dihydroxy-2-methylbenzaldehyde, Alternative oxidase, mitochondrial, ... 著者 Shiba, T, Inaoka, D.K, Takahashi, G, Tsuge, C, Kido, Y, Young, L, Ueda, S, Balogun, E.O, Nara, T, Honma, T, Tanaka, A, Inoue, M, Saimoto, H, Harada, S, Moore, A.L, Kita, K. 登録日 2018-02-23 公開日 2019-02-27 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Insights into the ubiquinol/dioxygen binding and proton relay pathways of the alternative oxidase. Biochim Biophys Acta Bioenerg, 1860, 2019

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