PDB: 243083 件ウェブページステータス検索Chemie searchBIRD

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5LIW	Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor MK319 分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Fanfrlik, J, Kamlar, M, Vesely, J, Hobza, P, Podjarny, A. 登録日 2016-07-15 公開日 2016-07-27 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors. Acs Chem.Biol., 11, 2016
4UTM	XenA - Reduced - Y183F variant in complex with 8-hydroxycoumarin 分子名称: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, 8-HYDROXYCOUMARIN, SULFATE ION, ... 著者 Werther, T, Dobbek, H. 登録日 2014-07-21 公開日 2015-08-05 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.09 Å) 主引用文献 Redox-dependent substrate-cofactor interactions in the Michaelis-complex of a flavin-dependent oxidoreductase Nat Commun, 8, 2017
4UTK	XenA - reduced - Y183F variant 分子名称: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, SULFATE ION, XENOBIOTIC REDUCTASE 著者 Werther, T, Dobbek, H. 登録日 2014-07-21 公開日 2015-08-05 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.44 Å) 主引用文献 Redox-dependent substrate-cofactor interactions in the Michaelis-complex of a flavin-dependent oxidoreductase Nat Commun, 8, 2017
7KOS	1.50 Angstroms Resolution Crystal Structure of Putative Pterin Binding Protein PruR (Atu3496) from Agrobacterium fabrum str. C58 分子名称: FORMIC ACID, MALONIC ACID, Pterin Binding Protein, ... 著者 Minasov, G, Shuvalova, L, Dubrovska, I, Pshenychnyi, S, Endres, M, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2020-11-09 公開日 2021-11-17 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 1.50 Angstroms Resolution Crystal Structure of Putative Pterin Binding Protein PruR (Atu3496) from Agrobacterium fabrum str. C58. To Be Published
7KOU	1.83 Angstroms Resolution Crystal Structure of Putative Pterin Binding Protein PruR (Atu3496) from Agrobacterium fabrum str. C58 分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Pterin Binding Protein, ... 著者 Minasov, G, Shuvalova, L, Dubrovska, I, Pshenychnyi, S, Endres, M, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2020-11-10 公開日 2021-11-17 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 1.83 Angstroms Resolution Crystal Structure of Putative Pterin Binding Protein PruR (Atu3496) from Agrobacterium fabrum str. C58. To Be Published
6PAK	Insight into subtilisin E-S7 cleavage pattern based on crystal structure and hydrolysates peptide analysis 分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Subtilisin E 著者 Tang, H, Shi, K, Aihara, H. 登録日 2019-06-11 公開日 2019-10-23 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 Enhancing subtilisin thermostability through a modified normalized B-factor analysis and loop-grafting strategy. J.Biol.Chem., 294, 2019
8GFO	Room temperature X-ray structure of truncated SARS-CoV-2 main protease C145A mutant, residues 1-304, in complex with GC373 分子名称: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide 著者 Kovalevsky, A, Coates, L. 登録日 2023-03-08 公開日 2023-07-12 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Contribution of the catalytic dyad of SARS-CoV-2 main protease to binding covalent and noncovalent inhibitors. J.Biol.Chem., 299, 2023
3W8V	Crystal Structure Analysis of the synthetic GCN4 coiled coil peptide 分子名称: 1,2-ETHANEDIOL, GCN4n coiled coil peptide, PARA ACETAMIDO BENZOIC ACID 著者 Shahar, A, Zarivach, R, Ashkenasy, G. 登録日 2013-03-21 公開日 2014-02-12 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 A high-resolution structure that provides insight into coiled-coil thiodepsipeptide dynamic chemistry Angew.Chem.Int.Ed.Engl., 52, 2013
6OZR	Crystal structure of Mus musculus (Mm) Endonuclease V in complex with a 23mer RNA oligo containing an inosine after a 15 min soak in 10 mM Mg2+ 分子名称: 1,2-ETHANEDIOL, DNA/RNA (23-MER), Endonuclease V, ... 著者 Samara, N.L, Yang, W. 登録日 2019-05-15 公開日 2019-09-04 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Evolution of Inosine-Specific Endonuclease V from Bacterial DNase to Eukaryotic RNase. Mol.Cell, 76, 2019
6P09	Human DNA Ligase 1 Bound to an Adenylated, dideoxy Terminated DNA nick with 200 mM Mg2+ 分子名称: ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*C)-3'), ... 著者 Schellenberg, M.J, Williams, R.S, Tumbale, P.S, Riccio, A.A. 登録日 2019-05-16 公開日 2019-12-11 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.052 Å) 主引用文献 Two-tiered enforcement of high-fidelity DNA ligation. Nat Commun, 10, 2019
6OZM	Crystal structure of Mus musculus (Mm) Endonuclease V in complex with a 23mer RNA oligo containing an inosine after a 10 min soak in 10 mM Mn2+ 分子名称: 1,2-ETHANEDIOL, DNA/RNA (5'-R(P*CP*GP*GP*UP*AP*AP*CP*CP*C)-D(P*I)-R(P*AP*UP*AP*UP*GP*CP*AP*UP*GP*CP*AP*UP*U)-3'), Endonuclease V, ... 著者 Samara, N.L, Yang, W. 登録日 2019-05-15 公開日 2019-09-04 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Evolution of Inosine-Specific Endonuclease V from Bacterial DNase to Eukaryotic RNase. Mol.Cell, 76, 2019
4V4D	Crystal Structure of Pyrogallol-Phloroglucinol Transhydroxylase from Pelobacter acidigallici complexed with pyrogallol 分子名称: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, BENZENE-1,2,3-TRIOL, CALCIUM ION, ... 著者 Messerschmidt, A, Niessen, H, Abt, D, Einsle, O, Schink, B, Kroneck, P.M.H. 登録日 2004-06-02 公開日 2014-07-09 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crystal structure of pyrogallol-phloroglucinol transhydroxylase, an Mo enzyme capable of intermolecular hydroxyl transfer between phenols PROC.NATL.ACAD.SCI.USA, 101, 2004
6OZO	Crystal structure of Mus musculus (Mm) Endonuclease V in complex with a 23mer RNA oligo containing an inosine after a 30 min soak in 10 mM Mn2+ 分子名称: 1,2-ETHANEDIOL, DNA/RNA (5'-R(*CP*GP*GP*UP*AP*AP*CP*CP*C)-D(P*I)-R(P*AP*UP*AP*UP*GP*CP*AP*UP*GP*CP*AP*UP*U)-3'), Endonuclease V, ... 著者 Samara, N.L, Yang, W. 登録日 2019-05-15 公開日 2019-09-04 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.235 Å) 主引用文献 Evolution of Inosine-Specific Endonuclease V from Bacterial DNase to Eukaryotic RNase. Mol.Cell, 76, 2019
4UWD	HIF prolyl hydroxylase 2 (PHD2/ EGLN1) D315E VARIANT in complex with Mn(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/UN9) 分子名称: EGL NINE HOMOLOG 1, MANGANESE (II) ION, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE 著者 Chowdhury, R, Tarhonskaya, H, Schofield, C.J. 登録日 2014-08-11 公開日 2014-08-27 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.721 Å) 主引用文献 Investigating the Contribution of the Active Site Environment to the Slow Reaction of Hypoxia-Inducible Factor Prolyl Hydroxylase Domain 2 with Oxygen. Biochem.J., 463, 2014
4UTL	XenA - reduced - Y183F variant in complex with coumarin 分子名称: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, COUMARIN, SULFATE ION, ... 著者 Werther, T, Dobbek, H. 登録日 2014-07-21 公開日 2015-08-05 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.229 Å) 主引用文献 Redox-dependent substrate-cofactor interactions in the Michaelis-complex of a flavin-dependent oxidoreductase Nat Commun, 8, 2017
6PGL	Structure of Kluyveromyces marxianus Usb1 with uridine monophosphate 分子名称: 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, GLYCEROL, ... 著者 Nomura, Y, Montemayor, E.J, Butcher, S.E. 登録日 2019-06-24 公開日 2019-12-11 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.845 Å) 主引用文献 Structural basis for the evolution of cyclic phosphodiesterase activity in the U6 snRNA exoribonuclease Usb1. Nucleic Acids Res., 48, 2020
4WDW	17beta-HSD5 in complex with 3,6-dihydropyridin-1(2H)-yl(5-methyl-1H-indol-2-yl)methanone 分子名称: 3,6-dihydropyridin-1(2H)-yl(5-methyl-1H-indol-2-yl)methanone, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Amano, Y, Yamaguchi, T. 登録日 2014-09-09 公開日 2015-04-15 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Structures of complexes of type 5 17 beta-hydroxysteroid dehydrogenase with structurally diverse inhibitors: insights into the conformational changes upon inhibitor binding. Acta Crystallogr.,Sect.D, 71, 2015
7KUU	LsfA from P. aeruginosa, a 1-Cys Prx in Sulfonic acid form 分子名称: Alkyl hydroperoxide reductase C 著者 AIeixo-Silva, R.L, Domingos, R.M, Netto, L.E.S. 登録日 2020-11-25 公開日 2021-12-15 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure of LsfA, a 1-Cys Prx in sulfonic acid form To Be Published
1J96	Human 3alpha-HSD type 3 in Ternary Complex with NADP and Testosterone 分子名称: 3alpha-hydroxysteroid dehydrogenase type 3, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Nahoum, V, Labrie, F, Lin, S.-X. 登録日 2001-05-23 公開日 2002-05-23 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Structure of the human 3alpha-hydroxysteroid dehydrogenase type 3 in complex with testosterone and NADP at 1.25-A resolution. J.Biol.Chem., 276, 2001
6PF4	Crystal structure of human thymidylate synthase Delta (7-29) in complex with dUMP and 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)phenyl)acetic acid 分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase, [2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]acetic acid 著者 Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. 登録日 2019-06-21 公開日 2019-10-02 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.854 Å) 主引用文献 Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors. Eur.J.Med.Chem., 183, 2019
6OZF	Crystal structure of Thermotoga maritima (Tm) Endonuclease V (D110N) in complex with a 12mer DNA containing an inosine followed by a ribo-adenosine 分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DNA/RNA (5'-D(P*AP*AP*TP*GP*I)-R(P*A)-D(P*GP*AP*TP*GP*CP*T)-3'), ... 著者 Samara, N.L, Yang, W. 登録日 2019-05-15 公開日 2019-09-04 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Evolution of Inosine-Specific Endonuclease V from Bacterial DNase to Eukaryotic RNase. Mol.Cell, 76, 2019
6P1U	Post-catalytic nicked complex of human DNA Polymerase Mu with 1-nt gapped substrate containing template 8OG and newly incorporated CMP 分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... 著者 Kaminski, A.M, Pedersen, L.C, Bebenek, K, Chiruvella, K.K, Ramsden, D.A, Kunkel, T.A. 登録日 2019-05-20 公開日 2019-09-04 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Unexpected behavior of DNA polymerase Mu opposite template 8-oxo-7,8-dihydro-2'-guanosine. Nucleic Acids Res., 47, 2019
4WDX	17beta-HSD5 in complex with [4-(2-hydroxyethyl)piperidin-1-yl](5-methyl-1H-indol-2-yl)methanone 分子名称: Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [4-(2-hydroxyethyl)piperidin-1-yl](5-methyl-1H-indol-2-yl)methanone 著者 Amano, Y, Yamaguchi, T. 登録日 2014-09-09 公開日 2015-04-15 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 Structures of complexes of type 5 17 beta-hydroxysteroid dehydrogenase with structurally diverse inhibitors: insights into the conformational changes upon inhibitor binding. Acta Crystallogr.,Sect.D, 71, 2015
7OPN	Human Aldehyde Oxidase SNP R1231H in complex with Raloxifene 分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, Aldehyde oxidase, DIMETHYL SULFOXIDE, ... 著者 Mota, C, Coelho, C, Santos Silva, T, Romao, M.J. 登録日 2021-06-01 公開日 2021-09-01 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Interrogating the Inhibition Mechanisms of Human Aldehyde Oxidase by X-ray Crystallography and NMR Spectroscopy: The Raloxifene Case. J.Med.Chem., 64, 2021
6PM7	The structure of the triclinic crystal form of beef liver catalase at 1.85 A resolution 分子名称: Catalase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTOPORPHYRIN IX CONTAINING FE 著者 McPherson, A. 登録日 2019-07-01 公開日 2020-05-20 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 The structure of the triclinic crystal form of beef liver catalase at 1.85 A resolution to be published

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