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

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5XND	Solution structure of the major fish allergen parvalbumin Sco j 1 derived from the Pacific mackerel 分子名称: CALCIUM ION, Parvalbumin beta 著者 Kumeta, H, Nakayama, H, Ogura, K. 登録日 2017-05-22 公開日 2017-12-27 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Solution structure of the major fish allergen parvalbumin Sco j 1 derived from the Pacific mackerel Sci Rep, 7, 2017
6HQY	Crystal structure of Schistosoma mansoni HDAC8 complexed with PCI-34051 分子名称: 1-[(4-methoxyphenyl)methyl]-~{N}-oxidanyl-indole-6-carboxamide, GLYCEROL, Histone deacetylase, ... 著者 Marek, M, Shaik, T.B, Romier, C. 登録日 2018-09-25 公開日 2018-10-31 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.501 Å) 主引用文献 Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
7RWO	Crystal Structure of BPTF bromodomain in complex with 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyridazin-3(2H)-one 分子名称: 1,2-ETHANEDIOL, 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyridazin-3(2H)-one, Nucleosome-remodeling factor subunit BPTF 著者 Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. 登録日 2021-08-20 公開日 2022-08-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition. J.Med.Chem., 64, 2021
5KQ8	PANK3-AMPPN complex 分子名称: 1,2-ETHANEDIOL, AMP PHOSPHORAMIDATE, MAGNESIUM ION, ... 著者 White, S.W, Yun, M. 登録日 2016-07-05 公開日 2016-08-31 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.002 Å) 主引用文献 Allosteric Regulation of Mammalian Pantothenate Kinase. J.Biol.Chem., 291, 2016
5KPT	PANK3-AMPPNP complex 分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... 著者 White, S.W, Yun, M. 登録日 2016-07-05 公開日 2016-08-31 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.301 Å) 主引用文献 Allosteric Regulation of Mammalian Pantothenate Kinase. J.Biol.Chem., 291, 2016
6DZQ	The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid 分子名称: 1,2-ETHANEDIOL, 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid, MANGANESE (II) ION, ... 著者 Dick, B.L, Morrison, C.N, Cohen, S.M. 登録日 2018-07-05 公開日 2018-11-07 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Structure-Activity Relationships in Metal-Binding Pharmacophores for Influenza Endonuclease. J. Med. Chem., 61, 2018
6HDL	R49K variant of beta-phosphoglucomutase from Lactococcus lactis complexed with magnesium trifluoride and beta-G6P to 1.2 A. 分子名称: 1,2-ETHANEDIOL, 6-O-phosphono-beta-D-glucopyranose, Beta-phosphoglucomutase, ... 著者 Wood, H.P, Robertson, A.J, Bisson, C, Waltho, J.P. 登録日 2018-08-17 公開日 2020-08-26 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.16 Å) 主引用文献 Transition state of phospho-enzyme hydrolysis in beta-phosphoglucomutase. To Be Published
8TQ8	Crystal structure of Fab.34.5.8 in complex with MHC-I (H2-Dd) 分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, Fab.34.5.8 Heavy chain, ... 著者 Jiang, J, Boyd, L.F, Natarajan, K, Margulies, D.H. 登録日 2023-08-06 公開日 2024-03-20 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.69 Å) 主引用文献 Experimental Structures of Antibody/MHC-I Complexes Reveal Details of Epitopes Overlooked by Computational Prediction. J Immunol., 212, 2024
8SK2	X-ray structure of the NDM-4 beta-lactamase from Klebsiella pneumonia, apo form 分子名称: 1,2-ETHANEDIOL, Metallo-beta-lactamase type 2, ZINC ION 著者 Thoden, J.B, Holden, H.M. 登録日 2023-04-18 公開日 2023-08-23 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Characterization of a novel inhibitor for the New Delhi metallo-beta-lactamase-4: Implications for drug design and combating bacterial drug resistance. J.Biol.Chem., 299, 2023
8FS1	CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor 11a (YD905) 分子名称: 1,2-ETHANEDIOL, 5'-S-{2-[N'-(cyclohexylmethyl)carbamimidamido]ethyl}-N-(3-phenylpropyl)-5'-thioadenosine, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3'), ... 著者 Zhou, J, Horton, J.R, Cheng, X. 登録日 2023-01-09 公開日 2023-05-10 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.74 Å) 主引用文献 Comparative Study of Adenosine Analogs as Inhibitors of Protein Arginine Methyltransferases and a Clostridioides difficile- Specific DNA Adenine Methyltransferase. Acs Chem.Biol., 18, 2023
6E3N	The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-4-oxo-6-(o-tolyl)-1,4-dihydropyridine-2-carboxylic acid 分子名称: 3-hydroxy-6-(2-methylphenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein 著者 Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M. 登録日 2018-07-14 公開日 2019-07-17 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (3.19 Å) 主引用文献 SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease. J.Med.Chem., 62, 2019
3L91	Structure of Pseudomonas aerugionsa PvdQ bound to octanoate 分子名称: 1,2-ETHANEDIOL, Acyl-homoserine lactone acylase pvdQ subunit alpha, Acyl-homoserine lactone acylase pvdQ subunit beta, ... 著者 Drake, E.J, Gulick, A.M. 登録日 2010-01-04 公開日 2011-01-19 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.66 Å) 主引用文献 Structural characterization and high-throughput screening of inhibitors of PvdQ, an NTN hydrolase involved in pyoverdine synthesis. Acs Chem.Biol., 6, 2011
6E3O	The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 6-(2-ethylphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid 分子名称: 6-(2-ethylphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein 著者 Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M. 登録日 2018-07-14 公開日 2019-07-17 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (3.19 Å) 主引用文献 SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease. J.Med.Chem., 62, 2019
5XC1	Crystal structure of the complex of an aromatic mutant (W6A) of an alkali thermostable GH10 Xylanase from Bacillus sp. NG-27 with S-1,2-Propanediol 分子名称: Beta-xylanase, MAGNESIUM ION, S-1,2-PROPANEDIOL, ... 著者 Bansia, H, Mahanta, P, Ramakumar, S. 登録日 2017-03-21 公開日 2018-03-28 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.26 Å) 主引用文献 Small Glycols Discover Cryptic Pockets on Proteins for Fragment-Based Approaches. J.Chem.Inf.Model., 2021
6E3P	The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 6-(3-(1H-tetrazol-5-yl)phenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid 分子名称: 3-hydroxy-4-oxo-6-[3-(1H-tetrazol-5-yl)phenyl]-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein 著者 Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M. 登録日 2018-07-14 公開日 2019-07-17 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease. J.Med.Chem., 62, 2019
6RCA	X-ray structure uridine phosphorylase from Vibrio cholerae in complex with 2.2'-anhydrouridine at 1.34 A 分子名称: 1,2-ETHANEDIOL, 2,2'-Anhydro-(1-beta-D-ribofuranosyl)uracil, CHLORIDE ION, ... 著者 Prokofev, I.I, Eistrikh-Geller, P.A, Balaev, V.V, Gabdoulkhakov, A.G, Betzel, C, Lashkov, A.A. 登録日 2019-04-11 公開日 2020-05-13 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.345 Å) 主引用文献 X-Ray Structure and Molecular Dynamics Study of Uridine Phosphorylase from Vibrio cholerae in Complex with 2,2'-Anhydrouridine Crystallography Reports, 2020
5J2W	Intermediate state lying on the pathway of release of Tat from HIV-1 TAR. 分子名称: Apical region (29mer) of the HIV-1 TAR RNA element, Cyclic peptide mimetic of HIV-1 Tat 著者 Borkar, A.N, Bardaro Jr, M.F, Varani, G, Vendruscolo, M. 登録日 2016-03-30 公開日 2016-06-08 最終更新日 2024-10-16 実験手法 SOLUTION NMR 主引用文献 Structure of a low-population binding intermediate in protein-RNA recognition. Proc.Natl.Acad.Sci.USA, 113, 2016
7NNV	Crystal structure of Mycobacterium tuberculosis ArgF in complex with carbamoyl phosphate. 分子名称: 1,2-ETHANEDIOL, Ornithine carbamoyltransferase, PHOSPHATE ION, ... 著者 Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L. 登録日 2021-02-25 公開日 2021-06-30 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
6F18	Structure of Mb NMH H64V, V68A mutant complex with EDA 分子名称: ETHYL ACETATE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE 著者 Tinzl, M, Hayashi, T, Mori, T, Hilvert, D. 登録日 2017-11-21 公開日 2018-08-22 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Capture and characterization of a reactive haem-carbenoid complex in an artificial metalloenzyme Nat Catal, 1, 2018
8VKZ	Crystal structure of Glucocorticoid Receptor in complex with an inhibitor 分子名称: (4aR,4bS,5R,6aS,6bS,8R,9aR,10aR,10bR)-8-{4-[(3-aminophenyl)methyl]phenyl}-5-hydroxy-6b-(hydroxyacetyl)-4a,6a-dimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one, Glucocorticoid receptor, Nuclear receptor coactivator 2 著者 Judge, R.A, Hobson, A.D. 登録日 2024-01-10 公開日 2024-01-24 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.133 Å) 主引用文献 Minimising the payload solvent exposed hydrophobic surface area optimises the antibody-drug conjugate properties. Rsc Med Chem, 15, 2024
6RCW	Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-053 分子名称: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3-[5-[(4~{a}~{R},8~{a}~{S})-3-cycloheptyl-4-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(furan-2-ylmethyl)prop-2-ynamide, ... 著者 Singh, A.K, Brown, D.G. 登録日 2019-04-11 公開日 2019-07-24 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2). Bioorg.Med.Chem., 27, 2019
6I1A	Crystal structure of rutinosidase from Aspergillus niger 分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, rutinosidase 著者 Pachl, P, Rezacova, P, Kapesova, J. 登録日 2018-10-28 公開日 2020-01-29 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.27 Å) 主引用文献 Rutinosidase from Aspergillus niger: crystal structure and insight into the enzymatic activity. Febs J., 287, 2020
5XPF	High-resolution X-ray structure of the T26H mutant of T4 lysozyme 分子名称: CHLORIDE ION, Endolysin, GLYCEROL, ... 著者 Hiromoto, T, Kuroki, R. 登録日 2017-06-01 公開日 2017-10-04 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.04 Å) 主引用文献 Neutron structure of the T26H mutant of T4 phage lysozyme provides insight into the catalytic activity of the mutant enzyme and how it differs from that of wild type. Protein Sci., 26, 2017
5J46	Crystal structure of a Peptide Deformylase from Burkholderia multivorans 分子名称: 1,2-ETHANEDIOL, Peptide deformylase, ZINC ION 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2016-03-31 公開日 2016-04-13 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Crystal structure of a Peptide Deformylase from Burkholderia multivorans to be published
8ZNO	Cryo-EM structure of Arachis hypogaea bc1 complex 分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CARDIOLIPIN, ... 著者 Ye, Y, Dong, J.Q, Yang, G.F. 登録日 2024-05-27 公開日 2025-06-04 最終更新日 2025-07-23 実験手法 ELECTRON MICROSCOPY (3.02 Å) 主引用文献 Cryo-EM structure of Arachis hypogaea bc1 complex To be Published

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