PDB: 243531 件ウェブページステータス検索Chemie searchBIRD

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7WNL	Crystal structure of a mutant Staphylococcus equorum manganese superoxide dismutase K38R and A121Y 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AZIDE ION, BROMIDE ION, ... 著者 Retnoningrum, D.S, Yoshida, H, Artarini, A.A, Ismaya, W.T. 登録日 2022-01-18 公開日 2023-01-25 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.51 Å) 主引用文献 Introducing Intermolecular Interaction to Strengthen the Stability of MnSOD Dimer. Appl.Biochem.Biotechnol., 195, 2023
7WY2	Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 F87A Mutant Haem Domain with N-Enanthyl-L-Prolyl-L-Phenylalanine in complex with Styrene 分子名称: (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, CHLORIDE ION, ... 著者 Suzuki, K, Stanfield, J.K, Shisaka, Y, Omura, K, Kasai, C, Sugimoto, H, Shoji, O. 登録日 2022-02-15 公開日 2023-01-04 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 A Compound I Mimic Reveals the Transient Active Species of a Cytochrome P450 Enzyme: Insight into the Stereoselectivity of P450-Catalysed Oxidations. Angew.Chem.Int.Ed.Engl., 62, 2023
5ZIB	Crystal structure of human GnT-V luminal domain in apo form 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase A 著者 Nagae, M, Yamaguchi, Y. 登録日 2018-03-14 公開日 2018-08-01 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structure and mechanism of cancer-associated N-acetylglucosaminyltransferase-V. Nat Commun, 9, 2018
6TPO	Conformation of cd1 nitrite reductase NirS without bound heme d1 分子名称: (R,R)-2,3-BUTANEDIOL, HEME C, Nitrite reductase, ... 著者 Kluenemann, T, Blankenfeldt, W. 登録日 2019-12-13 公開日 2020-11-18 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.861 Å) 主引用文献 Structure of heme d 1 -free cd 1 nitrite reductase NirS. Acta Crystallogr.,Sect.F, 76, 2020
8CKL	Semaphorin-5A TSR 3-4 domains in complex with sucrose octasulfate (SOS) 分子名称: 2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose-(1-2)-1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose, Semaphorin-5A, alpha-D-mannopyranose 著者 Nagy, G.N, Duman, R, Harlos, K, El Omari, K, Wagner, A, Jones, E.Y. 登録日 2023-02-15 公開日 2024-02-28 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2.56 Å) 主引用文献 Structure and function of Semaphorin-5A glycosaminoglycan interactions. Nat Commun, 15, 2024
9CMV	Crystal structure of the KRAS-p110alpha complex in the presence of molecular glue D223 分子名称: GLYCEROL, GTPase KRas, MAGNESIUM ION, ... 著者 Czyzyk, D.J, Yan, W, Simanshu, D.K. 登録日 2024-07-15 公開日 2025-07-23 最終更新日 2025-08-06 実験手法 X-RAY DIFFRACTION (3.01 Å) 主引用文献 Molecular glues that facilitate RAS binding to PI3K alpha promote glucose uptake without insulin. Science, 389, 2025
3GYI	Cholesterol oxidase from Streptomyces sp. N485D mutant (1.0A) 分子名称: Cholesterol oxidase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION 著者 Lyubimov, A.Y, Vrielink, A. 登録日 2009-04-03 公開日 2009-12-01 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 A hydrogen-bonding network is important for oxidation and isomerization in the reaction catalyzed by cholesterol oxidase. Acta Crystallogr.,Sect.D, 65, 2009
5F5H	X-ray structure of Roquin ROQ domain in complex with Ox40 hexa-loop RNA motif 分子名称: GLYCEROL, RNA (5'-R(P*CP*CP*AP*CP*AP*CP*CP*GP*UP*UP*CP*UP*AP*GP*GP*UP*GP*CP*UP*GP*G)-3'), Roquin-1 著者 Janowski, R, Schlundt, A, Sattler, M, Niessing, D. 登録日 2015-12-04 公開日 2016-04-06 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 Roquin recognizes a non-canonical hexaloop structure in the 3'-UTR of Ox40. Nat Commun, 7, 2016
5F5Z	Crystal structure of the first bromodomain of human BRD4 in complex with MA2-014 分子名称: 1,2-ETHANEDIOL, 2-methyl-~{N}-[3-[[5-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]propane-2-sulfonamide, Bromodomain-containing protein 4 著者 Ember, S.W, Zhu, J.-Y, Schonbrunn, E. 登録日 2015-12-04 公開日 2017-04-05 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.76 Å) 主引用文献 Potent Dual BET Bromodomain-Kinase Inhibitors as Value-Added Multitargeted Chemical Probes and Cancer Therapeutics. Mol. Cancer Ther., 16, 2017
5ZQP	Tankyrase-2 in complex with compound 12 分子名称: 1'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)-2H-spiro[1-benzofuran-3,4'-piperidin]-2-one, GLYCEROL, PHOSPHATE ION, ... 著者 Niwa, H, Shirai, F, Sato, S, Yoshimoto, N, Tsumura, T, Okue, M, Shirouzu, M, Seimiya, H, Umehara, T. 登録日 2018-04-19 公開日 2019-04-03 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Discovery of Novel Spiroindoline Derivatives as Selective Tankyrase Inhibitors. J. Med. Chem., 62, 2019
7H6B	THE 2.17 A CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH methyl 4-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonylbenzoate (TOA EIYO INHIBITOR) 分子名称: Chymase, methyl 4-(5-fluoro-3-methyl-1-benzothiophene-2-sulfonamido)-3-(methanesulfonyl)benzoate 著者 Banner, D.W, Benz, J.M, Schlatter, D, Hilpert, H. 登録日 2024-04-19 公開日 2025-03-05 実験手法 X-RAY DIFFRACTION (2.17 Å) 主引用文献 Crystal structures of human Chymase and Cathepsin G To be published
5F60	Crystal structure of the first bromodomain of human BRD4 in complex with SG3-014 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DI(HYDROXYETHYL)ETHER, ... 著者 Ember, S.W, Zhu, J.-Y, Schonbrunn, E. 登録日 2015-12-04 公開日 2017-02-08 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Potent Dual BET Bromodomain-Kinase Inhibitors as Value-Added Multitargeted Chemical Probes and Cancer Therapeutics. Mol. Cancer Ther., 16, 2017
1U8F	Crystal Structure Of Human Placental Glyceraldehyde-3-Phosphate Dehydrogenase At 1.75 Resolution 分子名称: Glyceraldehyde-3-phosphate dehydrogenase, liver, NICOTINAMIDE-ADENINE-DINUCLEOTIDE 著者 Jenkins, J.L, Tanner, J.J. 登録日 2004-08-05 公開日 2005-08-16 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 High-resolution structure of human D-glyceraldehyde-3-phosphate dehydrogenase. Acta Crystallogr.,Sect.D, 62, 2006
5SD2	Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1236 (enantiomer) 分子名称: (2R)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid, 1,2-ETHANEDIOL, Dihydrofolate reductase, ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2021-12-20 公開日 2022-02-09 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1236 (enantiomer) to be published
5SD7	Crystal Structure of Dihydrofolate Reductase from Homo sapiens bound to NADP and SDDC Inhibitor SDDC-735 分子名称: (2S)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2021-12-20 公開日 2022-02-09 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal Structure of Dihydrofolate Reductase from Homo sapiens bound to NADP and SDDC Inhibitor SDDC-735 to be published
5SD1	Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1235 (enantiomer) 分子名称: (2S)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid, 1,2-ETHANEDIOL, Dihydrofolate reductase, ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2021-12-20 公開日 2022-02-09 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1235 (enantiomer) to be published
5SCX	Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1190 (racemic mixture) 分子名称: (2R)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid, 1,2-ETHANEDIOL, Dihydrofolate reductase, ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2021-12-20 公開日 2022-02-09 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1190 (racemic mixture) to be published
5FF7	Tagatose-1,6-bisphosphate aldolase from Streptococcus pyogenes in complex with DHAP and G3P 分子名称: CALCIUM ION, GLYCERALDEHYDE-3-PHOSPHATE, SN-GLYCEROL-3-PHOSPHATE, ... 著者 Low-Kam, C, Liotard, B. 登録日 2015-12-18 公開日 2017-02-15 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (2.092 Å) 主引用文献 NON-STEREOSPECIFIC SUBSTRATE CLEAVAGE BY TAGATOSE-BISPHOSPHATE CLASS I ALDOLASE To Be Published
6Q5G	The ABC transporter associated binding protein from B. animalis subsp. lactis Bl-04 without ligand. SeMet variant 分子名称: Sugar ABC transporter substrate-binding protein 著者 Fredslund, F, Lo Leggio, L. 登録日 2018-12-08 公開日 2019-06-19 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Substrate preference of an ABC importer corresponds to selective growth on beta-(1,6)-galactosides inBifidobacterium animalissubsp.lactis. J.Biol.Chem., 294, 2019
6T77	Crystal structure of Klebsiella pneumoniae FabG(NADPH-dependent) NADP-complex at 1.75 A resolution 分子名称: 3-oxoacyl-ACP reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Vella, P, Schnell, R, Lindqvist, Y, Schneider, G. 登録日 2019-10-21 公開日 2020-11-18 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens. Bioorg.Med.Chem., 30, 2021
5CKX	Non-covalent complex of DAHP synthase and chorismate mutase from Mycobacterium tuberculosis with bound transition state analog and feedback effectors tyrosine and phenylalanine 分子名称: 8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID, CHLORIDE ION, GLYCEROL, ... 著者 Munack, S, Okvist, M, Krengel, U. 登録日 2015-07-15 公開日 2016-03-16 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Remote Control by Inter-Enzyme Allostery: A Novel Paradigm for Regulation of the Shikimate Pathway. J.Mol.Biol., 428, 2016
8WGH	Cryo-EM structure of the red-shifted Fittonia albivenis PSI-LHCI 分子名称: (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... 著者 Huang, G.Q, Li, X.X, Sui, S.F, Qin, X.C. 登録日 2023-09-21 公開日 2024-07-10 最終更新日 2025-07-23 実験手法 ELECTRON MICROSCOPY (2.4 Å) 主引用文献 Structure of the red-shifted Fittonia albivenis photosystem I. Nat Commun, 15, 2024
4OXK	Multiple binding modes of inhibitor PT155 to the Mycobacterium tuberculosis enoyl-ACP reductase InhA within a tetramer 分子名称: 3,6,9,12,15-pentaoxaoctadecan-17-amine, 5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium, Enoyl-[acyl-carrier-protein] reductase [NADH], ... 著者 Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. 登録日 2014-02-05 公開日 2014-04-30 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.8429 Å) 主引用文献 A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA. Acs Chem.Biol., 9, 2014
9MVO	Crystal Structure of SARS-CoV-2 Main Protease (Mpro) in Complex with Inhibitor AVI-4692 分子名称: (3M,5P,6M)-5-(1H-1,2,3-benzotriazol-1-yl)-6-(3-chlorophenyl)-3-(isoquinolin-4-yl)-1-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione, (3M,5P,6M)-5-(1H-1,2,3-benzotriazol-1-yl)-6-(3-chlorophenyl)-3-(isoquinolin-4-yl)-1-(prop-2-yn-1-yl)pyrimidine-2,4(1H,3H)-dione, 3C-like proteinase nsp5 著者 Diallo, A, Gumpena, R, Verba, K. 登録日 2025-01-15 公開日 2025-07-23 最終更新日 2025-08-13 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 Structure-based discovery of highly bioavailable, covalent, broad-spectrum coronavirus M Pro inhibitors with potent in vivo efficacy. Sci Adv, 11, 2025
7X8E	Crystal structure of PfHPPD-Y13287 complex 分子名称: 1,5-dimethyl-3-(2-methylphenyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION 著者 Dong, J, Lin, H.-Y, Yang, G.-F. 登録日 2022-03-12 公開日 2022-06-01 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.749 Å) 主引用文献 Structural insights of 4-Hydrophenylpyruvate dioxygenase inhibition by structurally diverse small molecules Adv Agrochem, 2022

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