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

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6P4V	1.65 Angstrom ternary complex of Deoxyhypusine synthase with cofactor NAD and spermidine mimic inhibitor GC7 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-GUANIDINIUM-7-AMINOHEPTANE, Deoxyhypusine synthase, ... 著者 Klein, M.G, Ambrus-Aikelin, G. 登録日 2019-05-28 公開日 2020-04-01 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Discovery of Novel Allosteric Inhibitors of Deoxyhypusine Synthase. J.Med.Chem., 63, 2020
6OZP	Crystal structure of Mus musculus (Mm) Endonuclease V in complex with a 23mer RNA oligo containing an inosine after a 180 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*A)-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 (1.96 Å) 主引用文献 Evolution of Inosine-Specific Endonuclease V from Bacterial DNase to Eukaryotic RNase. Mol.Cell, 76, 2019
6VV6	Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB113 分子名称: 1-(4-fluorophenyl)-5-[3-(1H-indol-3-yl)propoxy]-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... 著者 Ribeiro, J.A, Dias, M.V.B, Chaves-Pacheco, S.M. 登録日 2020-02-17 公開日 2020-07-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.235 Å) 主引用文献 Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
6N0N	Crystal structure of Tdp1 catalytic domain in complex with compound XZ574 分子名称: 1,2-ETHANEDIOL, 4-methylbenzene-1,2-dicarboxylic acid, DIMETHYL SULFOXIDE, ... 著者 Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. 登録日 2018-11-07 公開日 2019-11-13 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.477 Å) 主引用文献 Crystal structure of Tdp1 catalytic domain To Be Published
6N0D	Crystal structure of Tdp1 catalytic domain in complex with compound XZ575 分子名称: 1,2-ETHANEDIOL, 4-fluorobenzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1 著者 Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. 登録日 2018-11-07 公開日 2019-11-13 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.453 Å) 主引用文献 Crystal structure of Tdp1 catalytic domain in complex with compound XZ575 To Be Published
8CVN	Cryo-EM Structure of Human 15-PGDH in Complex with Small Molecule SW209415 分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 15-hydroxyprostaglandin dehydrogenase [NAD(+)], 2-[butyl(oxidanyl)-$l^{3}-sulfanyl]-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine 著者 Huang, W, Taylor, D.J. 登録日 2022-05-18 公開日 2023-03-01 最終更新日 2024-06-12 実験手法 ELECTRON MICROSCOPY (2.4 Å) 主引用文献 Small molecule inhibitors of 15-PGDH exploit a physiologic induced-fit closing system. Nat Commun, 14, 2023
8EIX	Cobalt(II)-substituted S48A Horse Liver Alcohol Dehydrogenase in Complex with NADH and N-Cyclohexylformamide 分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase E chain, COBALT (II) ION, ... 著者 Zheng, C, Mathews, I.I, Boxer, S.G. 登録日 2022-09-15 公開日 2023-02-01 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.46 Å) 主引用文献 Enhanced active-site electric field accelerates enzyme catalysis. Nat.Chem., 15, 2023
8CI0	Maize Transketolase in complex with TPP and hydrolyzed (+)-Cornexistin 分子名称: (1~{Z},3~{R},4~{S},7~{S},8~{Z})-8-ethylidene-4,7-bis(oxidanyl)-5-oxidanylidene-3-propyl-cyclononene-1,2-dicarboxylic acid, 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, MAGNESIUM ION, ... 著者 Freigang, J. 登録日 2023-02-08 公開日 2023-03-22 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.902 Å) 主引用文献 Investigations into Simplified Analogues of the Herbicidal Natural Product (+)-Cornexistin. Chemistry, 29, 2023
4V2N	Crystallographic structure of thioredoxin from Litopenaeus vannamei: Radiation damage effect at 85 MGy, focused in disulfide bonds 分子名称: ACETATE ION, SULFATE ION, THIOREDOXIN 著者 Campos-Acevedo, A.A, Rudino-Pinera, E. 登録日 2014-10-10 公開日 2015-01-14 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Crystallographic Studies Evidencing the High Energy Tolerance to Disrupting the Interface Disulfide Bond of Thioredoxin 1 from White Leg Shrimp Litopenaeus Vannamei. Molecules, 19, 2014
6NPP	Crystal structure of Epstein-Barr Virus Nuclear Antigen-1, EBNA1, bound to fragments 分子名称: 3-(phenylethynyl)-2-(1H-pyrrol-1-yl)benzoic acid, EBNA1, Epstein-Barr nuclear antigen 1 著者 Messick, T.E. 登録日 2019-01-18 公開日 2019-03-20 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Structure-based design of small-molecule inhibitors of EBNA1 DNA binding blocks Epstein-Barr virus latent infection and tumor growth. Sci Transl Med, 11, 2019
8YIV	N17.1.2 recognition of NRAS neoantigens 分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... 著者 Wu, D.C, Mariuzza, R.A. 登録日 2024-02-29 公開日 2024-12-04 実験手法 X-RAY DIFFRACTION (2.101 Å) 主引用文献 Structural characterization and AlphaFold modeling of human T cell receptor recognition of NRAS cancer neoantigens. Sci Adv, 10, 2024
8CFF	Crystal structure of arsenite oxidase from Alcaligenes faecalis (Af Aio) bound to arsenite 分子名称: 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, ARSENITE, ... 著者 Engrola, F, Correia, M.A.S, Romao, M.J, Santos-Silva, T. 登録日 2023-02-03 公開日 2023-07-12 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 Arsenite oxidase in complex with antimonite and arsenite oxyanions: Insights into the catalytic mechanism. J.Biol.Chem., 299, 2023
6NIA	Pseudomonas fluorescens isocyanide hydratase at 100 K helical disorder model 分子名称: 1,2-ETHANEDIOL, Isonitrile hydratase InhA 著者 Wilson, M.A, Dasgupta, M, van den Bedem, H. 登録日 2018-12-26 公開日 2019-11-20 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Mix-and-inject XFEL crystallography reveals gated conformational dynamics during enzyme catalysis. Proc.Natl.Acad.Sci.USA, 116, 2019
8VJY	Structure of Human Neurolysin in complex with Neurotensin peptide 分子名称: 1,2-ETHANEDIOL, Neurolysin, mitochondrial, ... 著者 Shi, K, Aihara, H. 登録日 2024-01-08 公開日 2024-08-21 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structural basis of divergent substrate recognition and inhibition of human neurolysin. Sci Rep, 14, 2024
6NW9	CRYSTAL STRUCTURE OF A TAILSPIKE PROTEIN 3 (TSP3, ORF212) FROM ESCHERICHIA COLI O157:H7 BACTERIOPHAGE CBA120 分子名称: 1,2-ETHANEDIOL, CARBONATE ION, CHLORIDE ION, ... 著者 Greenfield, J.Y, Herzberg, O. 登録日 2019-02-06 公開日 2019-06-05 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Structure and tailspike glycosidase machinery of ORF212 from E. coli O157:H7 phage CBA120 (TSP3). Sci Rep, 9, 2019
6NXZ	Crystal structure of trimethoprim-resistant type II dihydrofolate reductase in complex with a bisbenzimidazole inhibitor 分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-[4-[(2~{R})-4-[4-(6-carboxy-1~{H}-benzimidazol-2-yl)phenoxy]-2-oxidanyl-butoxy]phenyl]-1~{H}-benzimidazole-5-carboxylic acid, Dihydrofolate reductase type 2, ... 著者 Yachnin, B.J, Berghuis, A.M. 登録日 2019-02-10 公開日 2019-05-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structure-Based Design of Dimeric Bisbenzimidazole Inhibitors to an Emergent Trimethoprim-Resistant Type II Dihydrofolate Reductase Guides the Design of Monomeric Analogues. Acs Omega, 4, 2019
8RBV	SARS-CoV-2 Spike-derived peptide S976-984 S982A mutant (VLNDILARL) presented by HLA-A*02:01 分子名称: 1,2-ETHANEDIOL, ACETATE ION, Beta-2-microglobulin, ... 著者 Ahn, Y.M, Maddumage, J.C, Szeto, C, Gras, S. 登録日 2023-12-05 公開日 2024-05-15 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 The impact of SARS-CoV-2 spike mutation on peptide presentation is HLA allomorph-specific. Curr Res Struct Biol, 7, 2024
4WQM	Structure of the toluene 4-monooxygenase NADH oxidoreductase T4moF, K270S K271S variant 分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... 著者 Acheson, J.F, Fox, B.G. 登録日 2014-10-22 公開日 2015-09-09 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 Structure of T4moF, the Toluene 4-Monooxygenase Ferredoxin Oxidoreductase. Biochemistry, 54, 2015
6W5K	1.95 A resolution structure of Norovirus 3CL protease in complex with inhibitor 5g 分子名称: 3C-LIKE PROTEASE, N~2~-{[2-(3-chlorophenyl)-2-methylpropoxy]carbonyl}-N-{(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-L-leucinamide 著者 Lovell, S, Kashipathy, M.M, Battaile, K.P, Rathnayake, A.D, Kim, Y, Chang, K.O, Groutas, W.C. 登録日 2020-03-13 公開日 2020-09-30 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structure-Guided Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease. J.Med.Chem., 63, 2020
8DT7	X-ray structure of human acetylcholinesterase in complex with oxime MMB4 (hAChE-MMB4) 分子名称: 1,1'-methylenebis{4-[(E)-(hydroxyimino)methyl]pyridin-1-ium}, Acetylcholinesterase, GLYCEROL, ... 著者 Kovalevsky, A.Y, Gerlits, O, Radic, Z. 登録日 2022-07-25 公開日 2022-11-02 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.207 Å) 主引用文献 Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering. Structure, 30, 2022
6OX0	SETD3 in Complex with an Actin Peptide with Sinefungin Replacing SAH as Cofactor 分子名称: 1,2-ETHANEDIOL, Actin Peptide, Histone-lysine N-methyltransferase setd3, ... 著者 Horton, J.R, Dai, S, Cheng, X. 登録日 2019-05-13 公開日 2019-08-21 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.755 Å) 主引用文献 Structural basis for the target specificity of actin histidine methyltransferase SETD3. Nat Commun, 10, 2019
6OTJ	Crystal Structure of Tyrosyl-tRNA synthetase from Neisseria gonorrhoeae with bound L-Tyr 分子名称: 1,2-ETHANEDIOL, SULFATE ION, TYROSINE, ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2019-05-03 公開日 2019-05-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 Crystal Structure of Tyrosyl-tRNA synthetase from Neisseria gonorrhoeae with bound L-Tyr to be published
6OMK	Crystal structure of a glycylpeptide N-tetradecanoyltransferase (N-myristoyl transferase, NMT) from Leishmania major Friedlin bound to tetradecanoyl-CoA 分子名称: 1,2-ETHANEDIOL, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA, ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2019-04-18 公開日 2019-05-01 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal structure of a glycylpeptide N-tetradecanoyltransferase (N-myristoyl transferase, NMT) from Leishmania major Friedlin bound to tetradecanoyl-CoA To Be Published
6OAK	Structure of human PARG complexed with JA2131 分子名称: (8S)-1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,7,8,9-hexahydro-2H-purin-2-one, Poly(ADP-ribose) glycohydrolase 著者 Brosey, C.A, Ahmed, Z, Warden, S, Tainer, J.A. 登録日 2019-03-16 公開日 2020-03-18 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death. Nat Commun, 10, 2019
4XDY	Structure of NADH-preferring ketol-acid reductoisomerase from an uncultured archean 分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, Ketol-acid reductoisomerase, ... 著者 Cahn, J.K.B, Brinkmann-Chen, S, Arnold, F.H. 登録日 2014-12-20 公開日 2015-04-22 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.535 Å) 主引用文献 Cofactor specificity motifs and the induced fit mechanism in class I ketol-acid reductoisomerases. Biochem.J., 468, 2015

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