6D6M
 
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8YU4
 | | Structure of cyclohexanone monooxygenase mutant from Acinetobacter calcoaceticus | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, Putative flavin-binding monooxygenase | | 著者 | Qiang, G, Zheng, Y.C, Feng, L, Yu, H.L. | | 登録日 | 2024-03-26 | | 公開日 | 2025-03-26 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Loop Engineering Facilitates the Nicotinamide Cofactors Utilization of BVMOs
To Be Published
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7D7V
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6N3P
 | | Crosslinked AcpP=FabZ complex from E. coli Type II FAS | | 分子名称: | 3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ, Acyl carrier protein, N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(3-{[(1Z)-pent-1-en-1-yl]sulfonyl}propyl)-beta-alaninamide | | 著者 | Smith, J.L, Dodge, G.J. | | 登録日 | 2018-11-15 | | 公開日 | 2019-03-13 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural and dynamical rationale for fatty acid unsaturation inEscherichia coli.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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4OBA
 | | Co-crystal structure of MDM2 with Inhibitor Compound 4 | | 分子名称: | E3 ubiquitin-protein ligase Mdm2, [(2R,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid | | 著者 | Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M. | | 登録日 | 2014-01-07 | | 公開日 | 2014-03-19 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.602 Å) | | 主引用文献 | Selective and Potent Morpholinone Inhibitors of the MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 57, 2014
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2BKF
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1BKB
 | | INITIATION FACTOR 5A FROM ARCHEBACTERIUM PYROBACULUM AEROPHILUM | | 分子名称: | TRANSLATION INITIATION FACTOR 5A | | 著者 | Peat, T.S, Newman, J, Waldo, G.S, Berendzen, J, Terwilliger, T.C. | | 登録日 | 1998-07-05 | | 公開日 | 1998-11-04 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structure of translation initiation factor 5A from Pyrobaculum aerophilum at 1.75 A resolution.
Structure, 6, 1998
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5W5D
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5AR4
 | | RIP2 Kinase Catalytic Domain (1 - 310) complex with SB-203580 | | 分子名称: | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, RECEPTOR-INTERACTING SERINE/THREONINE-PROTEIN KINASE 2 | | 著者 | Charnley, A.K, Convery, M.A, Lakdawala Shah, A, Jones, E, Hardwicke, P, Bridges, A, Votta, B.J, Gough, P.J, Marquis, R.W, Bertin, J, Casillas, L. | | 登録日 | 2015-09-24 | | 公開日 | 2015-10-21 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Crystal Structures of Human Rip2 Kinase Catalytic Domain Complexed with ATP-Competitive Inhibitors: Foundations for Understanding Inhibitor Selectivity.
Bioorg.Med.Chem., 23, 2015
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4Y9F
 | | Crystal structure of V30M mutated transthyretin with bromide in complex with gamma-mangostin | | 分子名称: | 1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one, BROMIDE ION, Transthyretin | | 著者 | Yokoyama, T, Mizuguchi, M. | | 登録日 | 2015-02-17 | | 公開日 | 2015-09-09 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Discovery of gamma-Mangostin as an Amyloidogenesis Inhibitor
Sci Rep, 5, 2015
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6DFW
 | | TCR 8F10 in complex with IAg7-p8G9E | | 分子名称: | 8F10 alpha chain, 8F10 beta chain, H-2 class II histocompatibility antigen, ... | | 著者 | Wang, Y, Dai, S. | | 登録日 | 2018-05-15 | | 公開日 | 2019-04-17 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | How C-terminal additions to insulin B-chain fragments create superagonists for T cells in mouse and human type 1 diabetes.
Sci Immunol, 4, 2019
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5ARF
 | | SMYD2 in complex with small molecule inhibitor compound-2 | | 分子名称: | N-LYSINE METHYLTRANSFERASE SMYD2, N-[3-(4-CHLOROPHENYL)-1-{N'-CYANO-N-[3-(DIFLUOROMETHOXY)PHENYL]CARBAMIMIDOYL}-4,5-DIHYDRO-1H- PYRAZOL-4-YL]-N-ETHYL-2-HYDROXYACETAMIDE, S-ADENOSYLMETHIONINE, ... | | 著者 | Hillig, R.C, Badock, V, Barak, N, Stellfeld, T, Eggert, E, ter Laak, A, Weiske, J, Christ, C.D, Koehr, S, Stoeckigt, D, Mowat, J, Mueller, T, Fernandez-Montalvan, A.E, Hartung, I.V, Stresemann, C, Brumby, T, Weinmann, H. | | 登録日 | 2015-09-24 | | 公開日 | 2016-04-27 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (Bay-598) for the Protein Lysine Methyltransferase Smyd2.
J.Med.Chem., 59, 2016
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6N93
 | | Methylmalonyl-CoA decarboxylase in complex with 2-nitronate-propionyl-oxa(dethia)-CoA | | 分子名称: | (2E)-2-(hydroxyimino)propanoic acid, IMIDAZOLE, Methylmalonyl-CoA decarboxylase, ... | | 著者 | Stunkard, L.M, Dixon, A.D, Huth, T.J, Lohman, J.R. | | 登録日 | 2018-11-30 | | 公開日 | 2019-04-10 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Sulfonate/Nitro Bearing Methylmalonyl-Thioester Isosteres Applied to Methylmalonyl-CoA Decarboxylase Structure-Function Studies.
J. Am. Chem. Soc., 141, 2019
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5AM6
 | | Native FGFR1 with an inhibitor | | 分子名称: | 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one, CHLORIDE ION, FIBROBLAST GROWTH FACTOR RECEPTOR 1 | | 著者 | Bunney, T.D, Wan, S, Thiyagarajan, N, Sutto, L, Williams, S.V, Ashford, P, Koss, H, Knowles, M.A, Gervasio, F.L, Coveney, P.V, Katan, M. | | 登録日 | 2015-03-10 | | 公開日 | 2015-03-18 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | The Effect of Mutations on Drug Sensitivity and Kinase Activity of Fibroblast Growth Factor Receptors: A Combined Experimental and Theoretical Study
Ebiomedicine, 2, 2015
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6UZP
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2C1X
 | | Structure and activity of a flavonoid 3-O glucosyltransferase reveals the basis for plant natural product modification | | 分子名称: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, UDP-GLUCOSE FLAVONOID 3-O GLYCOSYLTRANSFERASE, URIDINE-5'-DIPHOSPHATE | | 著者 | Offen, W, Martinez-Fleites, C, Kiat-Lim, E, Yang, M, Davis, B.G, Tarling, C.A, Ford, C.M, Bowles, D.J, Davies, G.J. | | 登録日 | 2005-09-22 | | 公開日 | 2006-01-09 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure of a Flavonoid Glucosyltransferase Reveals the Basis for Plant Natural Product Modification.
Embo J., 25, 2006
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1BX8
 | | HIRUSTASIN FROM HIRUDO MEDICINALIS AT 1.4 ANGSTROMS | | 分子名称: | HIRUSTASIN, SULFATE ION | | 著者 | Uson, I, Sheldrick, G.M, De La Fortelle, E, Bricogne, G, Di Marco, S, Priestle, J.P, Gruetter, M.G, Mittl, P.R.E. | | 登録日 | 1998-10-14 | | 公開日 | 1999-04-27 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | The 1.2 A crystal structure of hirustasin reveals the intrinsic flexibility of a family of highly disulphide-bridged inhibitors.
Structure Fold.Des., 7, 1999
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6DHQ
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4Y5P
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2C0H
 | | X-ray structure of beta-mannanase from blue mussel Mytilus edulis | | 分子名称: | MANNAN ENDO-1,4-BETA-MANNOSIDASE, SULFATE ION | | 著者 | Larsson, A.M, Anderson, L, Xu, B, Munoz, I.G, Uson, I, Janson, J.-C, Stalbrand, H, Stahlberg, J. | | 登録日 | 2005-09-02 | | 公開日 | 2006-02-22 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Three-Dimensional Crystal Structure and Enzymic Characterization of Beta-Mannanase Man5A from Blue Mussel Mytilus Edulis.
J.Mol.Biol., 357, 2006
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2BHE
 | | HUMAN CYCLIN DEPENDENT PROTEIN KINASE 2 IN COMPLEX WITH THE INHIBITOR 5-BROMO-INDIRUBINE | | 分子名称: | (2Z)-5'-BROMO-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE AMMONIATE, CELL DIVISION PROTEIN KINASE 2 | | 著者 | Schaefer, M, Jautelat, R, Brumby, T, Briem, H, Eisenbrand, G, Schwahn, S, Krueger, M, Luecking, U, Prien, O, Siemeister, G. | | 登録日 | 2005-01-10 | | 公開日 | 2005-03-09 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | From the Insoluble Dye Indirubin Towards Highly Active, Soluble Cdk2-Inhibitors
Chembiochem, 6, 2005
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6V6V
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4Y7R
 | | Crystal structure of WDR5 in complex with MYC MbIIIb peptide | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MYC MbIIIb peptide, ... | | 著者 | Sun, Q, Phan, J, Olejniczak, E.T, Thomas, L.R, Fesik, S.W, Tansey, W.P. | | 登録日 | 2015-02-16 | | 公開日 | 2015-04-15 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.898 Å) | | 主引用文献 | Interaction with WDR5 Promotes Target Gene Recognition and Tumorigenesis by MYC.
Mol.Cell, 58, 2015
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5AR3
 | | RIP2 Kinase Catalytic Domain (1 - 310) complex with AMP-PCP | | 分子名称: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, RECEPTOR-INTERACTING SERINE/THREONINE-PROTEIN KINASE 2 | | 著者 | Charnley, A.K, Convery, M.A, Lakdawala Shah, A, Jones, E, Hardwicke, P, Bridges, A, Votta, B.J, Gough, P.J, Marquis, R.W, Bertin, J, Casillas, L. | | 登録日 | 2015-09-23 | | 公開日 | 2015-10-21 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (3.23 Å) | | 主引用文献 | Crystal Structures of Human Rip2 Kinase Catalytic Domain Complexed with ATP-Competitive Inhibitors: Foundations for Understanding Inhibitor Selectivity.
Bioorg.Med.Chem., 23, 2015
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6CGY
 | | Structure of the Quorum Quenching lactonase from Alicyclobacillus acidoterrestris bound to a phosphate anion | | 分子名称: | 1,2-ETHANEDIOL, Beta-lactamase, COBALT (II) ION, ... | | 著者 | Bergonzi, C, Schwab, M, Naik, T, Daude, D, Chabriere, E, Elias, M. | | 登録日 | 2018-02-21 | | 公開日 | 2018-08-15 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structural and Biochemical Characterization of AaL, a Quorum Quenching Lactonase with Unusual Kinetic Properties.
Sci Rep, 8, 2018
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