3NXF
 
 | | Robust computational design, optimization, and structural characterization of retroaldol enzymes | | 分子名称: | Retro-Aldolase, SULFATE ION | | 著者 | Althoff, E.A, Jiang, L, Wang, L, Lassila, J.K, Moody, J, Bolduc, J, Wang, Z.Z, Smith, M, Hari, S, Herschlag, D, Stoddard, B.L, Baker, D. | | 登録日 | 2010-07-13 | | 公開日 | 2011-06-29 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design.
J.Mol.Biol., 415, 2012
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8C67
 | | Crystal structure of Ab25 Fab | | 分子名称: | antibody 25 heavy chain, antibody 25 light chain | | 著者 | Nyblom, M, Izadi, A, Tang, D, Bahnan, W, Happonen, L, Malmstroem, J, Shannon, O, Malmstroem, L, Nordenfelt, P. | | 登録日 | 2023-01-11 | | 公開日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Engineering of IgG1 hinge to the flexible IgG3 hinge enhances immune defense against streptococci
To Be Published
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8BYR
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5U4K
 | | NMR structure of the complex between the KIX domain of CBP and the transactivation domain 1 of p65 | | 分子名称: | CREB-binding protein, Transcription factor p65 | | 著者 | Lecoq, L, Raiola, L, Chabot, P.R, Cyr, N, Arseneault, G, Omichinski, J.G. | | 登録日 | 2016-12-05 | | 公開日 | 2017-03-08 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural characterization of interactions between transactivation domain 1 of the p65 subunit of NF-kappa B and transcription regulatory factors.
Nucleic Acids Res., 45, 2017
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6ESM
 | | Crystal structure of MMP9 in complex with inhibitor BE4. | | 分子名称: | (2~{S})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]pentanedioic acid, CALCIUM ION, Matrix metalloproteinase-9,Matrix metalloproteinase-9, ... | | 著者 | Ciccone, L, Tepshi, L, Nuti, E, Rossello, A, Stura, E.A. | | 登録日 | 2017-10-23 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.104 Å) | | 主引用文献 | Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies.
J. Med. Chem., 61, 2018
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2YHO
 | | The IDOL-UBE2D complex mediates sterol-dependent degradation of the LDL receptor | | 分子名称: | ACETATE ION, E3 UBIQUITIN-PROTEIN LIGASE MYLIP, UBIQUITIN-CONJUGATING ENZYME E2 D1, ... | | 著者 | Fairall, L, Goult, B.T, Millard, C.J, Tontonoz, P, Schwabe, J.W.R. | | 登録日 | 2011-05-04 | | 公開日 | 2011-06-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The Idol-Ube2D Complex Mediates Sterol-Dependent Degradation of the Ldl Receptor.
Genes Dev., 25, 2011
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5JHH
 | | Crystal structure of the ternary complex between the human RhoA, its inhibitor and the DH/PH domain of human ARHGEF11 | | 分子名称: | 3-{3-[ethyl(quinolin-2-yl)amino]phenyl}propanoic acid, GLYCEROL, Rho guanine nucleotide exchange factor 11, ... | | 著者 | Lv, Z, Wang, R, Ma, L, Miao, Q, Wu, J, Yan, Z, Li, J, Miao, L, Wang, F. | | 登録日 | 2016-04-21 | | 公開日 | 2017-04-26 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystallization and preliminary X-ray crystallographic analysis of a small GTPase RhoA bound with its inhibitor and PDZRhoGEF
To Be Published
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6JFI
 | | The symmetric-reconstructed cryo-EM structure of Zika virus-FabZK2B10 complex | | 分子名称: | FabZK2B10 heavy chain, FabZK2B10 light chain, ZIKV structural protein E, ... | | 著者 | Wang, L, Wang, R.K, Wang, L, Ben, H.J, Yu, L, Gao, F, Shi, X.L, Yin, C.B, Zhang, F.C, Xiang, Y, Zhang, L.Q. | | 登録日 | 2019-02-08 | | 公開日 | 2019-04-10 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (11 Å) | | 主引用文献 | Structural Basis for Neutralization and Protection by a Zika Virus-Specific Human Antibody.
Cell Rep, 26, 2019
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1O9W
 | | F17-aG lectin domain from Escherichia coli in complex with N-acetyl-glucosamine | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, F17A-G FIMBRIAL ADHESIN | | 著者 | Buts, L, De Genst, E, Loris, R, Oscarson, S, Lahmann, M, Messens, J, Brosens, E, Wyns, L, Bouckaert, J, De Greve, H. | | 登録日 | 2002-12-20 | | 公開日 | 2003-05-29 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | The Fimbrial Adhesin F17-G of Enterotoxigenic Escherichia Coli Has an Immunoglobulin-Like Lectin Domain that Binds N-Acetylglucosamine
Mol.Microbiol., 49, 2003
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3J9B
 | | Electron cryo-microscopy of an RNA polymerase | | 分子名称: | Polymerase, Polymerase basic protein 2, RNA (5'-R(*UP*UP*UP*UP*UP*A)-3'), ... | | 著者 | Chang, S.H, Sun, D.P, Liang, H.H, Wang, J, Li, J, Guo, L, Wang, X.L, Guan, C.C, Boruah, B.M, Yuan, L.M, Feng, F, Yang, M.R, Wojdyla, J, Wang, J.W, Wang, M.T, Wang, H.W, Liu, Y.F. | | 登録日 | 2014-12-16 | | 公開日 | 2015-02-18 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | | 主引用文献 | Cryo-EM Structure of Influenza Virus RNA Polymerase Complex at 4.3 angstrom Resolution.
Mol.Cell, 2015
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7TD5
 | | Structure of human PRC2-EZH1 containing phosphorylated SUZ12 | | 分子名称: | Histone-lysine N-methyltransferase EZH1, Polycomb protein EED, Polycomb protein SUZ12, ... | | 著者 | Gong, L, Jiao, L, Liu, X. | | 登録日 | 2021-12-30 | | 公開日 | 2022-11-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.994 Å) | | 主引用文献 | CK2-mediated phosphorylation of SUZ12 promotes PRC2 function by stabilizing enzyme active site.
Nat Commun, 13, 2022
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5J1W
 | | Crystal structure of human CLK1 in complex with pyrido[3,4-g]quinazoline derivative ZW31 (compound 14) | | 分子名称: | Dual specificity protein kinase CLK1, GLYCEROL, PHOSPHATE ION, ... | | 著者 | Chaikuad, A, Esvan, Y.J, Zeinyeh, W, Boibessot, T, Nauton, L, Thery, V, Loaec, N, Meijer, L, Giraud, F, Moreau, P, Anizon, F, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2016-03-29 | | 公開日 | 2016-05-04 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | Discovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co-crystal structure.
Eur.J.Med.Chem., 118, 2016
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5TBJ
 | | Crystal structure of mouse CARM1 in complex with inhibitor LH1452 | | 分子名称: | 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, ... | | 著者 | Cura, V, Marechal, N, Troffer-Charlier, N, Halby, L, Arimondo, P, Bonnefond, L, Cavarelli, J. | | 登録日 | 2016-09-12 | | 公開日 | 2017-09-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | Hijacking DNA methyltransferase transition state analogues to produce chemical scaffolds for PRMT inhibitors.
Philos.Trans.R.Soc.Lond.B Biol.Sci., 373, 2018
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8P0S
 | | Crystal structure HR1 domain of Rho-associated coiled-coil protein kinases (ROCK-HR1) | | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Rho-associated protein kinase 1 | | 著者 | Dubey, B.N, Dvorsky, R, Gremer, L, Vetter, I.R, Schmitt, L, Groth, G, Ahmadian, M.R. | | 登録日 | 2023-05-10 | | 公開日 | 2023-06-21 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural and functional insights into the p160 Rho-associated coiled-coil-containing protein kinase
To Be Published
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7ABU
 | | Structure of SARS-CoV-2 Main Protease bound to RS102895 | | 分子名称: | 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1~{H}-3,1-benzoxazine-4,4'-piperidine]-2-one, 3C-like proteinase, DIMETHYL SULFOXIDE, ... | | 著者 | Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Lane, T.J, Dunkel, I, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | 登録日 | 2020-09-08 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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1AMH
 | | UNCOMPLEXED RAT TRYPSIN MUTANT WITH ASP 189 REPLACED WITH SER (D189S) | | 分子名称: | ANIONIC TRYPSIN, CALCIUM ION | | 著者 | Szabo, E, Bocskei, Z.S, Naray-Szabo, G, Graf, L. | | 登録日 | 1997-06-17 | | 公開日 | 1997-12-24 | | 最終更新日 | 2023-08-02 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | The three-dimensional structure of Asp189Ser trypsin provides evidence for an inherent structural plasticity of the protease.
Eur.J.Biochem., 263, 1999
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5J1V
 | | Crystal structure of human CLK1 in complex with pyrido[3,4-g]quinazoline derivative ZW29 (compound 13) | | 分子名称: | Dual specificity protein kinase CLK1, GLYCEROL, pyrido[3,4-g]quinazoline-2,10-diamine | | 著者 | Chaikuad, A, Esvan, Y.J, Zeinyeh, W, Boibessot, T, Nauton, L, Thery, V, Loaec, N, Meijer, L, Giraud, F, Moreau, P, Anizon, F, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2016-03-29 | | 公開日 | 2016-05-04 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | | 主引用文献 | Discovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co-crystal structure.
Eur.J.Med.Chem., 118, 2016
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7OTS
 | | Crystal structure of human Monoacylglycerol Lipase ABHD6 in complex with oleic acid and octyl glucoside | | 分子名称: | GLYCEROL, Monoacylglycerol lipase ABHD6, OLEIC ACID, ... | | 著者 | Nawrotek, A, Talagas, A, Vuillard, L, Miallau, L. | | 登録日 | 2021-06-10 | | 公開日 | 2021-06-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.792 Å) | | 主引用文献 | Crystal structure of human Monoacylglycerol Lipase ABHD6 in complex with oleic acid and octyl glucoside
To Be Published
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3OF0
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6JFH
 | | The asymmetric-reconstructed cryo-EM structure of Zika virus-FabZK2B10 complex | | 分子名称: | FabZK2B10 heavy chain, FabZK2B10 light chain, ZIKV structural E protein, ... | | 著者 | Wang, L, Wang, R.K, Wang, L, Ben, H.J, Yu, L, Gao, F, Shi, X.L, Yin, C.B, Zhang, F.C, Xiang, Y, Zhang, L.Q. | | 登録日 | 2019-02-08 | | 公開日 | 2019-04-10 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (20 Å) | | 主引用文献 | Structural Basis for Neutralization and Protection by a Zika Virus-Specific Human Antibody.
Cell Rep, 26, 2019
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4WUM
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4WXM
 | | FleQ REC domain from Pseudomonas aeruginosa PAO1 | | 分子名称: | Transcriptional regulator FleQ | | 著者 | Su, T, Liu, S, Gu, L. | | 登録日 | 2014-11-14 | | 公開日 | 2015-09-23 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The REC domain mediated dimerization is critical for FleQ from Pseudomonas aeruginosa to function as a c-di-GMP receptor and flagella gene regulator
J.Struct.Biol., 192, 2015
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1SH6
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6OSO
 | | The crystal structure of the isolate tryptophan synthase alpha-chain from Salmonella enterica serovar typhimurium at 1.75 Angstrom resolution | | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, SULFATE ION, ... | | 著者 | Hilario, E, Dunn, M.F, Mueller, L, Chang, C, Fan, L. | | 登録日 | 2019-05-01 | | 公開日 | 2020-05-06 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Backbone assignments and conformational dynamics in the S. typhimurium tryptophan synthase alpha-subunit from solution-state NMR.
J.Biomol.Nmr, 74, 2020
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6OUY
 | | The crystal structure of the isolate tryptophan synthase alpha-chain from Salmonella enterica serovar typhimurium at 1.60 Angstrom resolution | | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, SULFATE ION, ... | | 著者 | Hilario, E, Dunn, M.F, Mueller, L, Chang, C, Fan, L. | | 登録日 | 2019-05-06 | | 公開日 | 2020-05-06 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Backbone assignments and conformational dynamics in the S. typhimurium tryptophan synthase alpha-subunit from solution-state NMR.
J.Biomol.Nmr, 74, 2020
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