4O22
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![BU of 4o22 by Molmil](/molmil-images/mine/4o22) | Binary complex of metal-free PKAc with SP20. | 分子名称: | Phosphorylated peptide pSP20., cAMP-dependent protein kinase catalytic subunit alpha. | 著者 | Das, A, Kovalevsky, A.Y, Gerlits, O, Langan, P, Heller, W.T, Keshwani, M, Taylor, S.S. | 登録日 | 2013-12-16 | 公開日 | 2014-05-28 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer. Biochemistry, 53, 2014
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4O2D
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4NTA
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4NN1
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4J71
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![BU of 4j71 by Molmil](/molmil-images/mine/4j71) | Crystal Structure of GSK3b in complex with inhibitor 1R | 分子名称: | (2R)-2-methyl-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one, CHLORIDE ION, Glycogen synthase kinase-3 beta, ... | 著者 | Zhan, C, Wang, Y, Wach, J, Sheehan, P, Zhong, C, Harris, R, Patskovsky, Y, Bishop, J, Haggarty, S, Ramek, A, Berry, K, O'Herin, C, Koehler, A.N, Hung, A.W, Young, D.W, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | 登録日 | 2013-02-12 | 公開日 | 2013-03-20 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Fragment-based approach using diversity-oriented synthesis yields a GSK3b inhibitor To be Published
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4NRP
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4NTB
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4JPX
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4JL4
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4JWH
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![BU of 4jwh by Molmil](/molmil-images/mine/4jwh) | Crystal structure of spTrm10(Full length)-SAH complex | 分子名称: | S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine(9)-N1)-methyltransferase | 著者 | Yan, W, Shao, Z. | 登録日 | 2013-03-27 | 公開日 | 2013-10-16 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Crystal structure of tRNA m1G9 methyltransferase Trm10: insight into the catalytic mechanism and recognition of tRNA substrate. Nucleic Acids Res., 42, 2014
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4J9T
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![BU of 4j9t by Molmil](/molmil-images/mine/4j9t) | Crystal structure of a putative, de novo designed unnatural amino acid dependent metalloprotein, northeast structural genomics consortium target OR61 | 分子名称: | ARSENIC, GLYCEROL, designed unnatural amino acid dependent metalloprotein | 著者 | Forouhar, F, Lew, S, Seetharaman, J, Mills, J.H, Khare, S.D, Everett, J.K, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2013-02-17 | 公開日 | 2013-03-27 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Computational design of an unnatural amino Acid dependent metalloprotein with atomic level accuracy. J.Am.Chem.Soc., 135, 2013
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4JDQ
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4JF9
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4JJ4
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![BU of 4jj4 by Molmil](/molmil-images/mine/4jj4) | Crystal structure of a catalytic mutant of Axe2 (Axe2-D191A), an acetylxylan esterase from Geobacillus stearothermophilus | 分子名称: | Acetyl xylan esterase, CHLORIDE ION, GLYCEROL | 著者 | Lansky, S, Alalouf, O, Solomon, V, Alhassid, A, Belrahli, H, Govada, L, Chayan, N.E, Shoham, Y, Shoham, G. | 登録日 | 2013-03-07 | 公開日 | 2014-03-12 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | To be published To be Published
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4JQ0
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![BU of 4jq0 by Molmil](/molmil-images/mine/4jq0) | Voltage-gated sodium channel 1.5 C-terminal domain in complex with FGF12B and Ca2+/calmodulin | 分子名称: | CALCIUM ION, Calmodulin, Fibroblast growth factor 12, ... | 著者 | Wang, C, Chung, B.C, Yan, H, Wang, H.G, Lee, S.Y, Pitt, G.S. | 登録日 | 2013-03-19 | 公開日 | 2014-05-21 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.84 Å) | 主引用文献 | Structural analyses of Ca(2+)/CaM interaction with NaV channel C-termini reveal mechanisms of calcium-dependent regulation. Nat Commun, 5, 2014
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4CA4
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![BU of 4ca4 by Molmil](/molmil-images/mine/4ca4) | Crystal structure of FimH lectin domain with the Tyr48Ala mutation, in complex with heptyl alpha-D-mannopyrannoside | 分子名称: | FIMH, heptyl alpha-D-mannopyranoside | 著者 | Rabbani, S, Bouckaert, J, Zalewski, A, Preston, R, Eid, S, Thompson, A, Puorger, C, Glockshuber, R, Ernst, B. | 登録日 | 2013-10-06 | 公開日 | 2014-10-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | 主引用文献 | Mutation of Tyr137 of the universal Escherichia coli fimbrial adhesin FimH relaxes the tyrosine gate prior to mannose binding. IUCrJ, 4, 2017
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4BVE
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![BU of 4bve by Molmil](/molmil-images/mine/4bve) | CRYSTAL STRUCTURE OF HUMAN SIRT3 IN COMPLEX WITH THIOALKYLIMIDATE FORMED FROM THIO-ACETYL-LYSINE ACS2-PEPTIDE | 分子名称: | 1,2-ETHANEDIOL, ACETYL-COENZYME A SYNTHETASE 2-LIKE, MITOCHONDRIAL, ... | 著者 | Gertz, M, Weyand, M, Steegborn, C. | 登録日 | 2013-06-25 | 公開日 | 2013-07-17 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism Proc.Natl.Acad.Sci.USA, 110, 2013
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4CDD
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![BU of 4cdd by Molmil](/molmil-images/mine/4cdd) | Human DPP1 in complex with (2S)-N-((1S)-1-cyano-2-(4-(4-cyanophenyl) phenyl)ethyl)piperidine-2-carboxamide | 分子名称: | (2S)-N-[(2S)-1-AZANYLIDENE-3-[4-(4-CYANOPHENYL)PHENYL]PROPAN-2-YL]PIPERIDINE-2-CARBOXAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Debreczeni, J, Edman, K, Furber, M, Tiden, A, Gardiner, P, Mete, T, Ford, R, Millichip, I, Stein, L, Mather, A, Kinchin, E, Luckhurst, C, Cage, P, Sanghanee, H, Breed, J, Wissler, L. | 登録日 | 2013-10-31 | 公開日 | 2014-03-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate. J.Med.Chem., 57, 2014
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2IYS
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![BU of 2iys by Molmil](/molmil-images/mine/2iys) | Shikimate kinase from Mycobacterium tuberculosis in complex with shikimate, open LID (conf. A) | 分子名称: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, CHLORIDE ION, SHIKIMATE KINASE | 著者 | Hartmann, M.D, Bourenkov, G.P, Oberschall, A, Strizhov, N, Bartunik, H.D. | 登録日 | 2006-07-21 | 公開日 | 2006-10-11 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Mechanism of Phosphoryl Transfer Catalyzed by Shikimate Kinase from Mycobacterium Tuberculosis. J.Mol.Biol., 364, 2006
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4CDE
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![BU of 4cde by Molmil](/molmil-images/mine/4cde) | Human DPP1 in complex with 4-amino-N-((1S)-1-cyano-2-(4-(4- cyanophenyl)phenyl)ethyl)tetrahydropyran-4-carboxamide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-AZANYL-N-[(2S)-1-AZANYLIDENE-3-[4-(4-CYANOPHENYL)PHENYL]PROPAN-2-YL]OXANE-4-CARBOXAMIDE, CHLORIDE ION, ... | 著者 | Debreczeni, J, Edman, K, Furber, M, Tiden, A, Gardiner, P, Mete, T, Ford, R, Millichip, I, Stein, L, Mather, A, Kinchin, E, Luckhurst, C, Cage, P, Sanghanee, H, Breed, J, Wissler, L. | 登録日 | 2013-10-31 | 公開日 | 2014-03-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate. J.Med.Chem., 57, 2014
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4BZ8
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![BU of 4bz8 by Molmil](/molmil-images/mine/4bz8) | Crystal structure of Schistosoma mansoni HDAC8 complexed with J1038 | 分子名称: | (2R)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbohydroxamic acid, HISTONE DEACETYLASE 8, POTASSIUM ION, ... | 著者 | Marek, M, Romier, C. | 登録日 | 2013-07-24 | 公開日 | 2013-08-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Structural Basis for the Inhibition of Histone Deacetylase 8 (Hdac8), a Key Epigenetic Player in the Blood Fluke Schistosoma Mansoni. Plos Pathog., 9, 2013
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4C13
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![BU of 4c13 by Molmil](/molmil-images/mine/4c13) | x-ray crystal structure of Staphylococcus aureus MurE with UDP-MurNAc- Ala-Glu-Lys | 分子名称: | CHLORIDE ION, MAGNESIUM ION, PHOSPHATE ION, ... | 著者 | Ruane, K.M, Roper, D.I, Fulop, V, Barreteau, H, Boniface, A, Dementin, S, Blanot, D, Mengin-Lecreulx, D, Gobec, S, Dessen, A, Dowson, C.G, Lloyd, A.J. | 登録日 | 2013-08-09 | 公開日 | 2013-10-02 | 最終更新日 | 2021-03-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of a first-in-class CDK2 selective degrader for AML differentiation therapy. Nat.Chem.Biol., 2021
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2J5I
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![BU of 2j5i by Molmil](/molmil-images/mine/2j5i) | Crystal Structure of Hydroxycinnamoyl-CoA Hydratase-Lyase | 分子名称: | P-HYDROXYCINNAMOYL COA HYDRATASE/LYASE | 著者 | Leonard, P.M, Brzozowski, A.M, Lebedev, A, Marshall, C.M, Smith, D.J, Verma, C.S, Walton, N.J, Grogan, G. | 登録日 | 2006-09-18 | 公開日 | 2006-12-06 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | The 1.8 A Resolution Structure of Hydroxycinnamoyl- Coenzyme a Hydratase-Lyase (Hchl) from Pseudomonas Fluorescens, an Enzyme that Catalyses the Transformation of Feruloyl-Coenzyme a to Vanillin. Acta Crystallogr.,Sect.D, 62, 2006
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4BM2
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![BU of 4bm2 by Molmil](/molmil-images/mine/4bm2) | CRYSTAL STRUCTURE OF MANGANESE PEROXIDASE 4 FROM PLEUROTUS OSTREATUS - CRYSTAL FORM II | 分子名称: | CALCIUM ION, MANGANESE PEROXIDASE 4, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Medrano, F.J, Romero, A. | 登録日 | 2013-05-05 | 公開日 | 2014-01-15 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.391 Å) | 主引用文献 | Ligninolytic Peroxidase Genes in the Oyster Mushroom Genome: Heterologous Expression, Molecular Structure, Catalytic and Stability Properties, and Lignin-Degrading Ability. Biotechnol.Biofuels, 7, 2014
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4BNH
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![BU of 4bnh by Molmil](/molmil-images/mine/4bnh) | Crystal structure of S. aureus FabI in complex with NADP and 5-hexyl- 2-phenoxyphenol | 分子名称: | 5-hexyl-2-phenoxyphenol, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ... | 著者 | Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C. | 登録日 | 2013-05-15 | 公開日 | 2013-06-05 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex. Biochemistry, 52, 2013
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