4DL9
| Crystal structure of S-nitrosoglutathione reductase from tomato (Solanum lycopersicum) in complex with NAD+ | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Alcohol dehydrogenase class III, GLYCEROL, ... | 著者 | Kopecny, D, Tylichova, M, Briozzo, P. | 登録日 | 2012-02-06 | 公開日 | 2012-12-26 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structural and functional characterization of a plant S-nitrosoglutathione reductase from Solanum lycopersicum. Biochimie, 95, 2013
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4DL8
| Crystal structure of Trypanosoma brucei dUTPase with dUMP, planar [AlF3-OPO3] transition state analogue, Mg2+, and Na+ | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, ALUMINUM FLUORIDE, Deoxyuridine triphosphatase, ... | 著者 | Hemsworth, G.R, Gonzalez-Pacanowska, D, Wilson, K.S. | 登録日 | 2012-02-06 | 公開日 | 2013-08-07 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.698 Å) | 主引用文献 | On the catalytic mechanism of dimeric dUTPases. Biochem.J., 456, 2013
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4I02
| structure of the mutant Catabolite gene activator protein V140A | 分子名称: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Catabolite gene activator | 著者 | Pohl, E, Townsend, P.D, Rodgers, T, Burnell, D, McLeish, T.C.B, Wilson, M.R, Cann, M.J. | 登録日 | 2012-11-16 | 公開日 | 2013-10-30 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Modulation of global low-frequency motions underlies allosteric regulation: demonstration in CRP/FNR family transcription factors. Plos Biol., 11, 2013
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4IAR
| Crystal structure of the chimeric protein of 5-HT1B-BRIL in complex with ergotamine (PSI Community Target) | 分子名称: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera protein of human 5-hydroxytryptamine receptor 1B and E. Coli soluble cytochrome b562, Ergotamine | 著者 | Wang, C, Jiang, Y, Ma, J, Wu, H, Wacker, D, Katritch, V, Han, G.W, Liu, W, Huang, X, Vardy, E, McCorvy, J.D, Gao, X, Zhou, E.X, Melcher, K, Zhang, C, Bai, F, Yang, H, Yang, L, Jiang, H, Roth, B.L, Cherezov, V, Stevens, R.C, Xu, H.E, GPCR Network (GPCR) | 登録日 | 2012-12-07 | 公開日 | 2013-03-13 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural basis for molecular recognition at serotonin receptors. Science, 340, 2013
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1MO0
| Structural Genomics Of Caenorhabditis Elegans: Triose Phosphate Isomerase | 分子名称: | ACETATE ION, SULFATE ION, Triosephosphate isomerase | 著者 | Symersky, J, Li, S, Finley, J, Liu, Z.-J, Qui, H, Luan, C.H, Carson, M, Tsao, J, Johnson, D, Lin, G, Zhao, J, Thomas, W, Nagy, L.A, Sha, B, DeLucas, L.J, Wang, B.-C, Luo, M, Southeast Collaboratory for Structural Genomics (SECSG) | 登録日 | 2002-09-06 | 公開日 | 2002-09-13 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural genomics of Caenorhabditis elegans: triosephosphate isomerase Proteins, 51, 2003
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4HSG
| Crystal structure of human PRMT3 in complex with an allosteric inhibitor (PRMT3- KTD) | 分子名称: | 1-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxo-2-phenylethyl)urea, PRMT3 protein, UNKNOWN ATOM OR ION | 著者 | Dobrovetsky, E, Dong, A, Liu, F, Li, F, Tempel, W, Siarheyeva, A, Hajian, T, Smil, D, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Schapira, M, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC) | 登録日 | 2012-10-30 | 公開日 | 2012-12-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Exploiting an allosteric binding site of PRMT3 yields potent and selective inhibitors. J. Med. Chem., 56, 2013
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4DOY
| Crystal structure of Dibenzothiophene desulfurization enzyme C | 分子名称: | Dibenzothiophene desulfurization enzyme C, GLYCEROL | 著者 | Liu, S, Zhang, C, Zhu, D, Gu, L. | 登録日 | 2012-02-12 | 公開日 | 2013-02-13 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.789 Å) | 主引用文献 | Crystal structure of DszC from Rhodococcus sp. XP at 1.79 angstrom Proteins, 82, 2014
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4DPD
| WILD TYPE PLASMODIUM FALCIPARUM DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE (PfDHFR-TS), DHF COMPLEX, NADP+, dUMP | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, DIHYDROFOLIC ACID, ... | 著者 | Yuthavong, Y, Vilaivan, T, Kamchonwongpaisan, S, Charman, S.A, McLennan, D.N, White, K.L, Vivas, L, Bongard, E, Chitnumsub, P, Tarnchompoo, B, Thongphanchang, C, Taweechai, S, Vanichtanakul, J, Arwon, U, Fantauzzi, P, Yuvaniyama, J, Charman, W.N, Matthews, D. | 登録日 | 2012-02-13 | 公開日 | 2012-11-14 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Malarial dihydrofolate reductase as a paradigm for drug development against a resistance-compromised target Proc.Natl.Acad.Sci.USA, 109, 2012
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4EH2
| Human p38 MAP kinase in complex with NP-F1 and RL87 | 分子名称: | 3-phenylquinazolin-4(3H)-one, Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine | 著者 | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | 登録日 | 2012-04-02 | 公開日 | 2012-12-05 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem, 5, 2012
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4EOO
| Thr 160 phosphorylated CDK2 Q131E - human cyclin A3 complex with ATP | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Cyclin-A2, Cyclin-dependent kinase 2, ... | 著者 | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | 登録日 | 2012-04-14 | 公開日 | 2013-02-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem.Biol., 19, 2012
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4I67
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4HY3
| Crystal structure of a phosphoglycerate oxidoreductase from rhizobium etli | 分子名称: | phosphoglycerate oxidoreductase | 著者 | Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | 登録日 | 2012-11-12 | 公開日 | 2012-12-12 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Crystal structure of a phosphoglycerate oxidoreductase from rhizobium etli To be Published
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4EL9
| Structure of N-terminal kinase domain of RSK2 with afzelin | 分子名称: | 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside, Ribosomal protein S6 kinase alpha-3 | 著者 | Utepbergenov, D, Derewenda, U, Derewenda, Z.S. | 登録日 | 2012-04-10 | 公開日 | 2012-09-05 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Insights into the Inhibition of the p90 Ribosomal S6 Kinase (RSK) by the Flavonol Glycoside SL0101 from the 1.5 A Crystal Structure of the N-Terminal Domain of RSK2 with Bound Inhibitor. Biochemistry, 51, 2012
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4I2P
| Crystal structure of HIV-1 reverse transcriptase in complex with rilpivirine (TMC278) based analogue | 分子名称: | (2E)-3-[4-({6-[(4-methoxyphenyl)amino]-7H-purin-2-yl}amino)-3,5-dimethylphenyl]prop-2-enenitrile, Gag-Pol polyprotein | 著者 | Patel, D, Bauman, J.D, Das, K, Arnold, E. | 登録日 | 2012-11-22 | 公開日 | 2013-01-16 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.2964 Å) | 主引用文献 | A comparison of the ability of rilpivirine (TMC278) and selected analogues to inhibit clinically relevant HIV-1 reverse transcriptase mutants. Retrovirology, 9, 2012
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4I0B
| structure of the mutant Catabolite gene activator protein H160L | 分子名称: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Catabolite gene activator | 著者 | Pohl, E, Townsend, P.D, Rodgers, T, Burnell, D, McLeish, T.C.B, Wilson, M.R, Cann, M.J. | 登録日 | 2012-11-16 | 公開日 | 2013-10-30 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Modulation of global low-frequency motions underlies allosteric regulation: demonstration in CRP/FNR family transcription factors. Plos Biol., 11, 2013
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4I0N
| Pore forming protein | 分子名称: | 1,2-ETHANEDIOL, MAGNESIUM ION, Necrotic enteritis toxin B | 著者 | Yan, X, Porter, C.J, Hardy, S.P, Steer, D, Smith, A.I, Quinset, N, Hughes, V, Cheung, J.K, Keyburn, A.L, Kaldhusdal, M, Moore, R.J, Bannam, T.L, Whisstock, J.C, Rood, J.I. | 登録日 | 2012-11-16 | 公開日 | 2013-03-20 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural and functional analysis of the pore-forming toxin NetB from Clostridium perfringens MBio, 4, 2013
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4I11
| Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates. | 分子名称: | Beta-secretase 1, N-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-phenylalanine, ZINC ION | 著者 | Bowers, B, Xu, Y, Yuan, S, Probst, G.D, Hom, R.K, Chan, W, Konradi, A.W, Sham, H.L, Zhu, Y.L, Beroza, P, Pan, H, Brecht, E, Yao, N, Lougheed, J, Artis, D.R, Tam, D, Bova, M. | 登録日 | 2012-11-19 | 公開日 | 2013-03-06 | 最終更新日 | 2013-04-24 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates. Bioorg.Med.Chem.Lett., 23, 2013
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4E7W
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4I50
| Crystal structure of tubulin-stathmin-TTL-Epothilone A complex | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | 著者 | Prota, A.E, Bargsten, K, Zurwerra, D, Field, J.J, Diaz, J.F, Altmann, K.H, Steinmetz, M.O. | 登録日 | 2012-11-28 | 公開日 | 2013-01-23 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Molecular Mechanism of Action of Microtubule-Stabilizing Anticancer Agents. Science, 339, 2013
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4I69
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4I8G
| Bovine trypsin at 0.8 resolution | 分子名称: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | 著者 | Dauter, Z, Liebschner, D, Dauter, M, Brzuszkiewicz, A. | 登録日 | 2012-12-03 | 公開日 | 2012-12-19 | 最終更新日 | 2013-09-18 | 実験手法 | X-RAY DIFFRACTION (0.8 Å) | 主引用文献 | On the reproducibility of protein crystal structures: five atomic resolution structures of trypsin. Acta Crystallogr.,Sect.D, 69, 2013
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4I9B
| Structure of aminoaldehyde dehydrogenase 1 from Solanum lycopersium (SlAMADH1) with a thiohemiacetal intermediate | 分子名称: | (2-hydroxyethoxy)acetaldehyde, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | 著者 | Morera, S, Vigouroux, A, Kopecny, D. | 登録日 | 2012-12-05 | 公開日 | 2013-02-20 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Plant ALDH10 family: identifying critical residues for substrate specificity and trapping a thiohemiacetal intermediate. J.Biol.Chem., 288, 2013
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4I8Q
| Structure of the aminoaldehyde dehydrogenase 1 E260A mutant from Solanum lycopersicum (SlAMADH1-E260A) | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | 著者 | Morera, S, Vigouroux, A, Kopecny, D. | 登録日 | 2012-12-04 | 公開日 | 2013-02-20 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Plant ALDH10 family: identifying critical residues for substrate specificity and trapping a thiohemiacetal intermediate. J.Biol.Chem., 288, 2013
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4EWO
| Design and synthesis of potent hydroxyethylamine (hea) bace-1 inhibitors | 分子名称: | Beta-secretase 1, N-[(2S,3R)-4-{[(4S)-2-(2,2-dimethylpropyl)-6,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide | 著者 | Borkakoti, N, Lindberg, J, Derbyshire, D. | 登録日 | 2012-04-27 | 公開日 | 2012-10-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Design and synthesis of potent hydroxyethylamine (HEA) BACE-1 inhibitors carrying prime side 4,5,6,7-tetrahydrobenzazole and 4,5,6,7-tetrahydropyridinoazole templates. Bioorg.Med.Chem.Lett., 22, 2012
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4EEN
| crystal structure of HAD FAMILY HYDROLASE DR_1622 from Deinococcus radiodurans R1 (TARGET EFI-501256) with bound magnesium | 分子名称: | Beta-phosphoglucomutase-related protein, CHLORIDE ION, MAGNESIUM ION | 著者 | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Allen, K.N, Dunaway-Mariano, D, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2012-03-28 | 公開日 | 2012-04-18 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Crystal structure of HAD HYDROLASE DR_1622 Deinococcus radiodurans R1 (TARGET EFI-501256) To be Published
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