2V4M
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![BU of 2v4m by Molmil](/molmil-images/mine/2v4m) | The isomerase domain of human glutamine-fructose-6-phosphate transaminase 1 (GFPT1) in complex with fructose 6-phosphate | 分子名称: | CHLORIDE ION, FRUCTOSE -6-PHOSPHATE, GLUCOSAMINE--FRUCTOSE-6-PHOSPHATE AMINOTRANSFERASE [ISOMERIZING] 1 | 著者 | Moche, M, Lehtio, L, Andersson, J, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Svensson, S, Schueler, H, Thorsell, A.G, Tresaugues, L, Uppenberg, J, Van Den Berg, S, Welin, M, Wisniewska, M, Weigelt, J, Nordlund, P, Wikstrom, M. | 登録日 | 2008-09-26 | 公開日 | 2008-10-07 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | The Isomerase Domain of Human Gfpt1 in Complex with Fructose 6-Phosphate To be Published
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2UZ9
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![BU of 2uz9 by Molmil](/molmil-images/mine/2uz9) | Human guanine deaminase (guaD) in complex with zinc and its product Xanthine. | 分子名称: | GUANINE DEAMINASE, XANTHINE, ZINC ION | 著者 | Moche, M, Welin, M, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, van den berg, S, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC) | 登録日 | 2007-04-26 | 公開日 | 2007-05-08 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Human Guanine Deaminase (Guad) in Complex with Zinc and its Product Xhantine To be Published
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1GOK
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8OWZ
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![BU of 8owz by Molmil](/molmil-images/mine/8owz) | Crystal structure of human Sirt2 in complex with a triazole-based SirReal | 分子名称: | (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[[3-[[1-(2-methoxyethyl)-1,2,3-triazol-4-yl]methoxy]phenyl]methyl]-1,3-thiazol-2-yl]ethanamide, ... | 著者 | Friedrich, F, Zhang, L, Schiedel, M, Einsle, O, Jung, M. | 登録日 | 2023-04-28 | 公開日 | 2023-11-15 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Development of First-in-Class Dual Sirt2/HDAC6 Inhibitors as Molecular Tools for Dual Inhibition of Tubulin Deacetylation. J.Med.Chem., 66, 2023
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1GOQ
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1GOO
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![BU of 1goo by Molmil](/molmil-images/mine/1goo) | Thermostable xylanase I from Thermoascus aurantiacus - Cryocooled glycerol complex | 分子名称: | ENDO-1,4-BETA-XYLANASE, GLYCEROL | 著者 | Eckert, K, Andrei, C, Larsen, S, Lo Leggio, L. | 登録日 | 2001-10-22 | 公開日 | 2001-12-03 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Substrate Specificity and Subsite Mobility in T. Aurantiacus Xylanase 10A FEBS Lett., 509, 2001
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2H8F
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![BU of 2h8f by Molmil](/molmil-images/mine/2h8f) | Crystal structure of deoxy hemoglobin from Trematomus bernacchii at pH 6.2 | 分子名称: | Hemoglobin alpha subunit, Hemoglobin beta subunit, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Mazzarella, L, Vergara, A, Vitagliano, L, Merlino, A, Bonomi, G, Scala, S, Verde, C, di Prisco, G. | 登録日 | 2006-06-07 | 公開日 | 2006-08-29 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | High resolution crystal structure of deoxy hemoglobin from Trematomus bernacchii at different pH values: The role of histidine residues in modulating the strength of the root effect. Proteins, 65, 2006
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1JBI
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![BU of 1jbi by Molmil](/molmil-images/mine/1jbi) | NMR structure of the LCCL domain | 分子名称: | cochlin | 著者 | Liepinsh, E, Trexler, M, Kaikkonen, A, Weigelt, J, Banyai, L, Patthy, L, Otting, G. | 登録日 | 2001-06-05 | 公開日 | 2001-10-17 | 最終更新日 | 2022-02-23 | 実験手法 | SOLUTION NMR | 主引用文献 | NMR structure of the LCCL domain and implications for DFNA9 deafness disorder. EMBO J., 20, 2001
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4JBY
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![BU of 4jby by Molmil](/molmil-images/mine/4jby) | Crystal structure of thymidine kinase from Herpes simplex virus type 1 in complex with F-SK78 | 分子名称: | 1,2-ETHANEDIOL, 6-[(1Z)-3-fluoro-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione, SULFATE ION, ... | 著者 | Pernot, L, Novakovic, I, Westermaier, Y, Perozzo, R, Raic-Malic, S, Scapozza, L. | 登録日 | 2013-02-20 | 公開日 | 2013-03-06 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | New thymine derivatives as HSV1-TK ligand for the development of PET imaging tracer To be Published
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4WXM
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![BU of 4wxm by Molmil](/molmil-images/mine/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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1YBY
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![BU of 1yby by Molmil](/molmil-images/mine/1yby) | Conserved hypothetical protein Cth-95 from Clostridium thermocellum | 分子名称: | Translation elongation factor P, UNKNOWN ATOM OR ION | 著者 | Zhao, M, Zhou, W, Chang, J, Habel, J, Kataeva, I, Xu, H, Chen, L, Lee, D, Nguyen, J, Chang, S.-H, Horanyi, P, Florence, Q, Tempel, W, Lin, D, Zhang, H, Ljundahl, L, Liu, Z.-J, Rose, J, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | 登録日 | 2004-12-21 | 公開日 | 2005-02-01 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Conserved hypothetical protein Cth-95 from Clostridium thermocellum To be published
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1YGK
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![BU of 1ygk by Molmil](/molmil-images/mine/1ygk) | Crystal Structure of Pyridoxal Kinase in Complex with Roscovitine and Derivatives | 分子名称: | Pyridoxal kinase, R-ROSCOVITINE | 著者 | Tang, L, Li, M.-H, Cao, P, Wang, F, Chang, W.-R, Bach, S, Reinhardt, J, Ferandin, Y, Koken, M, Galons, H, Wan, Y, Gray, N, Meijer, L, Jiang, T, Liang, D.-C. | 登録日 | 2005-01-05 | 公開日 | 2005-07-05 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal structure of pyridoxal kinase in complex with roscovitine and derivatives J.Biol.Chem., 280, 2005
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5ZAT
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4YS7
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![BU of 4ys7 by Molmil](/molmil-images/mine/4ys7) | Co-crystal structure of 2-[2-(5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-3H-imidazo[4,5-f]quinoline (compound 39) with PDE10A | 分子名称: | 2-[2-(5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-3H-imidazo[4,5-f]quinoline, MAGNESIUM ION, ZINC ION, ... | 著者 | Burdi, D.F, Herman, L, Wang, T. | 登録日 | 2015-03-16 | 公開日 | 2015-04-29 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.502 Å) | 主引用文献 | Evolution and synthesis of novel orally bioavailable inhibitors of PDE10A. Bioorg.Med.Chem.Lett., 25, 2015
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1YHJ
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![BU of 1yhj by Molmil](/molmil-images/mine/1yhj) | Crystal Structure of Pyridoxal Kinase in Complex with Roscovitine and Derivatives | 分子名称: | (2R)-2-{[6-(BENZYLOXY)-9-ISOPROPYL-9H-PURIN-2-YL]AMINO}BUTAN-1-OL, Pyridoxal Kinase | 著者 | Tang, L, Li, M.-H, Cao, P, Wang, F, Chang, W.-R, Bach, S, Reinhardt, J, Ferandin, Y, Koken, M, Galons, H, Wan, Y, Gray, N, Meijer, L, Jiang, T, Liang, D.-C. | 登録日 | 2005-01-09 | 公開日 | 2005-07-05 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Crystal structure of pyridoxal kinase in complex with roscovitine and derivatives. J.Biol.Chem., 280, 2005
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1UNL
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![BU of 1unl by Molmil](/molmil-images/mine/1unl) | Structural mechanism for the inhibition of CD5-p25 from the roscovitine, aloisine and indirubin. | 分子名称: | CYCLIN-DEPENDENT KINASE 5, CYCLIN-DEPENDENT KINASE 5 ACTIVATOR 1, R-ROSCOVITINE | 著者 | Mapelli, M, Crovace, C, Massimiliano, L, Musacchio, A. | 登録日 | 2003-09-10 | 公開日 | 2004-11-10 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Mechanism of Cdk5/P25 Binding by Cdk Inhibitors J.Med.Chem., 48, 2005
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6ENM
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![BU of 6enm by Molmil](/molmil-images/mine/6enm) | Crystal structure of MMP12 in complex with hydroxamate inhibitor LP168. | 分子名称: | 2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]-~{N}-oxidanyl-ethanamide, CALCIUM ION, Macrophage metalloelastase, ... | 著者 | Vera, L, Nuti, E, Rossello, A, Stura, E.A. | 登録日 | 2017-10-05 | 公開日 | 2018-05-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.59 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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4YFI
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![BU of 4yfi by Molmil](/molmil-images/mine/4yfi) | TNNI3K complexed with inhibitor 1 | 分子名称: | N-methyl-3-(9H-purin-6-ylamino)benzenesulfonamide, Serine/threonine-protein kinase TNNI3K | 著者 | Shewchuk, L.M, Wang, L, Lawhorn, B.G. | 登録日 | 2015-02-25 | 公開日 | 2015-09-23 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Identification of Purines and 7-Deazapurines as Potent and Selective Type I Inhibitors of Troponin I-Interacting Kinase (TNNI3K). J.Med.Chem., 58, 2015
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2MYL
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1UYK
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![BU of 1uyk by Molmil](/molmil-images/mine/1uyk) | Human Hsp90-alpha with 8-Benzo[1,3]dioxol-,5-ylmethyl-9-butyl-2-fluoro-9H-purin-6-ylamine | 分子名称: | 8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL-2-FLUORO-9H-PURIN-6-YLAMINE, HEAT SHOCK PROTEIN HSP 90-ALPHA | 著者 | Wright, L, Barril, X, Dymock, B, Sheridan, L, Surgenor, A, Beswick, M, Drysdale, M, Collier, A, Massey, A, Davies, N, Fink, A, Fromont, C, Aherne, W, Boxall, K, Sharp, S, Workman, P, Hubbard, R.E. | 登録日 | 2004-03-02 | 公開日 | 2004-07-01 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms Chem.Biol., 11, 2004
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6CSU
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![BU of 6csu by Molmil](/molmil-images/mine/6csu) | The structure of the Cep63-Cep152 heterotetrameric complex | 分子名称: | Centrosomal protein of 152 kDa, Centrosomal protein of 63 kDa | 著者 | Lee, E, Chen, Y, Zhang, L, Kim, T.S, Ahn, J.I, Park, J.E, Lee, K.S. | 登録日 | 2018-03-21 | 公開日 | 2019-03-27 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Molecular architecture of a cylindrical self-assembly at human centrosomes. Nat Commun, 10, 2019
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1JWW
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![BU of 1jww by Molmil](/molmil-images/mine/1jww) | NMR characterization of the N-terminal domain of a potential copper-translocating P-type ATPase from Bacillus subtilis | 分子名称: | Potential copper-transporting ATPase | 著者 | Banci, L, Bertini, I, Ciofi-Baffoni, S, D'Onofrio, M, Gonnelli, L, Marhuenda-Egea, F, Ruiz-Duenas, F.J. | 登録日 | 2001-09-05 | 公開日 | 2002-04-10 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of the N-terminal domain of a potential copper-translocating P-type ATPase from Bacillus subtilis in the apo and Cu(I) loaded states. J.Mol.Biol., 317, 2002
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2VXO
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![BU of 2vxo by Molmil](/molmil-images/mine/2vxo) | Human GMP synthetase in complex with XMP | 分子名称: | GMP SYNTHASE [GLUTAMINE-HYDROLYZING], SULFATE ION, XANTHOSINE-5'-MONOPHOSPHATE | 著者 | Welin, M, Lehtio, L, Andersson, J, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nyman, T, Olesen, K, Persson, C, Sagemark, J, Schueler, H, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wisniewska, M, Wikstrom, M, Nordlund, P. | 登録日 | 2008-07-08 | 公開日 | 2008-08-12 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Substrate Specificity and Oligomerization of Human Gmp Synthetase J.Mol.Biol., 425, 2013
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2ARE
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![BU of 2are by Molmil](/molmil-images/mine/2are) | Pterocarpus angolensis Lectin (PAL) In Complex With D-Mannose (anomeric mixture) | 分子名称: | CALCIUM ION, MANGANESE (II) ION, alpha-D-mannopyranose, ... | 著者 | Buts, L, Garcia-Pino, A, Imberty, A, Amiot, N, Boons, G.-J, Versees, W, Lah, J, Beeckmans, S, Wyns, L, Loris, R. | 登録日 | 2005-08-19 | 公開日 | 2006-08-01 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural basis for the recognition of complex-type biantennary oligosaccharides by Pterocarpus angolensis lectin. Febs J., 273, 2006
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1UYI
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![BU of 1uyi by Molmil](/molmil-images/mine/1uyi) | Human Hsp90-alpha with 8-(2,5-dimethoxy-benzyl)-2-fluoro-9-pent-9H-purin-6-ylamine | 分子名称: | 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9-PENT-9H-PURIN-6-YLAMINE, HEAT SHOCK PROTEIN HSP 90-ALPHA | 著者 | Wright, L, Barril, X, Dymock, B, Sheridan, L, Surgenor, A, Beswick, M, Drysdale, M, Collier, A, Massey, A, Davies, N, Fink, A, Fromont, C, Aherne, W, Boxall, K, Sharp, S, Workman, P, Hubbard, R.E. | 登録日 | 2004-03-02 | 公開日 | 2004-07-01 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms Chem.Biol., 11, 2004
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