3WCB
| The complex structure of TcSQS with ligand, BPH1237 | 分子名称: | Farnesyltransferase, putative, hydrogen [(1R)-2-(3-decyl-1H-imidazol-3-ium-1-yl)-1-hydroxy-1-phosphonoethyl]phosphonate | 著者 | Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T. | 登録日 | 2013-05-27 | 公開日 | 2014-06-18 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Squalene synthase as a target for Chagas disease therapeutics. Plos Pathog., 10, 2014
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3VNI
| Crystal structures of D-Psicose 3-epimerase from Clostridium cellulolyticum H10 and its complex with ketohexose sugars | 分子名称: | MANGANESE (II) ION, Xylose isomerase domain protein TIM barrel | 著者 | Chan, H.C, Zhu, Y, Hu, Y, Ko, T.P, Huang, C.H, Ren, F, Chen, C.C, Guo, R.T, Sun, Y. | 登録日 | 2012-01-16 | 公開日 | 2012-08-01 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Crystal structures of D-psicose 3-epimerase from Clostridium cellulolyticum H10 and its complex with ketohexose sugars. Protein Cell, 3, 2012
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3WCE
| The complex structure of TcSQS with ligand, ER119884 | 分子名称: | (3R)-3-{[2-benzyl-6-(3-methoxypropoxy)pyridin-3-yl]ethynyl}-1-azabicyclo[2.2.2]octan-3-ol, Farnesyltransferase, putative | 著者 | Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T. | 登録日 | 2013-05-27 | 公開日 | 2014-06-18 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Squalene synthase as a target for Chagas disease therapeutics. Plos Pathog., 10, 2014
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3WCM
| The complex structure of HsSQS wtih ligand, ER119884 | 分子名称: | (3R)-3-{[2-benzyl-6-(3-methoxypropoxy)pyridin-3-yl]ethynyl}-1-azabicyclo[2.2.2]octan-3-ol, Squalene synthase | 著者 | Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T. | 登録日 | 2013-05-28 | 公開日 | 2014-06-18 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Squalene synthase as a target for Chagas disease therapeutics. Plos Pathog., 10, 2014
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3WC9
| The complex structure of HsSQS wtih ligand, FSPP | 分子名称: | S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, Squalene synthase | 著者 | Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T. | 登録日 | 2013-05-26 | 公開日 | 2014-06-18 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.82 Å) | 主引用文献 | Squalene synthase as a target for Chagas disease therapeutics. Plos Pathog., 10, 2014
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3WCF
| The complex structure of HsSQS wtih ligand,BPH1218 | 分子名称: | Squalene synthase, hydrogen [(1S)-2-(3-decyl-1H-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate | 著者 | Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T. | 登録日 | 2013-05-27 | 公開日 | 2014-06-18 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Squalene synthase as a target for Chagas disease therapeutics. Plos Pathog., 10, 2014
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3WCJ
| The complex structure of HsSQS wtih ligand,E5700 | 分子名称: | (3R)-3-({2-benzyl-6-[(3R,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridin-3-yl}ethynyl)-1-azabicyclo[2.2.2]octan-3-ol, Squalene synthase | 著者 | Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T. | 登録日 | 2013-05-27 | 公開日 | 2014-06-18 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Squalene synthase as a target for Chagas disease therapeutics. Plos Pathog., 10, 2014
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3WDI
| Crystal structure of Pullulanase complexed with maltotriose from Anoxybacillus sp. LM18-11 | 分子名称: | CALCIUM ION, Type I pullulanase, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | 著者 | Xu, J, Ren, F, Huang, C.H, Zheng, Y, Zhen, J, Ko, T.P, Chen, C.C, Chan, H.C, Guo, R.T, Ma, Y, Song, H. | 登録日 | 2013-06-18 | 公開日 | 2014-06-04 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Cloning, Expression, Functional and Structural Studies of Pullulanase from Anoxybacillus sp. LM18-11 To be Published
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3WCC
| The complex structure of TcSQS with ligand, E5700 | 分子名称: | (3R)-3-({2-benzyl-6-[(3R,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridin-3-yl}ethynyl)-1-azabicyclo[2.2.2]octan-3-ol, Farnesyltransferase, putative | 著者 | Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T. | 登録日 | 2013-05-27 | 公開日 | 2014-06-18 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | Squalene synthase as a target for Chagas disease therapeutics. Plos Pathog., 10, 2014
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7QH3
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5FTO
| Crystal structure of the ALK kinase domain in complex with Entrectinib | 分子名称: | ALK TYROSINE KINASE RECEPTOR, Entrectinib | 著者 | Bossi, R, Canevari, G, Fasolini, M, Menichincheri, M, Ardini, E, Magnaghi, P, Avanzi, N, Banfi, P, Buffa, L, Ceriani, L, Colombo, M, Corti, L, Donati, D, Felder, E, Fiorelli, C, Fiorentini, F, Galvani, A, Isacchi, A, Lombardi Borgia, A, Marchionni, C, Nesi, M, Orrenius, C, Panzeri, A, Perrone, E, Pesenti, E, Rusconi, L, Saccardo, M.B, Vanotti, E, Orsini, P. | 登録日 | 2016-01-14 | 公開日 | 2016-04-06 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Discovery of Entrectinib: A New 3-Aminoindazole as a Potent Anaplastic Lymphoma Kinase (Alk), C-Ros Oncogene 1 Kinase (Ros1), and Pan-Tropomyosin Receptor Kinases (Pan-Trks) Inhibitor. J.Med.Chem., 59, 2016
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5FTQ
| Crystal structure of the ALK kinase domain in complex with Cmpd 17 | 分子名称: | ALK TYROSINE KINASE RECEPTOR, GLYCEROL, N-[5-(3,5-DIFLUOROBENZYL)-1H-INDAZOL-3-YL]-2-[(4-HYDROXYCYCLOHEXYL)AMINO]-4-(4-METHYLPIPERAZIN-1-YL) BENZAMIDE | 著者 | Bossi, R, Canevari, G, Fasolini, M, Menichincheri, M, Ardini, E, Magnaghi, P, Avanzi, N, Banfi, P, Buffa, L, Ceriani, L, Colombo, M, Corti, L, Donati, D, Felder, E, Fiorelli, C, Fiorentini, F, Galvani, A, Isacchi, A, Lombardi Borgia, A, Marchionni, C, Nesi, M, Orrenius, C, Panzeri, A, Perrone, E, Pesenti, E, Rusconi, L, Saccardo, M.B, Vanotti, E, Orsini, P. | 登録日 | 2016-01-14 | 公開日 | 2016-04-06 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Discovery of Entrectinib: A New 3-Aminoindazole as a Potent Anaplastic Lymphoma Kinase (Alk), C-Ros Oncogene 1 Kinase (Ros1), and Pan-Tropomyosin Receptor Kinases (Pan-Trks) Inhibitor. J.Med.Chem., 59, 2016
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6SEM
| Crystal Structure of Ancestral Flavin-containing monooxygenase (FMO) 2 | 分子名称: | Ancestral Flavin-containing monooxygenase (FMO) 2, FLAVIN-ADENINE DINUCLEOTIDE | 著者 | Nicoll, C, Bailleul, G, Fiorentini, F, Mascotti, M.L, Fraaije, M, Mattevi, A. | 登録日 | 2019-07-30 | 公開日 | 2019-12-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Ancestral-sequence reconstruction unveils the structural basis of function in mammalian FMOs. Nat.Struct.Mol.Biol., 27, 2020
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6SE3
| Crystal Structure of Ancestral Flavin-containing monooxygenase (FMO) 3-6 | 分子名称: | Ancestral Flavin-containing monooxygenase (FMO) 3-6, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Nicoll, C, Bailleul, G, Fiorentini, F, Mascotti, M.L, Fraaije, M, Mattevi, A. | 登録日 | 2019-07-29 | 公開日 | 2019-12-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Ancestral-sequence reconstruction unveils the structural basis of function in mammalian FMOs. Nat.Struct.Mol.Biol., 27, 2020
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6SF0
| Crystal Structure of Ancestral Flavin-containing monooxygenase (FMO) 2 in the presence of NADP+ | 分子名称: | Ancestral Flavin-containing monooxygenase (FMO) 2, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Nicoll, C, Bailleul, G, Fiorentini, F, Mascotti, M.L, Fraaije, M, Mattevi, A. | 登録日 | 2019-07-30 | 公開日 | 2019-12-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.01 Å) | 主引用文献 | Ancestral-sequence reconstruction unveils the structural basis of function in mammalian FMOs. Nat.Struct.Mol.Biol., 27, 2020
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6SEK
| Crystal Structure of Ancestral Flavin-containing monooxygenase (FMO) 5 | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Ancestral Flavin-containing monooxygenase 5, DODECYL-BETA-D-MALTOSIDE, ... | 著者 | Nicoll, C, Bailleul, G, Fiorentini, F, Mascotti, M.L, Fraaije, M, Mattevi, A. | 登録日 | 2019-07-30 | 公開日 | 2019-12-25 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Ancestral-sequence reconstruction unveils the structural basis of function in mammalian FMOs. Nat.Struct.Mol.Biol., 27, 2020
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3QPL
| G106W mutant of EthR from Mycobacterium tuberculosis | 分子名称: | HTH-type transcriptional regulator EthR | 著者 | Carette, X, Willery, E, Hoos, S, Lecat-Guillet, N, Frenois, F, Dirie, B, Villeret, V, England, P, Deprez, B, Locht, C, Willand, N, Baulard, A. | 登録日 | 2011-02-14 | 公開日 | 2011-12-28 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Structural activation of the transcriptional repressor EthR from Mycobacterium tuberculosis by single amino acid change mimicking natural and synthetic ligands. Nucleic Acids Res., 40, 2012
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3G1M
| EthR from Mycobacterium tuberculosis in complex with compound BDM31381 | 分子名称: | 1-(thiophen-2-ylacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine, TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN (TETR-FAMILY) ETHR | 著者 | Willand, N, Dirie, B, Carette, X, Bifani, P, Singhal, A, Desroses, M, Leroux, F, Willery, E, Mathys, V, Deprez-Poulain, R, Delcroix, G, Frenois, F, Aumercier, M, Locht, C, Villeret, V, Deprez, B, Baulard, A.R. | 登録日 | 2009-01-30 | 公開日 | 2009-07-21 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Synthetic EthR inhibitors boost antituberculous activity of ethionamide. Nat.Med. (N.Y.), 15, 2009
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3G1O
| EthR from Mycobacterium tuberculosis in complex with compound BDM14500 | 分子名称: | TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN (TETR-FAMILY) ETHR, tert-butyl 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate | 著者 | Willand, N, Dirie, B, Carette, X, Bifani, P, Singhal, A, Desroses, M, Leroux, F, Willery, E, Mathys, V, Deprez-Poulain, R, Delcroix, G, Frenois, F, Aumercier, M, Locht, C, Villeret, V, Deprez, B, Baulard, A.R. | 登録日 | 2009-01-30 | 公開日 | 2009-07-21 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Synthetic EthR inhibitors boost antituberculous activity of ethionamide. NAT.MED. (N.Y.), 15, 2009
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3G1L
| EthR from Mycobacterium tuberculosis in complex with compound BDM14744 | 分子名称: | 3-(4-fluorophenyl)-5-phenyl-4H-1,2,4-triazole, TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN (TETR-FAMILY) ETHR | 著者 | Willand, N, Dirie, B, Carette, X, Bifani, P, Singhal, A, Desroses, M, Leroux, F, Willery, E, Mathys, V, Deprez-Poulain, R, Delcroix, G, Frenois, F, Aumercier, M, Locht, C, Villeret, V, Deprez, B, Baulard, A.R. | 登録日 | 2009-01-30 | 公開日 | 2009-07-21 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Synthetic EthR inhibitors boost antituberculous activity of ethionamide. Nat.Med. (N.Y.), 15, 2009
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2WIP
| STRUCTURE OF CDK2-CYCLIN A COMPLEXED WITH 8-ANILINO-1-METHYL-4,5-DIHYDRO- 1H-PYRAZOLO[4,3-H] QUINAZOLINE-3-CARBOXYLIC ACID | 分子名称: | 1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid, CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, ... | 著者 | Brasca, M.G, Amboldi, N, Ballinari, D, Cameron, A.D, Casale, E, Cervi, G, Colombo, M, Colotta, F, Croci, V, Dalessio, R, Fiorentini, F, Isacchi, A, Mercurio, C, Moretti, W, Panzeri, A, Pastori, W, Pevarello, P, Quartieri, F, Roletto, F, Traquandi, G, Vianello, P, Vulpetti, A, Ciomei, M. | 登録日 | 2009-05-14 | 公開日 | 2009-07-28 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Identification of N,1,4,4-Tetramethyl-8-{[4-(4-Methylpiperazin-1-Yl)Phenyl]Amino}-4,5-Dihydro-1H-Pyrazolo[4,3-H]Quinazoline-3-Carboxamide (Pha-848125), a Potent, Orally Available Cyclin Dependent Kinase Inhibitor. J.Med.Chem., 52, 2009
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2WIH
| STRUCTURE OF CDK2-CYCLIN A WITH PHA-848125 | 分子名称: | CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, N,1,4,4-TETRAMETHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, ... | 著者 | Brasca, M.G, Amboldi, N, Ballinari, D, Cameron, A.D, Casale, E, Cervi, G, Colombo, M, Colotta, F, Croci, V, Dalessio, R, Fiorentini, F, Isacchi, A, Mercurio, C, Moretti, W, Panzeri, A, Pastori, W, Pevarello, P, Quartieri, F, Roletto, F, Traquandi, G, Vianello, P, Vulpetti, A, Ciomei, M. | 登録日 | 2009-05-13 | 公開日 | 2009-07-28 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Identification of N,1,4,4-Tetramethyl-8-{[4-(4-Methylpiperazin-1-Yl)Phenyl]Amino}-4,5-Dihydro-1H-Pyrazolo[4,3-H]Quinazoline-3-Carboxamide (Pha-848125), a Potent, Orally Available Cyclin Dependent Kinase Inhibitor. J.Med.Chem., 52, 2009
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2W6Y
| Crystal structure of Sperm Whale Myoglobin mutant YQR in complex with Xenon | 分子名称: | MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | 著者 | Miele, A.E, Draghi, F, Renzi, F, Sciara, G, Johnson, K.A, Vallone, B, Brunori, M, Savino, C. | 登録日 | 2008-12-19 | 公開日 | 2009-12-22 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | When the Same Fold Does not Mean the Same Function: The Case of Xenon Cavities in Hemoglobin and Myoglobin To be Published
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2W6X
| Crystal structure of Sperm Whale Myoglobin mutant YQRF in complex with Xenon | 分子名称: | MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | 著者 | Miele, A.E, Draghi, F, Renzi, F, Sciara, G, Johnson, K.A, Vallone, B, Brunori, M, Savino, C. | 登録日 | 2008-12-19 | 公開日 | 2009-12-22 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | When the Same Fold Does not Mean the Same Function: The Case of Xenon Cavities in Hemoglobin and Myoglobin To be Published
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2W6V
| Structure of Human deoxy Hemoglobin A in complex with Xenon | 分子名称: | GLYCEROL, HEMOGLOBIN SUBUNIT ALPHA, HEMOGLOBIN SUBUNIT BETA, ... | 著者 | Miele, A.E, Draghi, F, Sciara, G, Johnson, K.A, Renzi, F, Vallone, B, Brunori, M, Savino, C. | 登録日 | 2008-12-19 | 公開日 | 2009-04-28 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Pattern of Cavities in Globins: The Case of Human Hemoglobin. Biopolymers, 91, 2009
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