3MTL
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![BU of 3mtl by Molmil](/molmil-images/mine/3mtl) | Crystal structure of the PCTAIRE1 kinase in complex with Indirubin E804 | 分子名称: | (2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME}, Cell division protein kinase 16 | 著者 | Krojer, T, Sharpe, T.D, Roos, A, Savitsky, P, Amos, A, Ayinampudi, V, Berridge, G, Fedorov, O, Keates, T, Phillips, C, Burgess-Brown, N, Zhang, Y, Pike, A.C.W, Muniz, J, Vollmar, M, Thangaratnarajah, C, Rellos, P, Ugochukwu, E, Filippakopoulos, P, Yue, W, Das, S, von Delft, F, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC) | 登録日 | 2010-04-30 | 公開日 | 2010-06-09 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure and inhibitor specificity of the PCTAIRE-family kinase CDK16. Biochem.J., 474, 2017
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6GPK
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![BU of 6gpk by Molmil](/molmil-images/mine/6gpk) | Crystal structure of human GDP-D-mannose 4,6-dehydratase (E157Q) in complex with GDP-Man | 分子名称: | 1,2-ETHANEDIOL, GDP-mannose 4,6 dehydratase, GLYCEROL, ... | 著者 | Pfeiffer, M, Krojer, T, Johansson, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Nidetzky, B, Oppermann, U, Structural Genomics Consortium (SGC) | 登録日 | 2018-06-06 | 公開日 | 2018-07-18 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | A Parsimonious Mechanism of Sugar Dehydration by Human GDP-Mannose-4,6-dehydratase. Acs Catalysis, 9, 2019
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6GPL
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![BU of 6gpl by Molmil](/molmil-images/mine/6gpl) | Crystal structure of human GDP-D-mannose 4,6-dehydratase in complex with GDP-4k6d-Man | 分子名称: | 1,2-ETHANEDIOL, BICINE, GDP-mannose 4,6 dehydratase, ... | 著者 | Pfeiffer, M, Krojer, T, Johansson, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Nidetzky, B, Oppermann, U, Structural Genomics Consortium (SGC) | 登録日 | 2018-06-06 | 公開日 | 2018-07-18 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | A Parsimonious Mechanism of Sugar Dehydration by Human GDP-Mannose-4,6-dehydratase. Acs Catalysis, 9, 2019
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8G4G
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![BU of 8g4g by Molmil](/molmil-images/mine/8g4g) | Crystal Engineering with One 8-mer DNA | 分子名称: | DNA (5'-D(*AP*TP*CP*GP*G)-3'), DNA (5'-D(*AP*TP*CP*GP*GP*CP*CP*G)-3'), DNA (5'-D(P*CP*CP*G)-3') | 著者 | Zhao, J, Zhang, C, Lu, B, Seeman, N.C, Noinaj, N, Sha, R, Mao, C. | 登録日 | 2023-02-09 | 公開日 | 2023-05-10 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Divergence and Convergence: Complexity Emerges in Crystal Engineering from an 8-mer DNA. J.Am.Chem.Soc., 145, 2023
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6A3W
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![BU of 6a3w by Molmil](/molmil-images/mine/6a3w) | Complex structure of 4-1BB and utomilumab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor receptor superfamily member 9, utomilumab VH, ... | 著者 | Li, Y, Tan, S, Zhang, C, Chai, Y, Qi, J, Tien, P, Gao, S, Gao, G.F. | 登録日 | 2018-06-17 | 公開日 | 2018-10-10 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Limited Cross-Linking of 4-1BB by 4-1BB Ligand and the Agonist Monoclonal Antibody Utomilumab. Cell Rep, 25, 2018
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7YL2
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![BU of 7yl2 by Molmil](/molmil-images/mine/7yl2) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y07004 | 分子名称: | Bromodomain-containing protein 4, GLYCEROL, N-(1-ethyl-2-oxidanylidene-3H-indol-5-yl)cyclohexanesulfonamide, ... | 著者 | Huang, Y, Wei, A, Dong, R, Xu, H, Zhang, C, Chen, Z, Li, J, Wu, X, Zhang, Y, Xu, Y. | 登録日 | 2022-07-25 | 公開日 | 2023-07-26 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y07004 To Be Published
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5FBH
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![BU of 5fbh by Molmil](/molmil-images/mine/5fbh) | Crystal structure of the extracellular domain of human calcium sensing receptor with bound Gd3+ | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BICARBONATE ION, CHLORIDE ION, ... | 著者 | Zhang, T, Zhang, C, Miller, C.L, Zou, J, Moremen, K.W, Brown, E.M, Yang, J.J, Hu, J. | 登録日 | 2015-12-14 | 公開日 | 2016-06-22 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural basis for regulation of human calcium-sensing receptor by magnesium ions and an unexpected tryptophan derivative co-agonist. Sci Adv, 2, 2016
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6XIN
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![BU of 6xin by Molmil](/molmil-images/mine/6xin) | The crystal structure of tryptophan synthase from Salmonella enterica serovar typhimurium in complex with (2S)-3-Amino-3-imino-2-phenyldiazenylpropanamide at the enzyme alpha-site. | 分子名称: | (2R,3Z)-3-amino-3-imino-2-[(E)-phenyldiazenyl]propanamide, 1,2-ETHANEDIOL, CESIUM ION, ... | 著者 | Hilario, E, Chang, C, Mueller, L.J, Dunn, M.F, Fan, L. | 登録日 | 2020-06-20 | 公開日 | 2021-06-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | The crystal structure of tryptophan synthase from Salmonella enterica serovar typhimurium in complex with (2S)-3-Amino-3-imino-2-phenyldiazenylpropanamide at the enzyme alpha-site. To Be Published
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5YHQ
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![BU of 5yhq by Molmil](/molmil-images/mine/5yhq) | Cryo-EM Structure of CVA6 VLP | 分子名称: | Capsid protein VP1, Capsid protein VP3, capsid protein VP0 | 著者 | Chen, J, Zhang, C, Huang, Z, Cong, Y. | 登録日 | 2017-09-29 | 公開日 | 2017-10-25 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | A 3.0-Angstrom Resolution Cryo-Electron Microscopy Structure and Antigenic Sites of Coxsackievirus A6-Like Particles. J. Virol., 92, 2018
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5LWB
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![BU of 5lwb by Molmil](/molmil-images/mine/5lwb) | Crystal structure of human JARID1B in complex with S40650a | 分子名称: | 1,2-ETHANEDIOL, 5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-7-oxidanylidene-6-propan-2-yl-6~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile, DIMETHYL SULFOXIDE, ... | 著者 | Srikannathasan, V, Le Bihan, Y.V, Szykowska, A, Johansson, C, Gileadi, C, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Oppermann, U, Huber, K. | 登録日 | 2016-09-15 | 公開日 | 2016-10-26 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Crystal structure of human JARID1B in complex with S40650a to be published
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8FDS
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![BU of 8fds by Molmil](/molmil-images/mine/8fds) | Ankyrin domain of SKD3 isoform 2 | 分子名称: | Caseinolytic peptidase B protein homolog, FORMIC ACID | 著者 | Lee, S, Tsai, F.T.F, Chang, C. | 登録日 | 2022-12-04 | 公開日 | 2023-04-19 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Structural basis of impaired disaggregase function in the oxidation-sensitive SKD3 mutant causing 3-methylglutaconic aciduria. Nat Commun, 14, 2023
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5A7Q
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![BU of 5a7q by Molmil](/molmil-images/mine/5a7q) | Crystal structure of human JMJD2A in complex with compound 30 | 分子名称: | 1,2-ETHANEDIOL, 2-(5-azanyl-2-oxidanyl-phenyl)pyridine-4-carboxylic acid, CHLORIDE ION, ... | 著者 | Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Kopec, J, Dixon-Clarke, S, MacKenzie, A, Nowak, R, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U. | 登録日 | 2015-07-09 | 公開日 | 2016-01-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors. J.Med.Chem., 59, 2016
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5A7N
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![BU of 5a7n by Molmil](/molmil-images/mine/5a7n) | Crystal structure of human JMJD2A in complex with compound 43 | 分子名称: | 1,2-ETHANEDIOL, 2-(5-cyano-2-oxidanyl-phenyl)pyridine-4-carboxylic acid, LYSINE-SPECIFIC DEMETHYLASE 4A, ... | 著者 | Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Williams, E, Riesebos, E, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U. | 登録日 | 2015-07-09 | 公開日 | 2016-01-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors. J.Med.Chem., 59, 2016
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2VNA
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![BU of 2vna by Molmil](/molmil-images/mine/2vna) | Structure of Human Zinc-binding Alcohol Dehydrogenase 1 (ZADH1) | 分子名称: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROSTAGLANDIN REDUCTASE 2 | 著者 | Shafqat, N, Kavanagh, K, Pike, A.C.W, Muniz, J.R.C, Pilka, E, Roos, A.K, Picaud, S, Johansson, C, Smee, C, Fedorov, O, Kochan, G, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, von Delft, F, Opperman, U. | 登録日 | 2008-02-01 | 公開日 | 2009-02-17 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Structure of Human Zinc-Binding Alcohol Dehydrogenase 1 (Zadh1) To be Published
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3MT0
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![BU of 3mt0 by Molmil](/molmil-images/mine/3mt0) | The crystal structure of a functionally unknown protein PA1789 from Pseudomonas aeruginosa PAO1 | 分子名称: | CHLORIDE ION, uncharacterized protein PA1789 | 著者 | Tan, K, Chang, C, Tesar, C, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2010-04-29 | 公開日 | 2010-05-12 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.582 Å) | 主引用文献 | The crystal structure of a functionally unknown protein PA1789 from Pseudomonas aeruginosa PAO1 To be Published
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1VJS
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![BU of 1vjs by Molmil](/molmil-images/mine/1vjs) | |
5LW9
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![BU of 5lw9 by Molmil](/molmil-images/mine/5lw9) | Crystal structure of human JARID1B in complex with S40563a | 分子名称: | 1,2-ETHANEDIOL, 8-[4-[2-[4-[3,5-bis(chloranyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | 著者 | Srikannathasan, V, Le Bihan, Y.V, Szykowska, A, Johansson, C, Gileadi, C, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Oppermann, U, Huber, K. | 登録日 | 2016-09-15 | 公開日 | 2016-09-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structure of human JARID1B in complex with S40563a to be published
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5FBK
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![BU of 5fbk by Molmil](/molmil-images/mine/5fbk) | Crystal structure of the extracellular domain of human calcium sensing receptor | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BICARBONATE ION, CHLORIDE ION, ... | 著者 | Zhang, T, Zhang, C, Miller, C.L, Zou, J, Moremen, K.W, Brown, E.M, Yang, J.J, Hu, J. | 登録日 | 2015-12-14 | 公開日 | 2016-06-22 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural basis for regulation of human calcium-sensing receptor by magnesium ions and an unexpected tryptophan derivative co-agonist. Sci Adv, 2, 2016
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1Y2E
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![BU of 1y2e by Molmil](/molmil-images/mine/1y2e) | Catalytic Domain Of Human Phosphodiesterase 4D In Complex With 1-(4-amino-phenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester | 分子名称: | 1,2-ETHANEDIOL, 1-(4-AMINOPHENYL)-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, MAGNESIUM ION, ... | 著者 | Card, G.L, Blasdel, L, England, B.P, Zhang, C, Suzuki, Y, Gillette, S, Fong, D, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | 登録日 | 2004-11-22 | 公開日 | 2005-03-01 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design Nat.Biotechnol., 23, 2005
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1YF6
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![BU of 1yf6 by Molmil](/molmil-images/mine/1yf6) | Structure of a quintuple mutant of photosynthetic reaction center from rhodobacter sphaeroides | 分子名称: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ... | 著者 | Paddock, M.L, Chang, C, Xu, Q, Abresch, E.C, Axelrod, H.L. | 登録日 | 2004-12-30 | 公開日 | 2005-05-17 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Quinone (Q(B)) Reduction by B-Branch Electron Transfer in Mutant Bacterial Reaction Centers from Rhodobacter sphaeroides: Quantum Efficiency and X-ray Structure. Biochemistry, 44, 2005
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1Y2J
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![BU of 1y2j by Molmil](/molmil-images/mine/1y2j) | Catalytic Domain Of Human Phosphodiesterase 4B In Complex With 3,5-dimethyl-1-(3-nitro-phenyl)-1H-pyrazole-4-carboxylic acid ethyl ester | 分子名称: | 3,5-DIMETHYL-1-(3-NITROPHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, MAGNESIUM ION, ZINC ION, ... | 著者 | Card, G.L, Blasdel, L, England, B.P, Zhang, C, Suzuki, Y, Gillette, S, Fong, D, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | 登録日 | 2004-11-22 | 公開日 | 2005-03-01 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design Nat.Biotechnol., 23, 2005
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1Y2D
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![BU of 1y2d by Molmil](/molmil-images/mine/1y2d) | Catalytic Domain Of Human Phosphodiesterase 4D In Complex With 1-(4-methoxy-phenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester | 分子名称: | 1,2-ETHANEDIOL, 1-(4-METHOXYPHENYL)-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | 著者 | Card, G.L, Blasdel, L, England, B.P, Zhang, C, Suzuki, Y, Gillette, S, Fong, D, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | 登録日 | 2004-11-22 | 公開日 | 2005-03-01 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design Nat.Biotechnol., 23, 2005
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6X1B
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![BU of 6x1b by Molmil](/molmil-images/mine/6x1b) | Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with the Product Nucleotide GpU. | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-R(*GP*U)-3'), PHOSPHATE ION, ... | 著者 | Kim, Y, Maltseva, N, Jedrzejczak, R, Welk, L, Endres, M, Chang, C, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2020-05-18 | 公開日 | 2020-05-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Tipiracil binds to uridine site and inhibits Nsp15 endoribonuclease NendoU from SARS-CoV-2. Commun Biol, 4, 2021
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1Y2H
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![BU of 1y2h by Molmil](/molmil-images/mine/1y2h) | Catalytic Domain Of Human Phosphodiesterase 4B In Complex With 1-(2-chloro-phenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester | 分子名称: | 1-(2-CHLOROPHENYL)-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, MAGNESIUM ION, ZINC ION, ... | 著者 | Card, G.L, Blasdel, L, England, B.P, Zhang, C, Suzuki, Y, Gillette, S, Fong, D, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | 登録日 | 2004-11-22 | 公開日 | 2005-03-01 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design Nat.Biotechnol., 23, 2005
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1Y2C
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![BU of 1y2c by Molmil](/molmil-images/mine/1y2c) | Catalytic Domain Of Human Phosphodiesterase 4D In Complex With 3,5-dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester | 分子名称: | 1,2-ETHANEDIOL, 3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, MAGNESIUM ION, ... | 著者 | Card, G.L, Blasdel, L, England, B.P, Zhang, C, Suzuki, Y, Gillette, S, Fong, D, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | 登録日 | 2004-11-22 | 公開日 | 2005-03-01 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design Nat.Biotechnol., 23, 2005
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