4WIH
 
 | | Crystal structure of cAMP-dependent Protein Kinase A from Cricetulus griseus | | 分子名称: | cAMP Dependent Protein Kinase Inhibitor PKI-tide, cAMP-dependent protein kinase catalytic subunit alpha | | 著者 | Kudlinzki, D, Linhard, V.L, Saxena, K, Dreyer, M, Schwalbe, H. | | 登録日 | 2014-09-25 | | 公開日 | 2014-10-22 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.139 Å) | | 主引用文献 | High-resolution crystal structure of cAMP-dependent protein kinase from Cricetulus griseus.
Acta Crystallogr.,Sect.F, 71, 2015
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1IG6
 | | HUMAN MRF-2 DOMAIN, NMR, 11 STRUCTURES | | 分子名称: | MODULATOR RECOGNITION FACTOR 2 | | 著者 | Lin, D, Tsui, V, Case, D, Yuan, Y.C, Chen, Y. | | 登録日 | 2001-04-17 | | 公開日 | 2001-04-25 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | HUMAN MRF-2 DOMAIN, NMR, 11 STRUCTURES
To be Published
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4Y9M
 | | PA3825-EAL Metal-Free-Apo Structure | | 分子名称: | PA3825-EAL, PHOSPHATE ION | | 著者 | Bellini, D, Horrell, S, Wagner, A, Strange, R, Walsh, M.A. | | 登録日 | 2015-02-17 | | 公開日 | 2016-03-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Dimerisation induced formation of the active site and the identification of three metal sites in EAL-phosphodiesterases.
Sci Rep, 7, 2017
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4Y9O
 | | PA3825-EAL Metal-Free-Apo Structure - Manganese Co-crystallisation | | 分子名称: | PA3825-EAL, PHOSPHATE ION | | 著者 | Bellini, D, Horrell, S, Wagner, A, Strange, R, Walsh, M.A. | | 登録日 | 2015-02-17 | | 公開日 | 2016-09-14 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | MucR and PA3825 EAL-phosphodiesterase domains from Pseudomonas aeruginosa suggest roles for three metals in the active site
To Be Published
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4Y9N
 | | PA3825-EAL Metal-Free-Apo Structure - Magnesium Co-crystallisation | | 分子名称: | PA3825-EAL, PHOSPHATE ION | | 著者 | Bellini, D, Horrell, S, Wagner, A, Strange, R, Walsh, M.A. | | 登録日 | 2015-02-17 | | 公開日 | 2016-03-09 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Structure of PA3825 from P. aeruginosa bound to cyclic di-GMP and pGpG: new insights for a potential three-metal catalytic mechanism of EAL domains
To Be Published
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7AT5
 | | Structure of protein kinase ck2 catalytic subunit (csnk2a1 gene product) in complex with the bivalent inhibitor KN2 | | 分子名称: | 1,2-ETHANEDIOL, 2-(3,4-dichlorophenyl)ethanamine, Casein kinase II subunit alpha, ... | | 著者 | Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K. | | 登録日 | 2020-10-29 | | 公開日 | 2021-08-04 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity.
J.Med.Chem., 65, 2022
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7AT9
 | | Structure of protein kinase ck2 catalytic subunit (csnk2a2 gene product) in complex with the ATP-competitive inhibitor MB002 and the alphaD-pocket ligand 3,4-dichlorophenethylamine | | 分子名称: | 1,2-ETHANEDIOL, 2-(3,4-dichlorophenyl)ethanamine, 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol, ... | | 著者 | Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K. | | 登録日 | 2020-10-29 | | 公開日 | 2021-08-04 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity.
J.Med.Chem., 65, 2022
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7ATV
 | | Structure of protein kinase ck2 catalytic subunit (csnk2a2 gene product) in complex with the bivalent inhibitor KN2 | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Casein kinase II subunit alpha', ... | | 著者 | Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K. | | 登録日 | 2020-10-31 | | 公開日 | 2021-08-04 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (0.98 Å) | | 主引用文献 | Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity.
J.Med.Chem., 65, 2022
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4Y9P
 | | PA3825-EAL Ca-CdG Structure | | 分子名称: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CALCIUM ION, PA3825-EAL | | 著者 | Bellini, D, Horrell, S, Wagner, A, Strange, R, Walsh, M.A. | | 登録日 | 2015-02-17 | | 公開日 | 2016-03-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | MucR and PA3825 EAL-phosphodiesterase domains from Pseudomonas aeruginosa suggest roles for three metals in the active site
To Be Published
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7AIL
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7AGJ
 | | Ribonucleotide Reductase R1 protein from Aquifex aeolicus | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Rehling, D, Scaletti, E.R, Stenmark, P. | | 登録日 | 2020-09-22 | | 公開日 | 2021-10-06 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural and Biochemical Investigation of Class I Ribonucleotide Reductase from the Hyperthermophile Aquifex aeolicus.
Biochemistry, 61, 2022
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7AIK
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7B67
 | | Structure of NUDT15 V18_V19insGV Mutant in complex with TH7755 | | 分子名称: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, MAGNESIUM ION, Nucleotide triphosphate diphosphatase NUDT15, ... | | 著者 | Rehling, D, Stenmark, P. | | 登録日 | 2020-12-07 | | 公開日 | 2021-03-24 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity.
J.Biol.Chem., 296, 2021
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7B65
 | | Structure of NUDT15 R139C Mutant in complex with TH7755 | | 分子名称: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, Nucleotide triphosphate diphosphatase NUDT15 | | 著者 | Rehling, D, Stenmark, P. | | 登録日 | 2020-12-07 | | 公開日 | 2021-03-24 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity.
J.Biol.Chem., 296, 2021
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7B64
 | | Structure of NUDT15 V18I Mutant in complex with TH7755 | | 分子名称: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, Nucleotide triphosphate diphosphatase NUDT15 | | 著者 | Rehling, D, Stenmark, P. | | 登録日 | 2020-12-07 | | 公開日 | 2021-03-24 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity.
J.Biol.Chem., 296, 2021
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7B63
 | | Structure of NUDT15 in complex with TH7755 | | 分子名称: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, MAGNESIUM ION, Probable 8-oxo-dGTP diphosphatase NUDT15 | | 著者 | Rehling, D, Stenmark, P. | | 登録日 | 2020-12-07 | | 公開日 | 2021-03-24 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity.
J.Biol.Chem., 296, 2021
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7B66
 | | Structure of NUDT15 R139H Mutant in complex with TH7755 | | 分子名称: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, Nucleotide triphosphate diphosphatase NUDT15 | | 著者 | Rehling, D, Stenmark, P. | | 登録日 | 2020-12-07 | | 公開日 | 2021-03-24 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity.
J.Biol.Chem., 296, 2021
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8CR7
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8CR3
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8CR4
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5FD5
 | | manganese uptake regulator | | 分子名称: | 1,2-ETHANEDIOL, Ferric uptake regulation protein, SULFATE ION | | 著者 | Bellini, D, Lebedev, A, Keegan, R, Walsh, M.A. | | 登録日 | 2015-12-15 | | 公開日 | 2016-12-28 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Structure of an apo metal-free manganese uptake regulator, mur
To Be Published
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5FD6
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1BWO
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6I1I
 | | Crystal structure of TP domain from Escherichia coli penicillin-binding protein 3 in complex with penicillin | | 分子名称: | Peptidoglycan D,D-transpeptidase FtsI,Peptidoglycan D,D-transpeptidase FtsI, Piperacillin (Open Form) | | 著者 | Bellini, D, Koekemoer, L, Newman, H, Dowson, C.G. | | 登録日 | 2018-10-28 | | 公開日 | 2019-11-20 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Novel and Improved Crystal Structures of H. influenzae, E. coli and P. aeruginosa Penicillin-Binding Protein 3 (PBP3) and N. gonorrhoeae PBP2: Toward a Better Understanding of beta-Lactam Target-Mediated Resistance.
J.Mol.Biol., 431, 2019
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6HZJ
 | | Apo structure of TP domain from clinical penicillin-resistant mutant Neisseria gonorrhoea strain 6140 Penicillin-Binding Protein 2 (PBP2) | | 分子名称: | Probable peptidoglycan D,D-transpeptidase PenA | | 著者 | Bellini, D, Koekemoer, L, Newman, H, Dowson, C.G. | | 登録日 | 2018-10-23 | | 公開日 | 2019-11-20 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Novel and Improved Crystal Structures of H. influenzae, E. coli and P. aeruginosa Penicillin-Binding Protein 3 (PBP3) and N. gonorrhoeae PBP2: Toward a Better Understanding of beta-Lactam Target-Mediated Resistance.
J.Mol.Biol., 431, 2019
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