5G2H
| S. enterica HisA with mutation L169R | 分子名称: | 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, GLYCEROL, SODIUM ION, ... | 著者 | Newton, M, Guo, X, Soderholm, A, Nasvall, J, Duarte, F, Andersson, D, Patrick, W, Selmer, M. | 登録日 | 2016-04-08 | 公開日 | 2017-04-19 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5G1Y
| S. enterica HisA mutant D10G, dup13-15,V14:2M, Q24L, G102 | 分子名称: | 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, GLYCEROL, SULFATE ION | 著者 | Guo, X, Soderholm, A, Newton, M, Nasvall, J, Andersson, D, Patrick, W, Selmer, M. | 登録日 | 2016-04-01 | 公開日 | 2017-04-12 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.798 Å) | 主引用文献 | Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5G4E
| S. enterica HisA mutant D10G, Dup13-15, Q24L, G102A, V106L | 分子名称: | 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, ACETIC ACID, GLYCEROL, ... | 著者 | Soderholm, A, Guo, X, Newton, M, Nasvall, J, Duarte, F, Andersson, D, Patrick, W, Selmer, M. | 登録日 | 2016-05-12 | 公開日 | 2017-04-19 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4R68
| Lactate Dehydrogenase in complex with inhibitor compound 31 | 分子名称: | (1S)-1-phenylethyl (4-chloro-3-{[(4S)-4-(2,6-dichlorophenyl)-2-hydroxy-6-oxocyclohex-1-en-1-yl]sulfanyl}phenyl)acetate, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Eigenbrot, C, Ultsch, M. | 登録日 | 2014-08-22 | 公開日 | 2014-12-24 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.112 Å) | 主引用文献 | Optimization of 5-(2,6-dichlorophenyl)-3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase. Bioorg.Med.Chem.Lett., 25, 2014
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2AV8
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4MB9
| Structure of Streptococcus pneumonia ParE in complex with AZ13102335 | 分子名称: | 1-ethyl-3-{6-(pyrimidin-5-yl)-5-[(3R)-tetrahydrofuran-3-ylmethoxy][1,3]thiazolo[5,4-b]pyridin-2-yl}urea, DNA topoisomerase IV, B subunit, ... | 著者 | Ogg, D, Tucker, J. | 登録日 | 2013-08-19 | 公開日 | 2013-10-16 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Thiazolopyridine Ureas as Novel Antitubercular Agents Acting through Inhibition of DNA Gyrase B. J.Med.Chem., 56, 2013
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4MBC
| Structure of Streptococcus pneumonia ParE in complex with AZ13053807 | 分子名称: | 1-{5-[2-(morpholin-4-yl)ethoxy]-6-(pyridin-3-yl)[1,3]thiazolo[5,4-b]pyridin-2-yl}-3-prop-2-en-1-ylurea, DNA topoisomerase IV, B subunit | 著者 | Ogg, D, Tucker, J. | 登録日 | 2013-08-19 | 公開日 | 2013-10-16 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Thiazolopyridine Ureas as Novel Antitubercular Agents Acting through Inhibition of DNA Gyrase B. J.Med.Chem., 56, 2013
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5V0U
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5V18
| Structure of PHD2 in complex with 1,2,4-Triazolo-[1,5-a]pyridine | 分子名称: | 4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile, Egl nine homolog 1, FE (II) ION, ... | 著者 | Skene, R.J. | 登録日 | 2017-03-01 | 公開日 | 2017-06-21 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | 1,2,4-Triazolo-[1,5-a]pyridine HIF Prolylhydroxylase Domain-1 (PHD-1) Inhibitors With a Novel Monodentate Binding Interaction. J. Med. Chem., 60, 2017
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5V1B
| Structure of PHD1 in complex with 1,2,4-Triazolo-[1,5-a]pyridine | 分子名称: | 4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile, Egl nine homolog 2, FE (III) ION, ... | 著者 | Skene, R.J. | 登録日 | 2017-03-01 | 公開日 | 2017-06-21 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | 1,2,4-Triazolo-[1,5-a]pyridine HIF Prolylhydroxylase Domain-1 (PHD-1) Inhibitors With a Novel Monodentate Binding Interaction. J. Med. Chem., 60, 2017
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8SF8
| Structure of bovine PKA bound to (R)-N-(4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl)-2-amino-4-methylpentanamide | 分子名称: | N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-D-leucinamide, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | 著者 | Coker, J.A, Arya, T, Goins, C.M, Maw, J.J, Macdonald, J.D, Stauffer, S.R. | 登録日 | 2023-04-10 | 公開日 | 2024-02-21 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Discovery and Characterization of Selective, First-in-Class Inhibitors of Citron Kinase. J.Med.Chem., 67, 2024
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2V22
| REPLACE: A strategy for Iterative Design of Cyclin Binding Groove Inhibitors | 分子名称: | CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, N~2~-{[1-(4-CHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOL-3-YL]CARBONYL}-N~5~-(DIAMINOMETHYLIDENE)-L-ORNITHYL-L-LEUCYL-L-ISOLEUCYL-4-FLUORO-L-PHENYLALANINAMIDE | 著者 | Andrews, M.J, Kontopidis, G, McInnes, C, Plater, A, Innes, L, Cowan, A, Jewsbury, P, Fischer, P.M. | 登録日 | 2007-05-31 | 公開日 | 2008-01-29 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Replace: A Strategy for Iterative Design of Cyclin- Binding Groove Inhibitors Chembiochem, 7, 2006
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1PVC
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4MAB
| Resolving Cys to Ala variant of Salmonella Alkyl Hydroperoxide Reductase C in its substrate-ready conformation | 分子名称: | Alkyl hydroperoxide reductase subunit C, CHLORIDE ION, GLYCEROL, ... | 著者 | Perkins, A, Nelson, K.J, Williams, J.R, Poole, L.B, Karplus, P.A. | 登録日 | 2013-08-15 | 公開日 | 2013-11-20 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The sensitive balance between the fully folded and locally unfolded conformations of a model peroxiredoxin. Biochemistry, 52, 2013
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3DTS
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1ZNJ
| INSULIN, MONOCLINIC CRYSTAL FORM | 分子名称: | CHLORIDE ION, INSULIN, PHENOL, ... | 著者 | Turkenburg, M.G.W, Whittingham, J.L, Turkenburg, J.P, Dodson, G.G, Derewenda, U, Smith, G.D, Dodson, E.J, Derewenda, Z.S, Xiao, B. | 登録日 | 1997-09-23 | 公開日 | 1998-01-28 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure Determination and Refinement of Two Crystal Forms of Native Insulins To be Published
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3MB7
| Human CK2 catalytic domain in complex with a difurane derivative inhibitor (AMR) | 分子名称: | Casein kinase II subunit alpha, SULFATE ION, naphtho[2,1-b:7,8-b']difuran-2,9-dicarboxylic acid | 著者 | Reiser, J.-B, Prudent, R, Cochet, C. | 登録日 | 2010-03-25 | 公開日 | 2010-05-05 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | New potent dual inhibitors of CK2 and Pim kinases: discovery and structural insights. Faseb J., 24, 2010
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4MOT
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1URC
| Cyclin A binding groove inhibitor Ace-Arg-Lys-Leu-Phe-Gly | 分子名称: | CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, PEPTIDE INHIBITOR | 著者 | Kontopidis, G, Andrews, M, McInnes, C, Cowan, A, Powers, H, Innes, L, Plater, A, Griffiths, G, Paterson, D, Zheleva, D, Lane, D, Green, S, Walkinshaw, M, Fischer, P. | 登録日 | 2003-10-28 | 公開日 | 2003-10-31 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Design, synthesis, biological activity and structural analysis of cyclic peptide inhibitors targeting the substrate recruitment site of cyclin-dependent kinase complexes. Org. Biomol. Chem., 2, 2004
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3MB6
| Human CK2 catalytic domain in complex with a difurane derivative inhibitor (CPA) | 分子名称: | Casein kinase II subunit alpha, SULFATE ION, naphtho[2,1-b:7,6-b']difuran-2,8-dicarboxylic acid | 著者 | Reiser, J.-B, Prudent, R, Claude, C. | 登録日 | 2010-03-25 | 公開日 | 2010-05-05 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | New potent dual inhibitors of CK2 and Pim kinases: discovery and structural insights. Faseb J., 24, 2010
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7F3U
| Cryo-EM structure of human TMEM120A in the CoASH-free state | 分子名称: | Transmembrane protein 120A | 著者 | Rong, Y, Gao, Y.W, Song, D.F, Zhao, Y, Liu, Z.F. | 登録日 | 2021-06-17 | 公開日 | 2021-06-30 | 最終更新日 | 2024-06-12 | 実験手法 | ELECTRON MICROSCOPY (4 Å) | 主引用文献 | TMEM120A contains a specific coenzyme A-binding site and might not mediate poking- or stretch-induced channel activities in cells. Elife, 10, 2021
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7F3T
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4MA9
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4M49
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4JNK
| Lactate Dehydrogenase A in complex with inhibitor compound 22 | 分子名称: | (2R)-2-{[5-cyano-4-(3,4-dichlorophenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Eigenbrot, C, Ultsch, M. | 登録日 | 2013-03-15 | 公開日 | 2013-05-22 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.896 Å) | 主引用文献 | Identification of substituted 2-thio-6-oxo-1,6-dihydropyrimidines as inhibitors of human lactate dehydrogenase. Bioorg.Med.Chem.Lett., 23, 2013
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