4UNP
 
 | | Mtb TMK in complex with compound 34 | | 分子名称: | 5-methyl-7-propyl-1,6-naphthyridin-2(1H)-one, THYMIDYLATE KINASE | | 著者 | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | | 登録日 | 2014-05-30 | | 公開日 | 2015-01-14 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
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4UNS
 | | Mtb TMK in complex with compound 40 | | 分子名称: | N-[4-(3-CYANO-7-ETHYL-5-METHYL-2-OXO-1H-1,6-NAPHTHYRIDIN-4-YL)PHENYL]METHANESULFONAMIDE, SODIUM ION, THYMIDYLATE KINASE | | 著者 | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | | 登録日 | 2014-05-30 | | 公開日 | 2015-06-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
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7ZLW
 | | NME1 in complex with ADP | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Nucleoside diphosphate kinase A | | 著者 | Garcia-Saez, I, Iuso, D, Khochbin, S, Petosa, C. | | 登録日 | 2022-04-15 | | 公開日 | 2023-08-09 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Nucleoside diphosphate kinases 1 and 2 regulate a protective liver response to a high-fat diet.
Sci Adv, 9, 2023
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7ZL8
 | | NME1 in complex with succinyl-CoA | | 分子名称: | Nucleoside diphosphate kinase A, SUCCINYL-COENZYME A | | 著者 | Garcia-Saez, I, Iuso, D, Khochbin, S, Petosa, C. | | 登録日 | 2022-04-14 | | 公開日 | 2023-08-09 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Nucleoside diphosphate kinases 1 and 2 regulate a protective liver response to a high-fat diet.
Sci Adv, 9, 2023
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6UKA
 | | Crystal structure of RHOG and ELMO complex | | 分子名称: | Engulfment and cell motility protein 2, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | 著者 | Jo, C.H, Killoran, R.C, Smith, M.J. | | 登録日 | 2019-10-04 | | 公開日 | 2020-08-12 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure of the DOCK2-ELMO1 complex provides insights into regulation of the auto-inhibited state.
Nat Commun, 11, 2020
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7ZTK
 | | NME1 in complex with CoA | | 分子名称: | COENZYME A, Nucleoside diphosphate kinase A | | 著者 | Garcia-Saez, I, Iuso, D, Khochbin, S, Petosa, C. | | 登録日 | 2022-05-10 | | 公開日 | 2023-08-09 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Nucleoside diphosphate kinases 1 and 2 regulate a protective liver response to a high-fat diet.
Sci Adv, 9, 2023
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5WYE
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6UEP
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6UEO
 | | Structure of A. thaliana TBP-AC mismatch DNA site | | 分子名称: | DNA (5'-D(*GP*CP*TP*AP*TP*AP*AP*AP*AP*GP*GP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*CP*CP*CP*TP*TP*TP*AP*TP*AP*GP*C)-3'), TATA-box-binding protein 1 | | 著者 | Schumacher, M.A. | | 登録日 | 2019-09-22 | | 公開日 | 2020-09-02 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | DNA mismatches reveal conformational penalties in protein-DNA recognition.
Nature, 587, 2020
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5Z31
 | | LPS bound solution structure of WS2-KG18 | | 分子名称: | LYS-ASN-LYS-SER-ARG-VAL-ALA-ARG-GLY-TRP-GLY-ARG-LYS-CYS-PRO-LEU-PHE-GLY | | 著者 | Bhunia, A, Mohid, S.A. | | 登録日 | 2018-01-05 | | 公開日 | 2019-02-06 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Application of tungsten disulfide quantum dot-conjugated antimicrobial peptides in bio-imaging and antimicrobial therapy.
Colloids Surf B Biointerfaces, 176, 2019
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5Z32
 | | LPS bound solution NMR structure of WS2-VR18 | | 分子名称: | VAL-ALA-ARG-GLY-TRP-GLY-ARG-LYS-CYS-PRO-LEU-PHE-GLY-LYS-ASN-LYS-SER-ARG | | 著者 | Bhunia, A, Mohid, S.A. | | 登録日 | 2018-01-05 | | 公開日 | 2019-02-06 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Application of tungsten disulfide quantum dot-conjugated antimicrobial peptides in bio-imaging and antimicrobial therapy.
Colloids Surf B Biointerfaces, 176, 2019
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6UER
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6UEQ
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7Q0O
 | | E. coli NfsA | | 分子名称: | FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NADPH nitroreductase | | 著者 | White, S.A, Grainger, A, Parr, R, Day, M.A, Jarrom, D, Graziano, A, Searle, P.F, Hyde, E.I. | | 登録日 | 2021-10-15 | | 公開日 | 2022-06-22 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (0.96 Å) | | 主引用文献 | The 3D-structure, kinetics and dynamics of the E. coli nitroreductase NfsA with NADP + provide glimpses of its catalytic mechanism.
Febs Lett., 596, 2022
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6XJ5
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4HVI
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4HVG
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4HVH
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4HVD
 | | JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-1,2,2-trimethyl-propyl)-amide | | 分子名称: | 1-phenylurea, 2-cyclopropyl-N-[(2S)-3,3-dimethylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3 | | 著者 | Kuglstatter, A, Shao, A. | | 登録日 | 2012-11-06 | | 公開日 | 2013-01-16 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | 3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models.
J.Med.Chem., 56, 2013
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5X02
 | | Crystal structure of the FLT3 kinase domain bound to the inhibitor FF-10101 | | 分子名称: | N-[(2S)-1-[5-[2-[(4-cyanophenyl)amino]-4-(propylamino)pyrimidin-5-yl]pent-4-ynylamino]-1-oxidanylidene-propan-2-yl]-4-(dimethylamino)-N-methyl-but-2-enamide, Receptor-type tyrosine-protein kinase FLT3, SULFATE ION | | 著者 | Fujikawa, N, Hirano, D, Takasaki, M, Terada, D, Hagiwara, S, Park, S.-Y, Sugiyama, K. | | 登録日 | 2017-01-19 | | 公開日 | 2018-01-24 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.401 Å) | | 主引用文献 | A novel irreversible FLT3 inhibitor, FF-10101, shows excellent efficacy against AML cells withFLT3mutations.
Blood, 131, 2018
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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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4MQ2
 | | The crystal structure of DYRK1a with a bound pyrido[2,3-d]pyrimidine inhibitor | | 分子名称: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, PENTAETHYLENE GLYCOL, SULFATE ION, ... | | 著者 | Lukacs, C.M, Janson, C.A, Garvie, C, Liang, L. | | 登録日 | 2013-09-15 | | 公開日 | 2013-12-11 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Pyrido[2,3-d]pyrimidines: Discovery and preliminary SAR of a novel series of DYRK1B and DYRK1A inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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4MQ1
 | | The crystal structure of DYRK1a with a bound pyrido[2,3-d]pyrimidine inhibitor | | 分子名称: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, N-(5-{[(1R)-3-amino-1-(3-chlorophenyl)propyl]carbamoyl}-2-chlorophenyl)-2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide, PENTAETHYLENE GLYCOL, ... | | 著者 | Lukacs, C.M, Janson, C.A, Garvie, C, Liang, L. | | 登録日 | 2013-09-15 | | 公開日 | 2013-12-11 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Pyrido[2,3-d]pyrimidines: Discovery and preliminary SAR of a novel series of DYRK1B and DYRK1A inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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4FZ7
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