6ISL
 
 | | SnoaL-like cyclase XimE with its product xiamenmycin B | | 分子名称: | (2R,3S)-2-methyl-2-(4-methylpent-3-enyl)-3-oxidanyl-3,4-dihydrochromene-6-carboxylic acid, XimE, SnoaL-like domain protein | | 著者 | He, B, Zhou, T, Bu, X, Weng, J, Xu, J, Lin, S, Zheng, J, Zhao, Y, Xu, M. | | 登録日 | 2018-11-16 | | 公開日 | 2019-11-20 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Enzymatic Pyran Formation Involved in Xiamenmycin Biosynthesis
Acs Catalysis, 9, 2019
|
|
6ISK
 | | SnoaL-like cyclase XimE | | 分子名称: | 1,2-ETHANEDIOL, MALONIC ACID, XimE, ... | | 著者 | He, B, Zhou, T, Bu, X, Weng, J, Xu, J, Lin, S, Zheng, J, Zhao, Y, Xu, M. | | 登録日 | 2018-11-16 | | 公開日 | 2019-11-20 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Enzymatic Pyran Formation Involved in Xiamenmycin Biosynthesis
Acs Catalysis, 9, 2019
|
|
3QT0
 | | Revealing a steroid receptor ligand as a unique PPARgamma agonist | | 分子名称: | 11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE, Nuclear receptor coactivator 1 peptide, Peroxisome proliferator-activated receptor gamma | | 著者 | Rong, H. | | 登録日 | 2011-02-22 | | 公開日 | 2012-02-29 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.496 Å) | | 主引用文献 | Revealing a steroid receptor ligand as a unique PPAR gamma agonist.
Cell Res., 22, 2012
|
|
3NWW
 | | P38 Alpha kinase complexed with a 2-aminothiazol-5-yl-pyrimidine based inhibitor | | 分子名称: | 1-[2-(2-{[2-(dimethylamino)ethyl]amino}-6-{2-[(1-methylethyl)amino]-1,3-thiazol-5-yl}pyrimidin-4-yl)benzyl]-3-ethylurea, Mitogen-activated protein kinase 14 | | 著者 | Sack, J.S. | | 登録日 | 2010-07-12 | | 公開日 | 2010-09-08 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Utilization of a nitrogen-sulfur nonbonding interaction in the design of new 2-aminothiazol-5-yl-pyrimidines as p38alpha MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
|
|
2POI
 | | Crystal structure of XIAP BIR1 domain (I222 form) | | 分子名称: | Baculoviral IAP repeat-containing protein 4, ZINC ION | | 著者 | Lin, S. | | 登録日 | 2007-04-26 | | 公開日 | 2007-07-03 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | XIAP Induces NF-kappaB Activation via the BIR1/TAB1 Interaction and BIR1 Dimerization.
Mol.Cell, 26, 2007
|
|
7EEB
 | | Structure of the CatSpermasome | | 分子名称: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Wu, J.P, Ke, M. | | 登録日 | 2021-03-18 | | 公開日 | 2021-07-28 | | 最終更新日 | 2021-08-11 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Structure of a mammalian sperm cation channel complex.
Nature, 595, 2021
|
|
8CIQ
 | | JzTx-34 toxin peptide | | 分子名称: | Mu-theraphotoxin-Cg1a | | 著者 | Landon, C, Meudal, H. | | 登録日 | 2023-02-10 | | 公開日 | 2023-07-26 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure-function relationship of new peptides activating human Na v 1.1.
Biomed Pharmacother, 165, 2023
|
|
8CJR
 | |
8CJT
 | |
8CJP
 | |
8CJS
 | |
8CJQ
 | |
3BV2
 | | Morpholino pyrrolotriazine P38 Alpha map kinase inhibitor compound 30 | | 分子名称: | 5-methyl-4-[(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)amino]-N-(1-phenylethenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14 | | 著者 | Sack, J.S. | | 登録日 | 2008-01-04 | | 公開日 | 2008-04-08 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Synthesis and SAR of new pyrrolo[2,1-f][1,2,4]triazines as potent p38 alpha MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
|
|
3BV3
 | | Morpholino pyrrolotriazine P38 Alpha Map Kinase inhibitor compound 2 | | 分子名称: | 5-methyl-4-[(2-methyl-5-{[(3-morpholin-4-ylphenyl)carbonyl]amino}phenyl)amino]-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14 | | 著者 | Sack, J.S. | | 登録日 | 2008-01-04 | | 公開日 | 2008-04-15 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | Synthesis and SAR of new pyrrolo[2,1-f][1,2,4]triazines as potent p38 alpha MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
|
|
8WA8
 | | Human transketolase in complex with phosphite | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, PHOSPHITE ION, ... | | 著者 | Liu, Z, Tittmann, K, Dai, S. | | 登録日 | 2023-09-07 | | 公開日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Multifaceted Role of the Substrate Phosphate Group in Transketolase Catalysis
Acs Catalysis, 14, 2024
|
|
8WA7
 | | E.coli transketolase soaked with donor ketose D-fructose | | 分子名称: | 1,2-ETHANEDIOL, 2-[3-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-2-(1,2-DIHYDROXYETHYL)-4-METHYL-1,3-THIAZOL-3-IUM-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, GLYCEROL, ... | | 著者 | Liu, Z, Dai, S, Tittmann, K. | | 登録日 | 2023-09-07 | | 公開日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Multifaceted Role of the Substrate Phosphate Group in Transketolase Catalysis
Acs Catalysis, 14, 2024
|
|
8WA9
 | | Human transketolase soaked with donor ketose D-fructose | | 分子名称: | 1,2-ETHANEDIOL, 2-[3-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-2-(1,2-DIHYDROXYETHYL)-4-METHYL-1,3-THIAZOL-3-IUM-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, CALCIUM ION, ... | | 著者 | Liu, Z, Tittmann, K, Dai, S. | | 登録日 | 2023-09-07 | | 公開日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Multifaceted Role of the Substrate Phosphate Group in Transketolase Catalysis
Acs Catalysis, 14, 2024
|
|
8WAA
 | | Human transketolase soaked with donor ketose D-xylulose | | 分子名称: | 1,2-ETHANEDIOL, 2-[3-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-2-(1,2-DIHYDROXYETHYL)-4-METHYL-1,3-THIAZOL-3-IUM-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, CALCIUM ION, ... | | 著者 | Liu, Z, Dai, S, Tittmann, K. | | 登録日 | 2023-09-07 | | 公開日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Multifaceted Role of the Substrate Phosphate Group in Transketolase Catalysis
Acs Catalysis, 14, 2024
|
|
4N7L
 | |
7SUI
 | | Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 22 | | 分子名称: | (3R,4R)-4-{(3S,4S)-4-[6-chloro-2-({5-chloro-1-[(1R)-2,2-difluorocyclopropyl]-1H-pyrazol-4-yl}amino)quinazolin-7-yl]-3-fluoropiperidin-1-yl}oxolan-3-ol, Serine/threonine-protein kinase Chk1 | | 著者 | Palte, R.L. | | 登録日 | 2021-11-17 | | 公開日 | 2022-01-12 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.119 Å) | | 主引用文献 | Structure-Guided Discovery of Aminoquinazolines as Brain-Penetrant and Selective LRRK2 Inhibitors.
J.Med.Chem., 65, 2022
|
|
7SUF
 | | Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 06 | | 分子名称: | 1,2-ETHANEDIOL, 8-cyclopropyl-N-[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]quinazolin-2-amine, Serine/threonine-protein kinase Chk1 | | 著者 | Palte, R.L. | | 登録日 | 2021-11-17 | | 公開日 | 2022-01-12 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Structure-Guided Discovery of Aminoquinazolines as Brain-Penetrant and Selective LRRK2 Inhibitors.
J.Med.Chem., 65, 2022
|
|
7SUH
 | | Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 15 | | 分子名称: | 1-[5-chloro-4-({6-chloro-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-yl}amino)-1H-pyrazol-1-yl]-2-methylpropan-2-ol, Serine/threonine-protein kinase Chk1 | | 著者 | Palte, R.L. | | 登録日 | 2021-11-17 | | 公開日 | 2022-01-12 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | Structure-Guided Discovery of Aminoquinazolines as Brain-Penetrant and Selective LRRK2 Inhibitors.
J.Med.Chem., 65, 2022
|
|
7SUJ
 | | Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 24 | | 分子名称: | (3R,4R)-4-{4-[6-chloro-2-({1-[(1R)-2,2-difluorocyclopropyl]-5-methyl-1H-pyrazol-4-yl}amino)quinazolin-7-yl]piperidin-1-yl}-4-methyloxolan-3-ol, Serine/threonine-protein kinase Chk1 | | 著者 | Palte, R.L. | | 登録日 | 2021-11-17 | | 公開日 | 2022-01-12 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.299 Å) | | 主引用文献 | Structure-Guided Discovery of Aminoquinazolines as Brain-Penetrant and Selective LRRK2 Inhibitors.
J.Med.Chem., 65, 2022
|
|
7SUG
 | | Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 09 | | 分子名称: | 1,2-ETHANEDIOL, 1-(2-{[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]amino}quinazolin-8-yl)cyclopropane-1-carbonitrile, Serine/threonine-protein kinase Chk1 | | 著者 | Palte, R.L. | | 登録日 | 2021-11-17 | | 公開日 | 2022-01-12 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Structure-Guided Discovery of Aminoquinazolines as Brain-Penetrant and Selective LRRK2 Inhibitors.
J.Med.Chem., 65, 2022
|
|
4FGY
 | | Identification of a unique PPAR ligand with an unexpected binding mode and antibetic activity | | 分子名称: | (4R,6S,8S,12R,14R,16Z,18R,19R,20S,21S)-19,21-dihydroxy-22-{(2S,2'R,5S,5'S)-5'-[(1R)-1-hydroxyethyl]-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl}-4,6,8,12,14,18,20-heptamethyl-9,11-dioxodocos-16-enoic acid, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma | | 著者 | Wang, R, Li, Y. | | 登録日 | 2012-06-05 | | 公開日 | 2013-03-20 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | | 主引用文献 | Identification of the antibiotic ionomycin as an unexpected peroxisome proliferator-activated receptor Gamma (PPAR-gamma) ligand with a unique binding mode and effective glucose-lowering activity in a mouse model of diabetes.
Diabetologia, 56, 2013
|
|
