7KQJ
| CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692) IN COMPLEX WITH A NOVEL TRICYCLIC-CARBOCYLIC RORGT INVERSE AGONIST | 分子名称: | N-[(3R,3aS,9bS)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]-2-hydroxy-2-methylpropanamide, Nuclear receptor ROR-gamma | 著者 | Sack, J.S. | 登録日 | 2020-11-16 | 公開日 | 2021-02-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.645 Å) | 主引用文献 | Tricyclic-Carbocyclic ROR gamma t Inverse Agonists-Discovery of BMS-986313. J.Med.Chem., 64, 2021
|
|
2ZDY
| Inhibitor-bound structures of human pyruvate dehydrogenase kinase 4 | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Kawamoto, M, Shiromizu, I, Kukimoto-Niino, M, Tokmakov, A, Terada, T, Shirouzu, M, Matsusue, T, Yokoyama, S. | 登録日 | 2007-12-01 | 公開日 | 2008-12-09 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Inhibitor-bound structures of human pyruvate dehydrogenase kinase 4. Acta Crystallogr.,Sect.D, 67, 2011
|
|
5AYG
| Crystal Structure of the Human ROR gamma Ligand Binding Domain With 3g | 分子名称: | 3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-yl-propanamide, Nuclear receptor ROR-gamma | 著者 | Noguchi, M, Doi, S, Nomura, A, Kikuwaka, M, Murase, K, Hirata, K, Kamada, M, Adachi, T. | 登録日 | 2015-08-20 | 公開日 | 2016-03-02 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | SAR Exploration Guided by LE and Fsp(3): Discovery of a Selective and Orally Efficacious ROR gamma Inhibitor Acs Med.Chem.Lett., 7, 2016
|
|
3MMY
| |
2BFQ
| MACRO DOMAINS ARE ADP-RIBOSE BINDING MOLECULES | 分子名称: | HYPOTHETICAL PROTEIN AF1521, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | 著者 | Karras, G.I, Buhecha, H.R, Allen, M.D, Pugieux, C, Sait, F, Bycroft, M, Ladurner, A.G. | 登録日 | 2004-12-10 | 公開日 | 2005-01-18 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | The Macro Domain is an Adp-Ribose Binding Module. Embo J., 24, 2005
|
|
2ZG2
| |
4KP5
| Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with 2-Chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide | 分子名称: | 1,2-ETHANEDIOL, 2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide, Carbonic anhydrase 12, ... | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2013-05-13 | 公開日 | 2013-11-06 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII Bioorg.Med.Chem., 21, 2013
|
|
3MP1
| Complex structure of Sgf29 and trimethylated H3K4 | 分子名称: | ACETATE ION, H3K4me3 peptide, Maltose-binding periplasmic protein,LINKER,SAGA-associated factor 29, ... | 著者 | Li, J, Ruan, J, Wu, M, Xue, X, Zang, J. | 登録日 | 2010-04-24 | 公開日 | 2011-05-04 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation Embo J., 30, 2011
|
|
5HN7
| |
4KPN
| Plant nucleoside hydrolase - PpNRh1 enzyme | 分子名称: | CALCIUM ION, Nucleoside N-ribohydrolase 1 | 著者 | Morera, S, Vigouroux, A, Kopecny, D. | 登録日 | 2013-05-14 | 公開日 | 2013-11-27 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3.35 Å) | 主引用文献 | Structure and Function of Nucleoside Hydrolases from Physcomitrella patens and Maize Catalyzing the Hydrolysis of Purine, Pyrimidine, and Cytokinin Ribosides. Plant Physiol., 163, 2013
|
|
2ZHB
| Complex structure of AFCCA with tRNAminiDUC | 分子名称: | CCA-adding enzyme, SULFATE ION, tRNA (34-MER) | 著者 | Toh, Y, Tomita, K. | 登録日 | 2008-02-01 | 公開日 | 2008-08-05 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Molecular basis for maintenance of fidelity during the CCA-adding reaction by a CCA-adding enzyme Embo J., 27, 2008
|
|
7BDO
| MAPK14 bound with SR302 | 分子名称: | Mitogen-activated protein kinase 14, ~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{S})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide | 著者 | Schroeder, M, Roehm, S, Joerger, A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-12-22 | 公開日 | 2021-03-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe. J.Med.Chem., 64, 2021
|
|
7BDQ
| MAPK14 bound with SR300 | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 14, ... | 著者 | Schroeder, M, Roehm, S, Joerger, A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-12-22 | 公開日 | 2021-03-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe. J.Med.Chem., 64, 2021
|
|
1PDW
| |
4KCW
| Pyruvate kinase (PYK) from Trypanosoma brucei soaked with oxalate | 分子名称: | 2,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, MAGNESIUM ION, ... | 著者 | Zhong, W, Morgan, H.P, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | 登録日 | 2013-04-24 | 公開日 | 2014-01-08 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Pyruvate kinases have an intrinsic and conserved decarboxylase activity. Biochem.J., 458, 2014
|
|
1PDV
| |
7BE4
| Crystal structure of MAP kinase p38 alpha in complex with inhibitor SR159 | 分子名称: | 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{R})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | 著者 | Joerger, A.C, Schroeder, M, Roehm, S, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-12-22 | 公開日 | 2021-03-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe. J.Med.Chem., 64, 2021
|
|
7BE5
| Crystal structure of MAP kinase p38 alpha in complex with inhibitor SR276 | 分子名称: | 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{R})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-methyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | 著者 | Joerger, A.C, Schroeder, M, Roehm, S, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-12-22 | 公開日 | 2021-03-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8000524 Å) | 主引用文献 | Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe. J.Med.Chem., 64, 2021
|
|
2BR1
| Structure-based Design of Novel Chk1 Inhibitors: Insights into Hydrogen Bonding and Protein-Ligand Affinity | 分子名称: | 2-[5,6-BIS-(4-METHOXY-PHENYL)-FURO[2,3-D]PYRIMIDIN-4-YLAMINO]-ETHANOL, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION | 著者 | Foloppe, N, Fisher, L.M, Howes, R, Kierstan, P, Potter, A, Robertson, A.G.S, Surgenor, A.E. | 登録日 | 2005-04-29 | 公開日 | 2005-05-12 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-Based Design of Novel Chk1 Inhibitors: Insights Into Hydrogen Bonding and Protein-Ligand Affinity. J.Med.Chem., 48, 2005
|
|
1SLH
| Mycobacterium tuberculosis dUTPase complexed with magnesium and dUDP | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DEOXYURIDINE-5'-DIPHOSPHATE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ... | 著者 | Sawaya, M.R, Chan, S, Segelke, B, Lekin, T, Krupka, H, Cho, U.S, Kim, M.-Y, So, M, Kim, C.-Y, Naranjo, C.M, Rogers, Y.C, Park, M.S, Waldo, G.S, Pashkov, I, Cascio, D, Yeates, T.O, Perry, J.L, Terwilliger, T.C, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | 登録日 | 2004-03-05 | 公開日 | 2004-03-16 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Crystal structure of the Mycobacterium tuberculosis dUTPase: insights into the catalytic mechanism. J.Mol.Biol., 341, 2004
|
|
3M4D
| |
1ZKG
| |
4KM0
| Crystal structure of dihydrofolate reductase from Mycobacterium tuberculosis in complex with pyrimethamine | 分子名称: | 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, Dihydrofolate reductase | 著者 | Dias, M.V.B, Tyrakis, P, Blundell, T.L. | 登録日 | 2013-05-07 | 公開日 | 2013-12-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Mycobacterium tuberculosis Dihydrofolate Reductase Reveals Two Conformational States and a Possible Low Affinity Mechanism to Antifolate Drugs. Structure, 22, 2014
|
|
2ZU0
| |
3M7N
| |