3RU3
| Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima soaked with NADPH and ATP. | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, BETA-6-HYDROXY-1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE, MAGNESIUM ION, ... | 著者 | Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W. | 登録日 | 2011-05-04 | 公開日 | 2011-06-22 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.605 Å) | 主引用文献 | Identification of unknown protein function using metabolite cocktail screening. Structure, 20, 2012
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3E16
| X-ray structure of human prostasin in complex with Benzoxazole warhead peptidomimic, lysine in P3 | 分子名称: | DIMETHYL SULFOXIDE, GLYCEROL, Prostasin, ... | 著者 | Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A. | 登録日 | 2008-08-01 | 公開日 | 2008-09-09 | 最終更新日 | 2021-10-20 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Discovery of inhibitors of the channel-activating protease prostasin (CAP1/PRSS8) utilizing structure-based design. Bioorg.Med.Chem.Lett., 18, 2008
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3E0P
| The X-ray structure of Human Prostasin in complex with a covalent benzoxazole inhibitor | 分子名称: | GLYCEROL, Prostasin, benzyl [(1R)-1-({(2S,4R)-2-({(1S)-5-amino-1-[(S)-1,3-benzoxazol-2-yl(hydroxy)methyl]pentyl}carbamoyl)-4-[(4-methylbenzyl)oxy]pyrrolidin-1-yl}carbonyl)-3-phenylpropyl]carbamate | 著者 | Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A. | 登録日 | 2008-07-31 | 公開日 | 2008-09-09 | 最終更新日 | 2021-10-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Discovery of inhibitors of the channel-activating protease prostasin (CAP1/PRSS8) utilizing structure-based design. Bioorg.Med.Chem.Lett., 18, 2008
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2F1G
| Cathepsin S in complex with non-covalent 2-(Benzoxazol-2-ylamino)-acetamide | 分子名称: | Cathepsin S, GLYCEROL, N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-L-ALANINAMIDE | 著者 | Spraggon, G, Hornsby, M, Lesley, S.A, Tully, D.C, Harris, J.L, Karenewsky, D.S, Kulathila, R, Clark, K. | 登録日 | 2005-11-14 | 公開日 | 2006-04-04 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Synthesis and evaluation of arylaminoethyl amides as noncovalent inhibitors of cathepsin S. Part 3: Heterocyclic P3. Bioorg.Med.Chem.Lett., 16, 2006
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2HH5
| Crystal Structure of Cathepsin S in complex with a Zinc mediated non-covalent arylaminoethyl amide | 分子名称: | CHLORIDE ION, Cathepsin S, N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE, ... | 著者 | Spraggon, G, Hornsby, M, Lesley, S.A, Tully, D.C, Harris, J.L, Karenewsky, D.S. | 登録日 | 2006-06-27 | 公開日 | 2006-08-15 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Synthesis and SAR of arylaminoethyl amides as noncovalent inhibitors of cathepsin S: P3 cyclic ethers. Bioorg.Med.Chem.Lett., 16, 2006
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2HHN
| Cathepsin S in complex with non covalent arylaminoethyl amide. | 分子名称: | Cathepsin S, N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE, SULFATE ION | 著者 | Spraggon, G, Hornsby, M, Lesley, S.A, Tully, D.C, Harris, J.L, Karenewsky, D.S, Kulathila, R, Clark, K. | 登録日 | 2006-06-28 | 公開日 | 2007-05-08 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Synthesis and SAR of arylaminoethyl amides as noncovalent inhibitors of cathepsin S: P3 cyclic ethers Bioorg.Med.Chem.Lett., 16, 2006
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1SBO
| Solution Structure of putative anti sigma factor antagonist from Thermotoga maritima (TM1442) | 分子名称: | Putative anti-sigma factor antagonist TM1442 | 著者 | Etezady-Esfarjaini, T, Placzek, W.J, Herrmann, T, Lesley, S.A, Wuthrich, K, Joint Center for Structural Genomics (JCSG) | 登録日 | 2004-02-10 | 公開日 | 2004-12-21 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structures of the putative anti-sigma-factor antagonist TM1442 from Thermotoga maritima in the free and phosphorylated states. Magn.Reson.Chem., 44 Spec No, 2006
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