7JUJ
| Cruzain bound to Gallinamide inhibitor | 分子名称: | Cruzipain, POTASSIUM ION, gallinamide A, ... | 著者 | Silva, E.B, Sharma, V, Alvarez, L.H, Gerwick, W.H, McKerrow, J.H, Podust, L.M. | 登録日 | 2020-08-19 | 公開日 | 2021-08-25 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Intramolecular Interactions Enhance the Potency of Gallinamide A Analogues against Trypanosoma cruzi . J.Med.Chem., 65, 2022
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7S18
| Crystal structure of cruzain with gallinamide analog from 2-biaryl series | 分子名称: | Cruzipain, N,N-dimethyl-L-valyl-L-leucyl-N-[(3S)-6-{(2S)-2-[([1,1'-biphenyl]-4-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-6-oxo-1-phenylhexan-3-yl]-L-leucinamide | 著者 | Sharma, V, Podust, L.M. | 登録日 | 2021-09-01 | 公開日 | 2022-03-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Intramolecular Interactions Enhance the Potency of Gallinamide A Analogues against Trypanosoma cruzi . J.Med.Chem., 65, 2022
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7S19
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7NXL
| Structure of human cathepsin K in complex with the acrylamide inhibitor Gu3110 | 分子名称: | Cathepsin K, SULFATE ION, tert-butyl (1-((4-(dibenzylamino)-4-oxobutyl)amino)-4-methyl-1-oxopentan-2-yl)carbamate | 著者 | Busa, M, Benysek, J, Lemke, C, Gutschow, M, Mares, M. | 登録日 | 2021-03-18 | 公開日 | 2021-09-08 | 最終更新日 | 2021-10-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | An Activity-Based Probe for Cathepsin K Imaging with Excellent Potency and Selectivity. J.Med.Chem., 64, 2021
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7NXM
| Structure of human cathepsin K in complex with the selective activity-based probe Gu3416 | 分子名称: | Cathepsin K, N-(4-(dibenzylamino)-4-oxobutyl)-2-(5-(dimethylamino)pentanamido)-4-methylpentanamide, SULFATE ION | 著者 | Busa, M, Benysek, J, Lemke, C, Gutschow, M, Mares, M. | 登録日 | 2021-03-18 | 公開日 | 2021-09-08 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | An Activity-Based Probe for Cathepsin K Imaging with Excellent Potency and Selectivity. J.Med.Chem., 64, 2021
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9PAP
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8QKB
| Crystal structure of human cathepsin L in complex with the vinyl sulfone inhibitor K777 | 分子名称: | 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | 著者 | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | 登録日 | 2023-09-14 | 公開日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Crystal structure of human cathepsin L in complex with the vinyl sulfone inhibitor K777 To Be Published
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8UAC
| CATHEPSIN L IN COMPLEX WITH AC1115 | 分子名称: | Cathepsin L, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide | 著者 | Chao, A, DuPrez, K.T, Han, F.Q. | 登録日 | 2023-09-20 | 公開日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | CATHEPSIN L IN COMPLEX WITH AC1115 To be Published
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3U8E
| Crystal Structure of Cysteine Protease from Bulbs of Crocus sativus at 1.3 A Resolution | 分子名称: | GLYCEROL, Papain-like Cysteine Protease, SODIUM ION, ... | 著者 | Iqbal, S, Akrem, A, Buck, F, Perbandt, M, Banumathi, S, Betzel, C. | 登録日 | 2011-10-17 | 公開日 | 2011-10-26 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | Crystal Structure of A Papain-like Cysteine Protease from Bulbs of Crocus sativum at 1.3 A resolution To be Published
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6UX6
| Cruzain covalently bound by a vinylsulfone compound | 分子名称: | Cruzipain, GLYCEROL, Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-1-phenyl-4-(phenylsulfonyl)butan-2-yl]-L-phenylalaninamide | 著者 | Zhai, X, Tang, S, Chenna, B.C, Meek, T.D, Sacchettini, J.C. | 登録日 | 2019-11-06 | 公開日 | 2020-11-25 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Cruzain covalently bound by a vinylsulfone compound To Be Published
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5F02
| CATHEPSIN L IN COMPLEX WITH (2S,4R)-4-(2-Chloro-4-methoxy-benzenesulfonyl)-1-[3-(5-chloro-pyridin-2-yl)-azetidine-3-carbonyl]-pyrrolidine-2-carboxylic acid (1-cyano-cyclopropyl)-amide | 分子名称: | (2~{S},4~{R})-4-[(2-chloranyl-4-methoxy-phenyl)-bis(oxidanyl)-$l^{4}-sulfanyl]-1-[3-(5-chloranylpyridin-2-yl)azetidin-3-yl]carbonyl-~{N}-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide, Cathepsin L1, GLYCEROL | 著者 | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | 登録日 | 2015-11-27 | 公開日 | 2016-02-24 | 最終更新日 | 2016-05-25 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | A Real-World Perspective on Molecular Design. J.Med.Chem., 59, 2016
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5FPW
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6X44
| High Resolution Crystal Structure Analysis of SERA5 proenzyme from plasmodium falciparum | 分子名称: | DI(HYDROXYETHYL)ETHER, Serine repeat antigen 5 | 著者 | Clarke, O.B, Smith, N.A, Lee, M, Smith, B.J. | 登録日 | 2020-05-22 | 公開日 | 2020-10-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.19733953 Å) | 主引用文献 | Structure of the Plasmodium falciparum PfSERA5 pseudo-zymogen. Protein Sci., 29, 2020
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6X42
| High Resolution Crystal Structure Analysis of SERA5E from plasmodium falciparum | 分子名称: | 1,2-ETHANEDIOL, 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, CALCIUM ION, ... | 著者 | Clarke, O.B, Smith, N.A, Lee, M, Smith, B.J. | 登録日 | 2020-05-21 | 公開日 | 2020-10-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Structure of the Plasmodium falciparum PfSERA5 pseudo-zymogen. Protein Sci., 29, 2020
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4W5C
| Crystal structure analysis of cruzain with three Fragments: 1 (N-(1H-benzimidazol-2-yl)-1,3-dimethyl-pyrazole-4-carboxamide), 6 (2-amino-4,6-difluorobenzothiazole) and 9 (N-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)-1H-pyrazole-4-carboxamide). | 分子名称: | 4,6-difluoro-1,3-benzothiazol-2-amine, Cruzipain, N-(1H-benzimidazol-2-yl)-1,3-dimethyl-1H-pyrazole-4-carboxamide, ... | 著者 | Tochowicz, A, McKerrow, J.H, Craik, C.S. | 登録日 | 2014-08-17 | 公開日 | 2015-04-08 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.27 Å) | 主引用文献 | Applying Fragments Based- Drug Design to identify multiple binding modes on cysteine protease. To Be Published
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4W5B
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4X6H
| Development of N-(Functionalized benzoyl)-homocycloleucyl-glycinonitriles as Potent Cathepsin K Inhibitors. | 分子名称: | 4-amino-3-fluoro-N-(1-{[(2Z)-2-iminoethyl]carbamoyl}cyclohexyl)benzamide, 4-amino-N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-3-fluorobenzamide, Cathepsin K, ... | 著者 | Borisek, J, Mohar, B, Vizovisek, M, Sosnowski, P, Turk, D, Turk, B, Novic, M. | 登録日 | 2014-12-08 | 公開日 | 2015-09-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Development of N-(Functionalized benzoyl)-homocycloleucyl-glycinonitriles as Potent Cathepsin K Inhibitors. J.Med.Chem., 58, 2015
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5I4H
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6O2X
| Structure of cruzain bound to MMTS inhibitor | 分子名称: | 1,2-ETHANEDIOL, Cruzipain, PHOSPHATE ION | 著者 | Silva, E.B, Dall, E, Ferreira, R.S, Brandstetter, H. | 登録日 | 2019-02-25 | 公開日 | 2019-05-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.193 Å) | 主引用文献 | Cruzain structures: apocruzain and cruzain bound to S-methyl thiomethanesulfonate and implications for drug design. Acta Crystallogr.,Sect.F, 75, 2019
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4X6J
| Development of N-(Functionalized benzoyl)-homocycloleucyl-glycinonitriles as Potent Cathepsin K Inhibitors. | 分子名称: | 2-amino-4-chloro-N-(1-{[(2E)-2-iminoethyl]carbamoyl}cyclohexyl)benzamide, CHLORIDE ION, Cathepsin K, ... | 著者 | Borisek, J, Mohar, B, Vizovisek, M, Sosnowski, P, Turk, D, Turk, B, Novic, M. | 登録日 | 2014-12-08 | 公開日 | 2015-09-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Development of N-(Functionalized benzoyl)-homocycloleucyl-glycinonitriles as Potent Cathepsin K Inhibitors. J.Med.Chem., 58, 2015
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4X6I
| Development of N-(Functionalized benzoyl)-homocycloleucyl-glycinonitriles as Potent Cathepsin K Inhibitors. | 分子名称: | 2-amino-4-bromo-N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}benzamide, Cathepsin K, SULFATE ION | 著者 | Borisek, J, Mohar, B, Vizovisek, M, Sosnowski, P, Turk, D, Turk, B, Novic, M. | 登録日 | 2014-12-08 | 公開日 | 2015-09-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Development of N-(Functionalized benzoyl)-homocycloleucyl-glycinonitriles as Potent Cathepsin K Inhibitors. J.Med.Chem., 58, 2015
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6OKJ
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5J94
| Human cathepsin K mutant C25S in complex with the allosteric effector NSC13345 | 分子名称: | 2-{[(carbamoylsulfanyl)acetyl]amino}benzoic acid, Cathepsin K, SULFATE ION | 著者 | Novinec, M, Korenc, M, Lenarcic, B, Baici, A. | 登録日 | 2016-04-08 | 公開日 | 2016-04-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.22002459 Å) | 主引用文献 | A novel allosteric mechanism in the cysteine peptidase cathepsin K discovered by computational methods. Nat Commun, 5, 2014
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5JH3
| Human cathepsin K mutant C25S | 分子名称: | ACETATE ION, CHLORIDE ION, Cathepsin K, ... | 著者 | Novinec, M, Korenc, M, Lenarcic, B. | 登録日 | 2016-04-20 | 公開日 | 2016-11-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | An allosteric site enables fine-tuning of cathepsin K by diverse effectors. FEBS Lett., 590, 2016
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4HWY
| Trypanosoma brucei procathepsin B solved from 40 fs free-electron laser pulse data by serial femtosecond X-ray crystallography | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cysteine peptidase C (CPC), beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Redecke, L, Nass, K, DePonte, D.P, White, T.A, Rehders, D, Barty, A, Stellato, F, Liang, M, Barends, T.R.M, Boutet, S, Williams, G.W, Messerschmidt, M, Seibert, M.M, Aquila, A, Arnlund, D, Bajt, S, Barth, T, Bogan, M.J, Caleman, C, Chao, T.-C, Doak, R.B, Fleckenstein, H, Frank, M, Fromme, R, Galli, L, Grotjohann, I, Hunter, M.S, Johansson, L.C, Kassemeyer, S, Katona, G, Kirian, R.A, Koopmann, R, Kupitz, C, Lomb, L, Martin, A.V, Mogk, S, Neutze, R, Shoemann, R.L, Steinbrener, J, Timneanu, N, Wang, D, Weierstall, U, Zatsepin, N.A, Spence, J.C.H, Fromme, P, Schlichting, I, Duszenko, M, Betzel, C, Chapman, H. | 登録日 | 2012-11-09 | 公開日 | 2012-12-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Natively inhibited Trypanosoma brucei cathepsin B structure determined by using an X-ray laser. Science, 339, 2013
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