2HXZ
 
 | | Crystal Structure of Cathepsin S in complex with a Nonpeptidic Inhibitor (Hexagonal spacegroup) | | 分子名称: | Cathepsin S, N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE, SULFATE ION | | 著者 | Patterson, A.W, Wood, W.J, Hornsby, M, Lesley, S, Spraggon, G, Ellman, J.A. | | 登録日 | 2006-08-04 | | 公開日 | 2006-10-24 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Identification of selective, nonpeptidic nitrile inhibitors of cathepsin s using the substrate activity screening method.
J.Med.Chem., 49, 2006
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5MAJ
 | | CATHEPSIN L IN COMPLEX WITH 4-[cyclopentyl(imidazo[1,2-a]pyridin-2-ylmethyl)amino]-6-morpholino-1,3,5-triazine-2-carbonitrile | | 分子名称: | 1,2-ETHANEDIOL, Cathepsin L1, ~{N}-cyclopentyl-~{N}-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-(iminomethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine | | 著者 | Kuglstatter, A, Stihle, M, Benz, J. | | 登録日 | 2016-11-03 | | 公開日 | 2017-01-11 | | 最終更新日 | 2017-02-22 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Inhibition of the Cysteine Protease Human Cathepsin L by Triazine Nitriles: AmideHeteroarene pi-Stacking Interactions and Chalcogen Bonding in the S3 Pocket.
ChemMedChem, 12, 2017
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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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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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4KLB
 | | Crystal Structure of Cruzain in complex with the non-covalent inhibitor Nequimed176 | | 分子名称: | 2-{[(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino}thiophene-3-carboxamide, Cruzipain | | 著者 | Fernandes, W.B, Montanari, C.A, Mckerrow, J.H. | | 登録日 | 2013-05-07 | | 公開日 | 2013-09-18 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | | 主引用文献 | Non-peptidic Cruzain Inhibitors with Trypanocidal Activity Discovered by Virtual Screening and In Vitro Assay.
Plos Negl Trop Dis, 7, 2013
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5I4H
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6P4E
 | | Leishmania mexicana CPB in complex with an aza-nitrile inhibitor | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-tert-butyl-N-[(2S)-1-(2-cyano-1,2-dimethylhydrazinyl)-4-methyl-1-oxopentan-2-yl]-1-methyl-1H-pyrazole-5-carboxamide (non-preferred name), ... | | 著者 | Ribeiro, J.F.R, Li, C, De Vita, D, Emsley, J, Montanari, C.A. | | 登録日 | 2019-05-27 | | 公開日 | 2020-06-03 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | High Resolution X-Ray Crystal Structures of LmCPB2.8 Co-Crystalized with Dipeptidyl Aza-nitrile Inhibitor and Structure Activity Relationships
To Be Published
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6OKJ
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4I07
 | | Structure of mature form of cathepsin B1 from Schistosoma mansoni | | 分子名称: | ACETATE ION, CHLORIDE ION, Cathepsin B-like peptidase (C01 family) | | 著者 | Rezacova, P, Jilkova, A, Brynda, J, Horn, M, Mares, M. | | 登録日 | 2012-11-16 | | 公開日 | 2014-02-05 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Activation route of the Schistosoma mansoni cathepsin B1 drug target: structural map with a glycosaminoglycan switch
Structure, 22, 2014
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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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6TCX
 | | Papain bound to a natural cysteine protease inhibitor from Streptomyces mobaraensis | | 分子名称: | (2~{R})-2-[[(1~{S})-1-[(6~{S})-2-azanyl-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2~{S})-3-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Papain | | 著者 | Kraemer, A, Juettner, N.E, Fuchsbauer, H.-L, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2019-11-06 | | 公開日 | 2019-12-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Decoding the Papain Inhibitor from Streptomyces mobaraensis as Being Hydroxylated Chymostatin Derivatives: Purification, Structure Analysis, and Putative Biosynthetic Pathway.
J.Nat.Prod., 83, 2020
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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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4W5B
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6JW9
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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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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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6HGY
 | | CRYSTAL STRUCTURE OF CATHEPSIN K WITH N-DESMETHYL THALASSOSPIRAMIDE C | | 分子名称: | Cathepsin K, THALASSOSPIRAMIDE C | | 著者 | Zakarian, A, Buckman, B.O, Adler, M, Griessner, A, Blaesse, M. | | 登録日 | 2018-08-23 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Total Synthesis of Covalent Cysteine Protease Inhibitor N-Desmethyl Thalassospiramide C and Crystallographic Evidence for Its Mode of Action.
Org.Lett., 21, 2019
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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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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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6BKI
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6MIS
 | | Native ananain in complex with E-64 | | 分子名称: | Ananain, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE | | 著者 | Yongqing, T, Wilmann, P.G, Pike, R.N, Wijeyewickrema, L.C. | | 登録日 | 2018-09-20 | | 公開日 | 2018-10-03 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Determination of the crystal structure and substrate specificity of ananain.
Biochimie, 166, 2019
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6N3S
 | | Crystal structure of apo-cruzain | | 分子名称: | 1,2-ETHANEDIOL, Cruzipain, PHOSPHATE ION | | 著者 | Silva, E.B, Dall, E, Rodrigues, F.T.G, Ferreira, R.S, Brandstetter, H. | | 登録日 | 2018-11-16 | | 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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6H8T
 | | Crystal structure of Papain modify by achiral Ru(II)complex | | 分子名称: | ACETATE ION, CHLORIDE ION, Papain, ... | | 著者 | Cherrier, M.V, Amara, P, Talbi, B, Salmin, M, Fontecilla-Camps, J.C. | | 登録日 | 2018-08-03 | | 公開日 | 2018-09-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystallographic evidence for unexpected selective tyrosine hydroxylations in an aerated achiral Ru-papain conjugate.
Metallomics, 10, 2018
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5FPW
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6ASH
 | | Crystal structure of human Cathepsin K with a non-active site inhibitor at 1.42 Angstrom resolution | | 分子名称: | 2-{[(carbamoylsulfanyl)acetyl]amino}benzoic acid, Cathepsin K | | 著者 | Law, S, Aguda, A, Nguyen, N, Brayer, G, Bromme, D. | | 登録日 | 2017-08-24 | | 公開日 | 2018-08-29 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.423 Å) | | 主引用文献 | Crystal structure of human Cathepsin K with a non-active site inhibitor at 1.42 Angstrom resolution.
To Be Published
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