Loading
PDBj
メニューPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

1MS6
DownloadVisualize
BU of 1ms6 by Molmil
Dipeptide Nitrile Inhibitor Bound to Cathepsin S.
分子名称: Cathepsin S, MORPHOLINE-4-CARBOXYLIC ACID [1S-(2-BENZYLOXY-1R-CYANO-ETHYLCARBAMOYL)-3-METHYL-BUTYL]AMIDE
著者Ward, Y.D, Thomson, D.S, Frye, L.L, Cywin, C.L, Morwick, T, Emmanuel, M.J, Zindell, R, McNeil, D, Bekkali, Y, Giradot, M, Hrapchak, M, DeTuri, M, Crane, K, White, D, Pav, S, Wang, Y, Hao, M.H, Grygon, C.A, Labadia, M.E, Freeman, D.M, Davidson, W, Hopkins, J.L, Brown, M.L, Spero, D.M.
登録日2002-09-19
公開日2003-04-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design and synthesis of dipeptide nitriles as reversible and potent Cathepsin S inhibitors
J.Med.Chem., 45, 2002
6UX6
DownloadVisualize
BU of 6ux6 by Molmil
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
6MIS
DownloadVisualize
BU of 6mis by Molmil
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
6N3S
DownloadVisualize
BU of 6n3s by Molmil
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
1GEC
DownloadVisualize
BU of 1gec by Molmil
GLYCYL ENDOPEPTIDASE-COMPLEX WITH BENZYLOXYCARBONYL-LEUCINE-VALINE-GLYCINE-METHYLENE COVALENTLY BOUND TO CYSTEINE 25
分子名称: BENZYLOXYCARBONYL-LEUCINE-VALINE-GLYCINE-METHYLENE INHIBITOR, GLYCYL ENDOPEPTIDASE
著者Ohara, B.P, Hemmings, A.M, Buttle, D.J, Pearl, L.H.
登録日1995-05-25
公開日1995-12-07
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of glycyl endopeptidase from Carica papaya: a cysteine endopeptidase of unusual substrate specificity.
Biochemistry, 34, 1995
1GMY
DownloadVisualize
BU of 1gmy by Molmil
Cathepsin B complexed with dipeptidyl nitrile inhibitor
分子名称: 2-AMINOETHANIMIDIC ACID, 3-METHYLPHENYLALANINE, CATHEPSIN B, ...
著者Greenspan, P.D, Clark, K.L, Tommasi, R.A, Cowen, S.D, McQuire, L.W, Farley, D.L, van Duzer, J.H, Goldberg, R.L, Zhou, H, Du, Z, Fitt, J.J, Coppa, D.E, Fang, Z, Macchia, W, Zhu, L, Capparelli, M.P, Goldstein, R, Wigg, A.M, Doughty, J.R, Bohacek, R.S, Knap, A.K.
登録日2001-09-25
公開日2002-09-19
最終更新日2017-07-05
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of Dipeptidyl Nitriles as Potent and Selective Inhibitors of Cathepsin B Through Structure-Based Drug Design
J.Med.Chem., 44, 2001
1GLO
DownloadVisualize
BU of 1glo by Molmil
Crystal Structure of Cys25Ser mutant of human cathepsin S
分子名称: CATHEPSIN S
著者Turkenburg, J.P, Lamers, M.B.A.C, Brzozowski, A.M, Wright, L.M, Hubbard, R.E, Sturt, S.L, Williams, D.H.
登録日2001-08-31
公開日2002-08-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of a Cys25->Ser Mutant of Human Cathepsin Cathepsin S
Acta Crystallogr.,Sect.D, 58, 2002
5I4H
DownloadVisualize
BU of 5i4h by Molmil
Caught in the Act: The Crystal Structure of cleaved Cathepsin L bound to the active site of Cathepsin L
分子名称: Cathepsin L1, GLYCEROL, SULFATE ION
著者Sosnowski, P, Turk, D.
登録日2016-02-12
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Caught in the act: the crystal structure of cleaved cathepsin L bound to the active site of Cathepsin L.
Febs Lett., 590, 2016
6O2X
DownloadVisualize
BU of 6o2x by Molmil
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
6X44
DownloadVisualize
BU of 6x44 by Molmil
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
6X42
DownloadVisualize
BU of 6x42 by Molmil
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
8CC2
DownloadVisualize
BU of 8cc2 by Molmil
Cathepsin B1 from Schistosoma mansoni in complex with gallinamide A
分子名称: Cathepsin B-like peptidase (C01 family), SODIUM ION, gallinamide A, ...
著者Rubesova, P, Brynda, J, Mares, M, Gerwick, W.H.
登録日2023-01-26
公開日2024-02-07
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Cathepsin B1 from Schistosoma mansoni in complex with gallinamide A
To Be Published
8CCU
DownloadVisualize
BU of 8ccu by Molmil
Cathepsin B1 from Schistosoma mansoni in complex with gallinamide analog 1
分子名称: Cathepsin B-like peptidase (C01 family), SODIUM ION, [(2~{S})-1-[[(2~{S})-1-[[(2~{S})-5-[(2~{S})-3-methoxy-2-(2-methylpropyl)-5-oxidanylidene-2~{H}-pyrrol-1-yl]-5-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] (2~{S},3~{S})-2-(dimethylamino)-3-methyl-pentanoate
著者Rubesova, P, Brynda, J, Gerwick, W.H, Mares, M.
登録日2023-01-27
公開日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Cathepsin B1 from Schistosoma mansoni in complex with gallinamide analog 1
To Be Published
5J94
DownloadVisualize
BU of 5j94 by Molmil
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
5JH3
DownloadVisualize
BU of 5jh3 by Molmil
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
5F02
DownloadVisualize
BU of 5f02 by Molmil
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
8B4T
DownloadVisualize
BU of 8b4t by Molmil
Human cathepsin B in complex with the carbamate inhibitor 7
分子名称: (2S)-2-[[(2S)-2-[(4-chloranylphenoxy)carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoic acid, Cathepsin B
著者Rubesova, P, Guetschow, M, Mares, M.
登録日2022-09-21
公開日2023-10-04
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Human cathepsin B in complex with the carbamate inhibitor 7
To Be Published
8B5F
DownloadVisualize
BU of 8b5f by Molmil
Human cathepsin B in complex with the carbamate inhibitor 31
分子名称: (2S)-2-[[(2S)-2-[[3-chloranyl-4-[[3-phenyl-2-(phenylmethyl)propanoyl]amino]phenoxy]carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoic acid, 1,2-ETHANEDIOL, Cathepsin B
著者Rubesova, P, Guetschow, M, Mares, M.
登録日2022-09-22
公開日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Human cathepsin B in complex with the carbamate inhibitor 31
To Be Published
2R9O
DownloadVisualize
BU of 2r9o by Molmil
Cathepsin S complexed with Compound 8
分子名称: Cathepsin S, N-[(1S)-2-{[(1R)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide
著者Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M.
登録日2007-09-13
公開日2007-12-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation
to be published
2R9N
DownloadVisualize
BU of 2r9n by Molmil
Cathepsin S complexed with Compound 26
分子名称: Cathepsin S, N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyrrolidin-3-yl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide
著者Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M.
登録日2007-09-13
公開日2007-12-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation
to be published
4W5B
DownloadVisualize
BU of 4w5b by Molmil
Crystal structure analysis of cruzain with Fragment 1 (N-(1H-benzimidazol-2-yl)-1,3-dimethyl-pyrazole-4-carboxamide)
分子名称: 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2015-03-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献Applying Fragments Based- Drug Design to identify multiple binding modes on cysteine protease.
To Be Published
8C77
DownloadVisualize
BU of 8c77 by Molmil
Human cathepsin L after reaction with the thiocarbazate inhibitor CID 16725315
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Cathepsin L, ...
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2023-01-12
公開日2023-01-25
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
4X6H
DownloadVisualize
BU of 4x6h by Molmil
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
8C3D
DownloadVisualize
BU of 8c3d by Molmil
Sulfonated Calpeptin is a promising drug candidate against SARS-CoV-2 infections
分子名称: 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, CALCIUM ION, Cathepsin K
著者Loboda, J, Karnicar, K, Lindic, N, Usenik, A, Lieske, J, Meents, A, Guenther, S, Reinke, P.Y.A, Falke, S, Ewert, W, Turk, D.
登録日2022-12-23
公開日2023-09-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
4X6J
DownloadVisualize
BU of 4x6j by Molmil
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

221051

件を2024-06-12に公開中

PDB statisticsPDBj update infoContact PDBjnumon