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3KW9
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X-ray structure of Cathepsin K covalently bound to a triazine ligand
Descriptor: 4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile, Cathepsin K, trifluoroacetic acid
Authors:Uitdehaag, J.C.M, van Zeeland, M.
Deposit date:2009-12-01
Release date:2010-03-02
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3KWZ
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Cathepsin K in complex with a non-selective 2-cyano-pyrimidine inhibitor
Descriptor: 4-(3-piperidin-1-ylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile, Cathepsin K, SULFATE ION
Authors:Fradera, X, Uitdehaag, J.C.M, van Zeeland, M.
Deposit date:2009-12-02
Release date:2010-03-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
1NLJ
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BU of 1nlj by Molmil
CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT AZEPANONE INHIBITOR
Descriptor: BENZOFURAN-2-CARBOXYLIC ACID {(S)-3-METHYL-1-[3-OXO-1-(PYRIDIN-2-YLSULFONYL)AZEPAN-4-YLCARBAMOYL]BUTYL}AMIDE, CATHEPSIN K
Authors:Smith, W.W, Janson, C.A, Zhao, B.
Deposit date:2003-01-07
Release date:2003-01-14
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Azepanone-Based Inhibitors of Human and Rat Cathepsin K
J.Med.Chem., 44, 2001
3O1G
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Cathepsin K covalently bound to a 2-cyano pyrimidine inhibitor with a benzyl P3 group.
Descriptor: Cathepsin K, N-benzyl-3-(2-cyano-6-propylpyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-5-(trifluoromethyl)benzamide, SULFATE ION
Authors:Fradera, X, van Zeeland, M, Uitdehaag, J.C.M.
Deposit date:2010-07-21
Release date:2010-10-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Optimisation of 2-cyano-pyrimidine inhibitors of cathepsin K: improving selectivity over hERG.
Bioorg.Med.Chem.Lett., 20, 2010
3O0U
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Cathepsin K covalently bound to a cyano-pyrimidine inhibitor with improved selectivity over hERG
Descriptor: 3-{2-[(E)-iminomethyl]-6-propylpyrimidin-4-yl}-N,N-dimethyl-5-(trifluoromethyl)benzamide, Cathepsin K
Authors:Fradera, X, van Zeeland, M, Uitdehaag, J.C.M.
Deposit date:2010-07-20
Release date:2011-03-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Optimisation of 2-cyano-pyrimidine inhibitors of cathepsin K: improving selectivity over hERG.
Bioorg.Med.Chem.Lett., 20, 2010
3OIS
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BU of 3ois by Molmil
Crystal Structure Xylellain, a cysteine protease from Xylella fastidiosa
Descriptor: Cysteine protease, URIDINE-5'-DIPHOSPHATE
Authors:Leite, N.R, Faro, A.R, Oliva, M.A.V, Thiemann, O.H, Oliva, G.
Deposit date:2010-08-19
Release date:2011-08-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The crystal structure of the cysteine protease Xylellain from Xylella fastidiosa reveals an intriguing activation mechanism.
Febs Lett., 587, 2013
1PIP
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BU of 1pip by Molmil
CRYSTAL STRUCTURE OF PAPAIN-SUCCINYL-GLN-VAL-VAL-ALA-ALA-P-NITROANILIDE COMPLEX AT 1.7 ANGSTROMS RESOLUTION: NONCOVALENT BINDING MODE OF A COMMON SEQUENCE OF ENDOGENOUS THIOL PROTEASE INHIBITORS
Descriptor: Papain, SUCCINYL-GLN-VAL-VAL-ALA-ALA-P-NITROANILIDE
Authors:Yamamoto, A, Tomoo, K, Doi, M, Ohishi, H, Inoue, M, Ishida, T, Yamamoto, D, Tsuboi, S, Okamoto, H, Okada, Y.
Deposit date:1992-10-03
Release date:1993-10-31
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of papain-succinyl-Gln-Val-Val-Ala-Ala-p-nitroanilide complex at 1.7-A resolution: noncovalent binding mode of a common sequence of endogenous thiol protease inhibitors.
Biochemistry, 31, 1992
3OVX
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BU of 3ovx by Molmil
Cathepsin S in complex with a covalent inhibitor with an aldehyde warhead
Descriptor: 2-chloro-N-[(1S)-1-formylpropyl]-3-(trifluoromethyl)benzamide, Cathepsin S, DIMETHYL SULFOXIDE
Authors:Fradera, X, van Zeeland, M, Uitdehaag, J.C.M.
Deposit date:2010-09-17
Release date:2010-12-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Trifluoromethylphenyl as P2 for ketoamide-based cathepsin S inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3OVZ
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BU of 3ovz by Molmil
Cathepsin K in complex with a covalent inhibitor with a ketoamide warhead
Descriptor: Cathepsin K, N-[(1S)-3-amino-1-ethyl-2,3-dioxopropyl]-2-chloro-4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)benzamide, SULFATE ION
Authors:Fradera, X, van Zeeland, M, Uitdehaag, J.C.M.
Deposit date:2010-09-17
Release date:2010-12-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Trifluoromethylphenyl as P2 for ketoamide-based cathepsin S inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3P5V
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BU of 3p5v by Molmil
Actinidin from Actinidia arguta planch (Sarusashi)
Descriptor: Actinidin, CADMIUM ION
Authors:Manickam, Y, Nirmal, N, Suzuki, A, Sugiyama, Y, Yamane, T, Devadasan, V, Sharma, A.
Deposit date:2010-10-11
Release date:2010-11-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of actinidin and a comparison of cadmium and sulfur anomalous signals from actinidin crystals measured using in-house copper- and chromium-anode X-ray sources
Acta Crystallogr.,Sect.D, 66, 2010
1POP
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BU of 1pop by Molmil
X-RAY CRYSTALLOGRAPHIC STRUCTURE OF A PAPAIN-LEUPEPTIN COMPLEX
Descriptor: LEUPEPTIN, METHANOL, PAPAIN
Authors:Schroder, E, Crawford, C.
Deposit date:1993-06-24
Release date:1993-10-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-ray crystallographic structure of a papain-leupeptin complex.
FEBS Lett., 315, 1993
1NL6
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BU of 1nl6 by Molmil
Crystal Structure Of The Cysteine Protease Human Cathepsin K In Complex With A Covalent Azepanone Inhibitor
Descriptor: 5-(2-MORPHOLIN-4-YLETHOXY)BENZOFURAN-2-CARBOXYLIC ACID ((S)-3-METHYL-1-{(S)-3-OXO-1-[2-(3-PYRIDIN-2-YLPHENYL)ACETYL]AZEPAN-4-YLCARBAMOYL}BUTYL)AMIDE, Cathepsin K
Authors:Smith, W.W, Janson, C.A, Zhao, B.
Deposit date:2003-01-06
Release date:2003-01-14
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Azepanone-based inhibitors of human and rat cathepsin K
J.Med.Chem., 44, 2001
3MOR
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BU of 3mor by Molmil
Crystal structure of Cathepsin B from Trypanosoma Brucei
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Cathepsin B-like cysteine protease, ...
Authors:Cupelli, K, Stehle, T.
Deposit date:2010-04-23
Release date:2011-11-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:In vivo protein crystallization opens new routes in structural biology.
Nat.Methods, 9, 2012
1PPP
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BU of 1ppp by Molmil
CRYSTAL STRUCTURE OF PAPAIN-E64-C COMPLEX. BINDING DIVERSITY OF E64-C TO PAPAIN S2 AND S3 SUBSITES
Descriptor: METHANOL, N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-2-METHYL-BUTANE, PAPAIN
Authors:Ishida, T.
Deposit date:1993-03-17
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of papain-E64-c complex. Binding diversity of E64-c to papain S2 and S3 subsites.
Biochem.J., 287, 1992
1PPD
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BU of 1ppd by Molmil
RESTRAINED LEAST-SQUARES REFINEMENT OF THE SULFHYDRYL PROTEASE PAPAIN TO 2.0 ANGSTROMS
Descriptor: 2-HYDROXYETHYL-THIOPAPAIN, BETA-MERCAPTOETHANOL
Authors:Jansonius, J.N.
Deposit date:1984-11-06
Release date:1985-01-02
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Restrained Least-Squares Refinement of the Sulfhydryl Protease Papain to 2.0 Angstroms
Acta Crystallogr.,Sect.A, 40, 1984
3N3G
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BU of 3n3g by Molmil
4-(3-Trifluoromethylphenyl)-pyrimidine-2-carbonitrile as cathepsin S inhibitors: N3, not N1 is critically important
Descriptor: (E)-1-(6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridin-2-yl)methanimine, 6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridine-2-carbonitrile, Cathepsin S, ...
Authors:Fradera, X, Uitdehaag, J.C.M, van Zeeland, M.
Deposit date:2010-05-20
Release date:2010-07-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:4-(3-Trifluoromethylphenyl)-pyrimidine-2-carbonitrile as cathepsin S inhibitors: N3, not N1 is critically important.
Bioorg.Med.Chem.Lett., 20, 2010
3N4C
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BU of 3n4c by Molmil
6-Phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile as cathepsin S inhibitors
Descriptor: (E)-1-(1-methyl-6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}-1H-imidazo[4,5-c]pyridin-4-yl)methanimine, Cathepsin S, DIMETHYL SULFOXIDE, ...
Authors:Fradera, X, Uitdehaag, J.C.M, van Zeeland, M.
Deposit date:2010-05-21
Release date:2011-04-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:6-Phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile as cathepsin S inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3OF9
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BU of 3of9 by Molmil
Structural Basis for Irreversible Inhibition of Human Cathepsin L by a Diazomethylketone Inhibitor
Descriptor: Cathepsin L1, Nalpha-[(benzyloxy)carbonyl]-N-[(1S)-1-(4-tert-butoxybenzyl)-3-diazo-2-oxopropyl]-L-phenylalaninamide
Authors:Shenoy, R.T, Sivaraman, J.
Deposit date:2010-08-14
Release date:2010-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.761 Å)
Cite:Structural basis for reversible and irreversible inhibition of human cathepsin L by their respective dipeptidyl glyoxal and diazomethylketone inhibitors.
J.Struct.Biol., 173, 2011
1PPN
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BU of 1ppn by Molmil
STRUCTURE OF MONOCLINIC PAPAIN AT 1.60 ANGSTROMS RESOLUTION
Descriptor: METHANOL, PAPAIN, UNKNOWN LIGAND
Authors:Pickersgill, R.W, Harris, G.W, Garman, E.
Deposit date:1991-10-25
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of Monoclinic Papain at 1.60 Angstroms Resolution
Acta Crystallogr.,Sect.B, 48, 1992
1PE6
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BU of 1pe6 by Molmil
REFINED X-RAY STRUCTURE OF PAPAIN(DOT)E-64-C COMPLEX AT 2.1-ANGSTROMS RESOLUTION
Descriptor: METHANOL, N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-2-METHYL-BUTANE, PAPAIN
Authors:Yamamoto, D, Matsumoto, K, Ohishi, H, Ishida, T, Inoue, M, Kitamura, K, Mizuno, H.
Deposit date:1991-05-14
Release date:1993-04-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Refined x-ray structure of papain.E-64-c complex at 2.1-A resolution.
J.Biol.Chem., 266, 1991
1Q6K
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BU of 1q6k by Molmil
Cathepsin K complexed with t-butyl(1S)-1-cyclohexyl-2-oxoethylcarbamate
Descriptor: Cathepsin K, SULFATE ION, TERT-BUTYL(1S)-1-CYCLOHEXYL-2-OXOETHYLCARBAMATE
Authors:Catalano, J.G, Deaton, D.N, Furfine, E.S, Hassell, A.M, McFadyen, R.B, Miller, A.B, Miller, L.R, Shewchuk, L.M, Willard, D.H, Wright, L.L.
Deposit date:2003-08-13
Release date:2004-03-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Exploration of the P1 SAR of aldehyde cathepsin K inhibitors
Bioorg.Med.Chem.Lett., 14, 2004
3P5X
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BU of 3p5x by Molmil
Actinidin from Actinidia arguta planch (Sarusashi)
Descriptor: Actinidin, CADMIUM ION
Authors:Manickam, Y, Nirmal, N, Suzuki, A, Sugiyama, Y, Yamane, T, Devadasan, V, Sharma, A.
Deposit date:2010-10-11
Release date:2010-11-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural analysis of actinidin and a comparison of cadmium and sulfur anomalous signals from actinidin crystals measured using in-house copper- and chromium-anode X-ray sources
Acta Crystallogr.,Sect.D, 66, 2010
3P5U
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BU of 3p5u by Molmil
Actinidin from Actinidia arguta planch (Sarusashi)
Descriptor: Actinidin, CADMIUM ION
Authors:Manickam, Y, Nirmal, N, Suzuki, A, Sugiyama, Y, Yamane, T, Devadasan, V, Sharma, A.
Deposit date:2010-10-11
Release date:2010-11-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural analysis of actinidin and a comparison of cadmium and sulfur anomalous signals from actinidin crystals measured using in-house copper- and chromium-anode X-ray sources
Acta Crystallogr.,Sect.D, 66, 2010
1NPZ
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BU of 1npz by Molmil
Crystal structures of Cathepsin S inhibitor complexes
Descriptor: Cathepsin S, N~2~-(morpholin-4-ylcarbonyl)-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-leucinamide
Authors:Pauly, T.A, Sulea, T, Ammirati, M, Sivaraman, J, Danley, D.E, Griffor, M.C, Kamath, A.V, Wang, I.K, Laird, E.R, Seddon, A.P, Menard, R, Cygler, M, Rath, V.L.
Deposit date:2003-01-20
Release date:2003-04-15
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Specificity determinants of human cathepsin s revealed by crystal structures of complexes.
Biochemistry, 42, 2003
1O0E
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BU of 1o0e by Molmil
1.9 Angstrom Crystal Structure of a plant cysteine protease Ervatamin C
Descriptor: Ervatamin C, THIOSULFATE
Authors:Thakurta, P.G, Chakrabarti, C, Biswas, S, Dattagupta, J.K.
Deposit date:2003-02-21
Release date:2004-03-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis of the Unusual Stability and Substrate Specificity of Ervatamin C, a Plant Cysteine Protease from Ervatamia coronaria
Biochemistry, 43, 2004

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