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8HFV
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BU of 8hfv by Molmil
Crystal structure of CTSL in complex with K777
Descriptor: CACODYLATE ION, Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-phenylalaninamide, Procathepsin L, ...
Authors:Wang, H, Shao, M, Sun, L, Yang, H.
Deposit date:2022-11-12
Release date:2023-12-13
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
8HEN
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BU of 8hen by Molmil
Crystal structure of CTSB in complex with 212-148
Descriptor: 2-[4-[[(2~{S})-1-oxidanylidene-3-phenyl-1-[[(3~{S})-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]amino]propan-2-yl]carbamoyl]piperazin-1-yl]ethyl 4-carbamimidamidobenzoate, Cathepsin B, DIMETHYL SULFOXIDE, ...
Authors:Wang, H, Li, D, Sun, L, Yang, H.
Deposit date:2022-11-08
Release date:2023-12-13
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
4YYS
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BU of 4yys by Molmil
Ficin B crystal form II
Descriptor: Ficin isoform B, PHOSPHATE ION
Authors:Azarkan, M, Baeyens-Volant, D, Loris, R.
Deposit date:2015-03-24
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal structure of four variants of the protease Ficin from the common fig
To Be Published
4YYQ
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BU of 4yyq by Molmil
Ficin A
Descriptor: Ficin isoform A
Authors:Azarkan, M, Baeyens-Volant, D, Loris, R.
Deposit date:2015-03-24
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.594 Å)
Cite:Crystal structure of four variants of the protease Ficin from the common fig
To Be Published
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
5A24
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BU of 5a24 by Molmil
Crystal structure of Dionain-1, the major endopeptidase in the Venus flytrap digestive juice
Descriptor: DIONAIN-1, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, PHOSPHATE ION
Authors:Risor, M.W, Thomsen, L.R, Sanggaard, K.W, Nielsen, T.A, Thogersen, I.B, Lukassen, M.V, Rossen, L, Garcia-Ferrer, I, Guevara, T, Meinjohanns, E, Nielsen, N.C, Gomis-Ruth, F.X, Enghild, J.J.
Deposit date:2015-05-12
Release date:2015-12-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Enzymatic and Structural Characterization of the Major Endopeptidase in the Venus Flytrap Digestion Fluid.
J.Biol.Chem., 291, 2016
4YV8
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BU of 4yv8 by Molmil
Crystal structure of cathepsin K bound to the covalent inhibitor lichostatinal
Descriptor: Cathepsin K, Lichostatinal, SULFATE ION
Authors:Aguda, A.H, Nguyen, N.T, Bromme, D, Brayer, G.D.
Deposit date:2015-03-19
Release date:2016-05-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Affinity Crystallography: A New Approach to Extracting High-Affinity Enzyme Inhibitors from Natural Extracts.
J.Nat.Prod., 79, 2016
1U9Q
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BU of 1u9q by Molmil
Crystal structure of cruzain bound to an alpha-ketoester
Descriptor: [1-(1-METHYL-4,5-DIOXO-PENT-2-ENYLCARBAMOYL)-2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER, cruzipain
Authors:Lange, M, Weston, S.G, Cheng, H, Culliane, M, Fiorey, M.M, Grisostomi, C, Hardy, L.W, Hartstough, D.S, Pallai, P.V, Tilton, R.F, Baldino, C.M, Brinen, L.S, Engel, J.C, Choe, Y, Price, M.S, Craik, C.S.
Deposit date:2004-08-10
Release date:2005-03-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Development of alpha-keto-based inhibitors of cruzain, a cysteine protease implicated in Chagas disease
Bioorg.Med.Chem., 13, 2005
1U9W
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BU of 1u9w by Molmil
Crystal Structure of the Cysteine Protease Human Cathepsin K in Complex with the Covalent Inhibitor NVP-ABI491
Descriptor: 9-CYCLOPENTYL-6-[2-(3-IMIDAZOL-1-YL-PROPOXY)-PHENYLAMINO]-9H-PURINE-2-CARBONITRILE, Cathepsin K
Authors:Cowan-Jacob, S.W.
Deposit date:2004-08-11
Release date:2005-08-11
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Novel purine nitrile derived inhibitors of the cysteine protease cathepsin K
J.Med.Chem., 47, 2004
1U9V
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BU of 1u9v by Molmil
Crystal Structure of the Cysteine Protease Human Cathepsin K in Complex with the Covalent Inhibitor NVP-ABE854
Descriptor: 6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE, Cathepsin K
Authors:Cowan-Jacob, S.W.
Deposit date:2004-08-11
Release date:2005-08-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Novel purine nitrile derived inhibitors of the cysteine protease cathepsin K
J.Med.Chem., 47, 2004
1S4V
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BU of 1s4v by Molmil
The 2.0 A crystal structure of the KDEL-tailed cysteine endopeptidase functioning in programmed cell death of Ricinus communis endosperm
Descriptor: DVA-LEU-LYS-0QE peptide, SULFATE ION, cysteine endopeptidase
Authors:Than, M.E, Helm, M, Simpson, D.J, Lottspeich, F, Huber, R, Gietl, C.
Deposit date:2004-01-19
Release date:2004-03-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:The 2.0 A crystal structure and substrate specificity of the KDEL-tailed cysteine endopeptidase functioning in programmed cell death of Ricinus communis endosperm.
J.Mol.Biol., 336, 2004
1TU6
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BU of 1tu6 by Molmil
Cathepsin K complexed with a ketoamide inhibitor
Descriptor: Cathepsin K, SULFATE ION, [1-(4-FLUOROBENZYL)CYCLOBUTYL]METHYL (1S)-1-[OXO(1H-PYRAZOL-5-YLAMINO)ACETYL]PENTYLCARBAMATE
Authors:Barrett, D.G, Catalano, J.G, Deaton, D.N, Hassell, A.M, Long, S.T, Miller, A.B, Miller, L.R, Shewchuk, L.M, Wells-Knecht, K.J, Wright, L.L.
Deposit date:2004-06-24
Release date:2004-09-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Potent and selective P2-P3 ketoamide inhibitors of cathepsin K with improved pharmacokinetic properties via favorable P1', P1, and/or P3 substitutions
BIOORG.MED.CHEM.LETT., 14, 2004
1U9X
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BU of 1u9x by Molmil
Crystal Structure of the Cysteine Protease Human Cathepsin K in Complex with the Covalent Inhibitor NVP-ABJ688
Descriptor: 9-CYCLOPENTYL-6-{2-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPOXY]-PHENYLAMINO}-9H-PURINE-2-CARBONITRILE, Cathepsin K
Authors:Cowan-Jacob, S.W.
Deposit date:2004-08-11
Release date:2005-08-11
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Novel purine nitrile derived inhibitors of the cysteine protease cathepsin K
J.Med.Chem., 47, 2004
1SP4
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BU of 1sp4 by Molmil
Crystal structure of NS-134 in complex with bovine cathepsin B: a two headed epoxysuccinyl inhibitor extends along the whole active site cleft
Descriptor: Cathepsin B, methyl N-[(2S)-4-{[(1S)-1-{[(2S)-2-carboxypyrrolidin-1-yl]carbonyl}-3-methylbutyl]amino}-2-hydroxy-4-oxobutanoyl]-L-leucylglycylglycinate
Authors:Stern, I, Schaschke, N, Moroder, L, Turk, D.
Deposit date:2004-03-16
Release date:2004-05-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of NS-134 in complex with bovine cathepsin B: a two-headed epoxysuccinyl inhibitor extends along the entire active-site cleft.
Biochem.J., 381, 2004
1SNK
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BU of 1snk by Molmil
Cathepsin K complexed with carbamate derivatized norleucine aldehyde
Descriptor: Cathepsin K, N2-({[(4-BROMOPHENYL)METHYL]OXY}CARBONYL)-N1-[(1S)-1-FORMYLPENTYL]-L-LEUCINAMIDE, SULFATE ION
Authors:Boros, E.E, Deaton, D.N, Hassell, A.M, McFadyen, R.B, Miller, A.B, Miller, L.R, Shewchuk, L.M, Thompson, J.B, Willard Jr, D.H, Wright, L.L.
Deposit date:2004-03-11
Release date:2004-06-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Exploration of the P(2)-P(3) SAR of aldehyde cathepsin K inhibitors
Bioorg.Med.Chem.Lett., 14, 2004
1THE
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BU of 1the by Molmil
CRYSTAL STRUCTURES OF RECOMBINANT RAT CATHEPSIN B AND A CATHEPSIN B-INHIBITOR COMPLEX: IMPLICATIONS FOR STRUCTURE-BASED INHIBITOR DESIGN
Descriptor: Cathepsin B, amino{[(4S)-4-{[(benzyloxy)carbonyl]amino}-5-{[(2S)-1-(benzyloxy)-4-chloro-3-oxobutan-2-yl]amino}-5-oxopentyl]amino}met haniminium
Authors:Huber, C.P, Jia, Z.
Deposit date:1995-09-15
Release date:1996-03-10
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of recombinant rat cathepsin B and a cathepsin B-inhibitor complex. Implications for structure-based inhibitor design.
J.Biol.Chem., 270, 1995
4AXL
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BU of 4axl by Molmil
HUMAN CATHEPSIN L APO FORM WITH ZN
Descriptor: ACETATE ION, CATHEPSIN L1, GLYCEROL, ...
Authors:Banner, D.W, Benz, J.
Deposit date:2012-06-13
Release date:2013-05-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Optimization of Triazine Nitriles as Rhodesain Inhibitors: Structure-Activity Relationships, Bioisosteric Imidazopyridine Nitriles, and X-Ray Crystal Structure Analysis with Human Cathepsin L
Chemmedchem, 8, 2013
4AXM
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BU of 4axm by Molmil
TRIAZINE CATHEPSIN INHIBITOR COMPLEX
Descriptor: 4-[(4-chlorobenzyl)(cyclohexyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide, CATHEPSIN L1, GLYCEROL
Authors:Ehmke, V, Diederich, F, Banner, D.W, Benz, J.
Deposit date:2012-06-13
Release date:2013-05-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Optimization of Triazine Nitriles as Rhodesain Inhibitors: Structure-Activity Relationships, Bioisosteric Imidazopyridine Nitriles, and X-Ray Crystal Structure Analysis with Human Cathepsin L
Chemmedchem, 8, 2013
4N8W
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BU of 4n8w by Molmil
cathepsin K - chondroitin sulfate complex
Descriptor: 2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid, Cathepsin K
Authors:Aguda, A.H, Nguyen, N.T, Bromme, D, Brayer, G.D.
Deposit date:2013-10-18
Release date:2014-11-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural basis of collagen fiber degradation by cathepsin K.
Proc.Natl.Acad.Sci.USA, 111, 2014
4MZS
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BU of 4mzs by Molmil
Mouse cathepsin s with covalent ligand (3S,4S)-1-[(2-CHLOROPHENYL)SULFONYL]-N-[(2E)-2-IMINOETHYL]-4-(MORPHOLIN-4-YLCARBONYL)PYRROLIDINE-3-CARBOXAMIDE
Descriptor: (3S,4S)-1-[(2-chlorophenyl)sulfonyl]-N-[(2E)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)pyrrolidine-3-carboxamide, Cathepsin S
Authors:Kuglstatter, A, Stihle, M.
Deposit date:2013-09-30
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Identification of potent and selective cathepsin S inhibitors containing different central cyclic scaffolds.
J.Med.Chem., 56, 2013
4N4Z
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Trypanosoma brucei procathepsin B structure solved by Serial Microcrystallography using synchrotron radiation
Descriptor: 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
Authors:Gati, C, Bourenkov, G, Klinge, M, Rehders, D, Stellato, F, Oberthuer, D, White, T.A, Yevanov, O, Sommer, B.P, Mogk, S, Duszenko, M, Betzel, C, Schneider, T.R, Chapman, H.N, Redecke, L.
Deposit date:2013-10-08
Release date:2014-02-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Serial crystallography on in vivo grown microcrystals using synchrotron radiation.
IUCrJ, 1, 2014
4MZO
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BU of 4mzo by Molmil
Mouse cathepsin s with covalent ligand (3S,4S)-N-[(2E)-2-IMINOETHYL]-4-(MORPHOLIN-4-YLCARBONYL)-1-(PHENYLSULFONYL)PYRROLIDINE-3-CARBOXAMIDE
Descriptor: (3S,4S)-N-[(2E)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)-1-(phenylsulfonyl)pyrrolidine-3-carboxamide, Cathepsin S
Authors:Kuglstatter, A, Stihle, M.
Deposit date:2013-09-30
Release date:2014-09-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Identification of potent and selective cathepsin S inhibitors containing different central cyclic scaffolds.
J.Med.Chem., 56, 2013
4P6G
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BU of 4p6g by Molmil
Crystal Structure of Human Cathepsin S Bound to a Non-covalent Inhibitor.
Descriptor: (3R,4S)-4-[(4-fluorobenzoyl)amino]-6-[4-(oxetan-3-yl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl methylcarbamate, Cathepsin S
Authors:Wang, Y, Jadhav, P.K.
Deposit date:2014-03-24
Release date:2014-10-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Discovery of Cathepsin S Inhibitor LY3000328 for the Treatment of Abdominal Aortic Aneurysm.
Acs Med.Chem.Lett., 5, 2014
2PAD
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BU of 2pad by Molmil
BINDING OF CHLOROMETHYL KETONE SUBSTRATE ANALOGUES TO CRYSTALLINE PAPAIN
Descriptor: CYSTEINE, PAPAIN
Authors:Drenth, J, Kalk, K.H, Swen, H.M.
Deposit date:1976-11-01
Release date:1977-04-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Binding of chloromethyl ketone substrate analogues to crystalline papain.
Biochemistry, 15, 1976
4PAD
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BU of 4pad by Molmil
Binding of chloromethyl ketone substrate analogues to crystalline papain
Descriptor: N-[(1S)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide, PAPAIN
Authors:Drenth, J.
Deposit date:1976-11-01
Release date:1977-04-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Binding of chloromethyl ketone substrate analogues to crystalline papain.
Biochemistry, 15, 1976

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