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6RN9
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BU of 6rn9 by Molmil
DPP1 in complex with inhibitor
Descriptor: (2~{S},4~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-oxidanyl-pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kack, H.
Deposit date:2019-05-08
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:DPP1 Inhibitors: Exploring the Role of Water in the S2 Pocket of DPP1 with Substituted Pyrrolidines.
Acs Med.Chem.Lett., 10, 2019
7AVM
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BU of 7avm by Molmil
Crystal Structure of Pro-Rhodesain C150A
Descriptor: Cysteine protease, GLYCEROL
Authors:Johe, P, Jaenicke, E, Neuweiler, H, Schirmeister, T, Kersten, C, Hellmich, U.
Deposit date:2020-11-05
Release date:2020-11-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure, interdomain dynamics, and pH-dependent autoactivation of pro-rhodesain, the main lysosomal cysteine protease from African trypanosomes.
J.Biol.Chem., 296, 2021
6U7D
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BU of 6u7d by Molmil
Recombinant stem bromelain precursor
Descriptor: FBSB
Authors:Yongqing, T, Pike, R.N, Wijeyewickrema, L.C.
Deposit date:2019-09-02
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structure of a Recombinant Stem Bromelain Precursor
To be published
6JD0
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BU of 6jd0 by Molmil
Structure of mutant human cathepsin L, engineered for GAG binding
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Cathepsin L1, ...
Authors:Choudhury, D, Biswas, S.
Deposit date:2019-01-30
Release date:2020-02-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.805 Å)
Cite:Structure-guided protein engineering of human cathepsin L for efficient collagenolytic activity.
Protein Eng.Des.Sel., 34, 2021
5VPL
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BU of 5vpl by Molmil
CRYSTAL STRUCTURE OF DER F 1 COMPLEXED WITH FAB 4C1
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4C1 - HEAVY CHAIN, ...
Authors:Chruszcz, M, Vailes, L.D, Chapman, M.D, Pomes, A, Minor, W.
Deposit date:2017-05-05
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular Determinants For Antibody Binding On Group 1 House Dust Mite Allergens.
J.Biol.Chem., 287, 2012
6IC7
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BU of 6ic7 by Molmil
Human cathepsin-C in complex with dipeptidyl cyclopropyl nitrile inhibitor 3
Descriptor: 1-azanyl-~{N}-[(1~{R},2~{R})-1-cyano-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]cyclohexane-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Hakansson, M, Logan, D.T, Korkmaz, B, Lesner, A, Wysocka, M, Gieldon, A, Gauthier, F, Jenne, D, Lauritzen, C, Pedersen, J.
Deposit date:2018-12-02
Release date:2019-04-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design and in vivo anti-arthritic activity evaluation of a potent dipeptidyl cyclopropyl nitrile inhibitor of cathepsin C.
Biochem. Pharmacol., 164, 2019
6IC5
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BU of 6ic5 by Molmil
Human cathepsin-C in complex with dipeptidyl cyclopropyl nitrile inhibitor 2
Descriptor: (2~{S})-2-azanyl-~{N}-[(1~{R},2~{R})-1-(iminomethyl)-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]-3-thiophen-2-yl-propanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Hakansson, M, Logan, D.T, Korkmaz, B, Lesner, A, Wysocka, M, Gieldon, A, Gauthier, F, Jenne, D, Lauritzen, C, Pedersen, J.
Deposit date:2018-12-02
Release date:2019-04-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design and in vivo anti-arthritic activity evaluation of a potent dipeptidyl cyclopropyl nitrile inhibitor of cathepsin C.
Biochem. Pharmacol., 164, 2019
6IC6
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BU of 6ic6 by Molmil
Human cathepsin-C in complex with cyclopropyl peptidyl nitrile inhibitor 1
Descriptor: (2~{S})-~{N}-[(1~{R},2~{R})-1-(aminomethyl)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]-2-azanyl-butanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Hakansson, M, Logan, D.T, Korkmaz, B, Lesner, A, Wysocka, M, Gieldon, A, Gauthier, F, Jenne, D, Lauritzen, C, Pedersen, J.
Deposit date:2018-12-02
Release date:2019-04-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:Structure-based design and in vivo anti-arthritic activity evaluation of a potent dipeptidyl cyclopropyl nitrile inhibitor of cathepsin C.
Biochem. Pharmacol., 164, 2019
6JD8
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BU of 6jd8 by Molmil
Structure of a proline specific mutant of human cathepsin L
Descriptor: 1,2-ETHANEDIOL, Cathepsin L1, DI(HYDROXYETHYL)ETHER, ...
Authors:Choudhury, D, Biswas, S.
Deposit date:2019-01-31
Release date:2020-02-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.457 Å)
Cite:Structure-guided protein engineering of human cathepsin L for efficient collagenolytic activity.
Protein Eng.Des.Sel., 34, 2021
3PDF
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BU of 3pdf by Molmil
Discovery of Novel Cyanamide-Based Inhibitors of Cathepsin C
Descriptor: 2,5-dibromo-N-{(3R,5S)-1-[(Z)-iminomethyl]-5-methylpyrrolidin-3-yl}benzenesulfonamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhao, B, Laine, D.
Deposit date:2010-10-22
Release date:2011-10-26
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of novel cyanamide-based inhibitors of cathepsin C.
Acs Med.Chem.Lett., 2, 2011
3PBH
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BU of 3pbh by Molmil
REFINED CRYSTAL STRUCTURE OF HUMAN PROCATHEPSIN B AT 2.5 ANGSTROM RESOLUTION
Descriptor: PROCATHEPSIN B
Authors:Podobnik, M, Turk, D, Kuhelj, R, Turk, V.
Deposit date:1997-02-13
Release date:1998-02-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the wild-type human procathepsin B at 2.5 A resolution reveals the native active site of a papain-like cysteine protease zymogen.
J.Mol.Biol., 271, 1997
3QJ3
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BU of 3qj3 by Molmil
Structure of digestive procathepsin L2 proteinase from Tenebrio molitor larval midgut
Descriptor: ACETATE ION, Cathepsin L-like protein
Authors:Beton, D, Guzzo, C.R, Terra, W.R, Farah, C.S.
Deposit date:2011-01-28
Release date:2012-02-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The 3D structure and function of digestive cathepsin L-like proteinases of Tenebrio molitor larval midgut.
Insect Biochem.Mol.Biol., 42, 2012
3QT4
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BU of 3qt4 by Molmil
Structure of digestive procathepsin L 3 of Tenebrio molitor larval midgut
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, Cathepsin-L-like midgut cysteine proteinase, PHOSPHATE ION, ...
Authors:Beton, D, Guzzo, C.R, Terra, W.R, Farah, C.S.
Deposit date:2011-02-22
Release date:2012-02-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:The 3D structure and function of digestive cathepsin L-like proteinases of Tenebrio molitor larval midgut.
Insect Biochem.Mol.Biol., 42, 2012
4OEL
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BU of 4oel by Molmil
Crystal structure of Cathepsin C in complex with dipeptide substrates
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Dipeptidyl peptidase 1 Heavy chain, ...
Authors:Zhao, B, Smallwood, A, Concha, N.
Deposit date:2014-01-13
Release date:2015-03-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The amino-acid substituents of dipeptide substrates of cathepsin C can determine the rate-limiting steps of catalysis.
Biochemistry, 51, 2012
4OEM
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BU of 4oem by Molmil
Crystal structure of Cathepsin C in complex with dipeptide substrates
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Zhao, B, Smallwood, A, Concha, N.
Deposit date:2014-01-13
Release date:2015-03-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:The amino-acid substituents of dipeptide substrates of cathepsin C can determine the rate-limiting steps of catalysis.
Biochemistry, 51, 2012
4QRX
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BU of 4qrx by Molmil
Crystal structure of pro-papain mutant at pH 4.0
Descriptor: pro-papain
Authors:Dutta, S, Choudhury, D, Roy, S, Biswas, S.
Deposit date:2014-07-02
Release date:2015-08-05
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.138 Å)
Cite:Pro-peptide regulates the substrate specificity and zymogen activation process of papain: A structural and mechanistic insight
to be published
4QRG
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BU of 4qrg by Molmil
Crystal structure of I86L mutant of papain
Descriptor: CHLORIDE ION, Papain, SODIUM ION
Authors:Dutta, S, Choudhury, D, Roy, S, Biswas, S.
Deposit date:2014-07-01
Release date:2015-08-05
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.497 Å)
Cite:Pro-peptide regulates the substrate specificity and zymogen activation process of papain: A structural and mechanistic insight
To be Published
4QRV
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BU of 4qrv by Molmil
Crystal structure of I86F mutant of papain
Descriptor: CHLORIDE ION, Papain, SODIUM ION
Authors:Dutta, S, Choudhury, D, Roy, S.
Deposit date:2014-07-02
Release date:2015-08-12
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.978 Å)
Cite:Pro-peptide regulates the substrate specificity and zymogen activation process of papain: A structural and mechanistic insight
to be published
2O6X
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BU of 2o6x by Molmil
Crystal Structure of ProCathepsin L1 from Fasciola hepatica
Descriptor: Secreted cathepsin L 1
Authors:Brinen, L.S, Dalton, J.P, Geiger, S, Marion, R, Stack, C.M.
Deposit date:2006-12-08
Release date:2007-12-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural and functional relationships in the virulence-associated cathepsin L proteases of the parasitic liver fluke, Fasciola hepatica.
J.Biol.Chem., 283, 2008
2PBH
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BU of 2pbh by Molmil
CRYSTAL STRUCTURE OF HUMAN PROCATHEPSIN B AT 3.3 ANGSTROM RESOLUTION
Descriptor: PROCATHEPSIN B
Authors:Podobnik, M, Turk, D, Kuhelj, R, Turk, V.
Deposit date:1997-02-14
Release date:1998-02-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structures of human procathepsin B at 3.2 and 3.3 Angstroms resolution reveal an interaction motif between a papain-like cysteine protease and its propeptide.
FEBS Lett., 384, 1996
2NQD
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BU of 2nqd by Molmil
Crystal structure of cysteine protease inhibitor, chagasin, in complex with human cathepsin L
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Cathepsin L, ...
Authors:Redzynia, I, Bujacz, G, Ljunggren, A, Jaskolski, M, Abrahamson, M.
Deposit date:2006-10-31
Release date:2007-07-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of the parasite protease inhibitor chagasin in complex with a host target cysteine protease
J.Mol.Biol., 371, 2007
2OUL
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BU of 2oul by Molmil
The Structure of Chagasin in Complex with a Cysteine Protease Clarifies the Binding Mode and Evolution of a New Inhibitor Family
Descriptor: Chagasin, Falcipain 2
Authors:Wang, S.X, Chand, K, Huang, R, Whisstock, J, Jacobelli, J, Fletterick, R.J, Rosenthal, P.J, McKerrow, J.H.
Deposit date:2007-02-11
Release date:2008-02-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structure of chagasin in complex with a cysteine protease clarifies the binding mode and evolution of an inhibitor family.
Structure, 15, 2007
4CDC
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BU of 4cdc by Molmil
Human DPP1 in complex with (2S)-2-amino-N-((1S)-1-cyano-2-(4- phenylphenyl)ethyl)butanamide
Descriptor: (2S)-2-azanyl-N-[(2S)-1-azanylidene-3-(4-phenylphenyl)propan-2-yl]butanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Debreczeni, J, Edman, K, Furber, M, Tiden, A, Gardiner, P, Mete, T, Ford, R, Millichip, I, Stein, L, Mather, A, Kinchin, E, Luckhurst, C, Cage, P, Sanghanee, H, Breed, J, Wissler, L.
Deposit date:2013-10-31
Release date:2014-03-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate.
J.Med.Chem., 57, 2014
4CDD
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BU of 4cdd by Molmil
Human DPP1 in complex with (2S)-N-((1S)-1-cyano-2-(4-(4-cyanophenyl) phenyl)ethyl)piperidine-2-carboxamide
Descriptor: (2S)-N-[(2S)-1-AZANYLIDENE-3-[4-(4-CYANOPHENYL)PHENYL]PROPAN-2-YL]PIPERIDINE-2-CARBOXAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Debreczeni, J, Edman, K, Furber, M, Tiden, A, Gardiner, P, Mete, T, Ford, R, Millichip, I, Stein, L, Mather, A, Kinchin, E, Luckhurst, C, Cage, P, Sanghanee, H, Breed, J, Wissler, L.
Deposit date:2013-10-31
Release date:2014-03-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate.
J.Med.Chem., 57, 2014
4CDE
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BU of 4cde by Molmil
Human DPP1 in complex with 4-amino-N-((1S)-1-cyano-2-(4-(4- cyanophenyl)phenyl)ethyl)tetrahydropyran-4-carboxamide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-AZANYL-N-[(2S)-1-AZANYLIDENE-3-[4-(4-CYANOPHENYL)PHENYL]PROPAN-2-YL]OXANE-4-CARBOXAMIDE, CHLORIDE ION, ...
Authors:Debreczeni, J, Edman, K, Furber, M, Tiden, A, Gardiner, P, Mete, T, Ford, R, Millichip, I, Stein, L, Mather, A, Kinchin, E, Luckhurst, C, Cage, P, Sanghanee, H, Breed, J, Wissler, L.
Deposit date:2013-10-31
Release date:2014-03-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate.
J.Med.Chem., 57, 2014

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数据于2024-06-12公开中

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