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PDB: 456 件
4W5B
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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
8C3D
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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
4W5C
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Crystal structure analysis of cruzain with three Fragments: 1 (N-(1H-benzimidazol-2-yl)-1,3-dimethyl-pyrazole-4-carboxamide), 6 (2-amino-4,6-difluorobenzothiazole) and 9 (N-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)-1H-pyrazole-4-carboxamide).
分子名称: 4,6-difluoro-1,3-benzothiazol-2-amine, 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2015-04-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.27 Å)
主引用文献Applying Fragments Based- Drug Design to identify multiple binding modes on cysteine protease.
To Be Published
5I4H
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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
7JUJ
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BU of 7juj by Molmil
Cruzain bound to Gallinamide inhibitor
分子名称: Cruzipain, POTASSIUM ION, gallinamide A, ...
著者Silva, E.B, Sharma, V, Alvarez, L.H, Gerwick, W.H, McKerrow, J.H, Podust, L.M.
登録日2020-08-19
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Intramolecular Interactions Enhance the Potency of Gallinamide A Analogues against Trypanosoma cruzi .
J.Med.Chem., 65, 2022
5A24
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BU of 5a24 by Molmil
Crystal structure of Dionain-1, the major endopeptidase in the Venus flytrap digestive juice
分子名称: DIONAIN-1, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, PHOSPHATE ION
著者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.
登録日2015-05-12
公開日2015-12-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Enzymatic and Structural Characterization of the Major Endopeptidase in the Venus Flytrap Digestion Fluid.
J.Biol.Chem., 291, 2016
8UAC
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CATHEPSIN L IN COMPLEX WITH AC1115
分子名称: Cathepsin L, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
著者Chao, A, DuPrez, K.T, Han, F.Q.
登録日2023-09-20
公開日2024-02-07
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献CATHEPSIN L IN COMPLEX WITH AC1115
To be Published
8CCU
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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
8CC2
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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
9PAP
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BU of 9pap by Molmil
STRUCTURE OF PAPAIN REFINED AT 1.65 ANGSTROMS RESOLUTION
分子名称: METHANOL, PAPAIN
著者Kamphuis, I.G, Drenth, J.
登録日1986-03-31
公開日1986-10-24
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure of papain refined at 1.65 A resolution
J.Mol.Biol., 179, 1984
7Z58
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BU of 7z58 by Molmil
Crystal structure of human Cathepsin L in complex with covalently bound Calpeptin
分子名称: 1,2-ETHANEDIOL, Calpeptin, Cathepsin L, ...
著者Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A.
登録日2022-03-08
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
7Z3T
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BU of 7z3t by Molmil
Crystal structure of apo human Cathepsin L
分子名称: 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ...
著者Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A.
登録日2022-03-02
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
7S19
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BU of 7s19 by Molmil
Crystal structure of cruzain with gallinamide analog from 2-indolyl series
分子名称: Cruzipain, N,N-dimethyl-L-valyl-L-leucyl-N-[(3S)-6-{(2S)-2-[(1H-indol-3-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-6-oxo-1-phenylhexan-3-yl]-L-leucinamide
著者Sharma, V, Podust, L.M.
登録日2021-09-01
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Intramolecular Interactions Enhance the Potency of Gallinamide A Analogues against Trypanosoma cruzi .
J.Med.Chem., 65, 2022
1EWM
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BU of 1ewm by Molmil
THE CYSTEINE PROTEASE CRUZAIN BOUND TO WRR-112
分子名称: CRUZAIN, N-[3-CARBOXY-2-HYDROXY-PROPIONYL]-L-HOMOPHENYLALANYL-AMINO-2-METHYLBUTANE
著者Brinen, L.S, Gillmor, S.A, Fletterick, R.J.
登録日2000-04-26
公開日2003-06-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Cruzain bound to WRR-112
To be Published
7S18
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Crystal structure of cruzain with gallinamide analog from 2-biaryl series
分子名称: Cruzipain, N,N-dimethyl-L-valyl-L-leucyl-N-[(3S)-6-{(2S)-2-[([1,1'-biphenyl]-4-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-6-oxo-1-phenylhexan-3-yl]-L-leucinamide
著者Sharma, V, Podust, L.M.
登録日2021-09-01
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Intramolecular Interactions Enhance the Potency of Gallinamide A Analogues against Trypanosoma cruzi .
J.Med.Chem., 65, 2022
1EF7
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BU of 1ef7 by Molmil
CRYSTAL STRUCTURE OF HUMAN CATHEPSIN X
分子名称: CATHEPSIN X
著者Guncar, G, Klemencic, I, Turk, B, Turk, V, Karaoglanovic-Carmona, A, Juliano, L, Turk, D.
登録日2000-02-07
公開日2000-03-15
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Crystal structure of cathepsin X: a flip-flop of the ring of His23 allows carboxy-monopeptidase and carboxy-dipeptidase activity of the protease.
Structure Fold.Des., 8, 2000
8RND
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BU of 8rnd by Molmil
Cathepsin S in complex with NNPI-C10 inhibitor
分子名称: 1,2-ETHANEDIOL, Cathepsin S, DI(HYDROXYETHYL)ETHER, ...
著者Petruzzella, A, Lau, K, Pojer, F, Oricchio, E.
登録日2024-01-09
公開日2024-06-05
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Antibody-peptide conjugates deliver covalent inhibitors blocking oncogenic cathepsins.
Nat.Chem.Biol., 2024
8QKB
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Crystal structure of human cathepsin L in complex with the vinyl sulfone inhibitor K777
分子名称: 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ...
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2023-09-14
公開日2023-09-27
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
1MEG
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BU of 1meg by Molmil
CRYSTAL STRUCTURE OF A CARICAIN D158E MUTANT IN COMPLEX WITH E-64
分子名称: CARICAIN, ETHANOL, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE
著者Katerelos, N.A.
登録日1996-05-04
公開日1997-01-11
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a caricain D158E mutant in complex with E-64.
FEBS Lett., 392, 1996
4PAD
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BU of 4pad by Molmil
Binding of chloromethyl ketone substrate analogues to crystalline papain
分子名称: N-[(1S)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide, PAPAIN
著者Drenth, J.
登録日1976-11-01
公開日1977-04-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Binding of chloromethyl ketone substrate analogues to crystalline papain.
Biochemistry, 15, 1976
4PI3
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Crystal structure analysis of cruzain bound to vinyl sulfone analog of WRR-483 (WRR-666)
分子名称: Cruzipain, N-[(2S)-5-(carbamimidamidooxy)-1-oxo-1-{[(1E,3S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide
著者Tochowicz, A, McKerrow, J.H.
登録日2014-05-08
公開日2014-11-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Synthesis and Evaluation of Oxyguanidine Analogues of the Cysteine Protease Inhibitor WRR-483 against Cruzain.
Acs Med.Chem.Lett., 7, 2016
1MEM
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BU of 1mem by Molmil
Crystal structure of Cathepsin K complexed with a potent vinyl sulfone inhibitor
分子名称: Cathepsin K, N-{(1R)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}-N~2~-(piperazin-1-ylcarbonyl)-L-leucinamide
著者Mcgrath, M.E.
登録日1997-01-08
公開日1998-01-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of human cathepsin K complexed with a potent inhibitor.
Nat.Struct.Biol., 4, 1997
4P6E
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Crystal Structure of Human Cathepsin S Bound to a Non-covalent Inhibitor
分子名称: Cathepsin S, N-[(8R)-8-(benzoylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-methylpiperazine-1-carboxamide, SULFATE ION
著者Wang, Y, Jadhav, P.K, Deng, G.G.
登録日2014-03-24
公開日2014-10-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of Cathepsin S Inhibitor LY3000328 for the Treatment of Abdominal Aortic Aneurysm.
Acs Med.Chem.Lett., 5, 2014
6UX6
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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
2G7Y
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Human Cathepsin S with inhibitor CRA-16981
分子名称: (1R)-2-[(CYANOMETHYL)AMINO]-1-({[2-(DIFLUOROMETHOXY)BENZYL]SULFONYL}METHYL)-2-OXOETHYL MORPHOLINE-4-CARBOXYLATE, Cathepsin S
著者Somoza, J.R.
登録日2006-03-01
公開日2006-09-05
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Human Cathepsin S with inhibitor CRA-16981
To be Published

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