2OP9
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4W5C
| 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). | Descriptor: | 4,6-difluoro-1,3-benzothiazol-2-amine, Cruzipain, N-(1H-benzimidazol-2-yl)-1,3-dimethyl-1H-pyrazole-4-carboxamide, ... | Authors: | Tochowicz, A, McKerrow, J.H, Craik, C.S. | Deposit date: | 2014-08-17 | Release date: | 2015-04-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.27 Å) | Cite: | Applying Fragments Based- Drug Design to identify multiple binding modes on cysteine protease. To Be Published
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5FMG
| Structure and function based design of Plasmodium-selective proteasome inhibitors | Descriptor: | (2S)-N-[(E,2S)-1-(1H-indol-3-yl)-4-methylsulfonyl-but-3-en-2-yl]-2-[[(2S)-3-(1H-indol-3-yl)-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]-4-methyl-pentanamide, BETA3 PROTEASOME SUBUNIT, PUTATIVE, ... | Authors: | Li, H, O'Donoghue, A.J, van der Linden, W.A, Xie, S.C, Yoo, E, Foe, I.T, Tilley, L, Craik, C.S, da Fonseca, P.C.A, Bogyo, M. | Deposit date: | 2015-11-04 | Release date: | 2016-03-02 | Last modified: | 2017-08-23 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structure and Function Based Design of Plasmodium-Selective Proteasome Inhibitors Nature, 530, 2016
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4W5B
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3SO3
| Structures of Fab-Protease Complexes Reveal a Highly Specific Non-Canonical Mechanism of Inhibition. | Descriptor: | A11 FAB heavy chain, A11 FAB light chain, GLYCEROL, ... | Authors: | Schneider, E.L, Farady, C.J, Egea, P.F, Goetz, D.H, Baharuddin, A, Craik, C.S. | Deposit date: | 2011-06-29 | Release date: | 2012-06-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A reverse binding motif that contributes to specific protease inhibition by antibodies. J.Mol.Biol., 415, 2012
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3BN9
| Crystal Structure of MT-SP1 in complex with Fab Inhibitor E2 | Descriptor: | 1,2-ETHANEDIOL, E2 Fab Heavy Chain, E2 Fab Light Chain, ... | Authors: | Farady, C.J, Schneider, E.L, Egea, P.F, Goetz, D.H, Craik, C.S. | Deposit date: | 2007-12-13 | Release date: | 2008-09-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.173 Å) | Cite: | Structure of an Fab-protease complex reveals a highly specific non-canonical mechanism of inhibition J.Mol.Biol., 380, 2008
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2SAM
| STRUCTURE OF THE PROTEASE FROM SIMIAN IMMUNODEFICIENCY VIRUS: COMPLEX WITH AN IRREVERSIBLE NON-PEPTIDE INHIBITOR | Descriptor: | 3-(4-NITRO-PHENOXY)-PROPAN-1-OL, SIV PROTEASE | Authors: | Rose, R.B, Rose, J.R, Salto, R, Craik, C.S, Stroud, R.M. | Deposit date: | 1994-07-08 | Release date: | 1994-10-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the protease from simian immunodeficiency virus: complex with an irreversible nonpeptide inhibitor. Biochemistry, 32, 1993
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8FYU
| Crystal structure of the human CHIP-TPR domain in complex with a 10mer acetylated tau peptide | Descriptor: | ACE-SER-SER-THR-GLY-SER-ILE-ASP-MET-VAL-ASP, E3 ubiquitin-protein ligase CHIP | Authors: | Wucherer, K, Bohn, M.F, Basu, K, Nadel, C.M, Gestwicki, J.E, Craik, C.S. | Deposit date: | 2023-01-26 | Release date: | 2023-08-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.84839141 Å) | Cite: | Phosphorylation of a Cleaved Tau Proteoform at a Single Residue Inhibits Binding to the E3 Ubiquitin Ligase, CHIP. Biorxiv, 2023
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6BGJ
| Cryo-EM structure of the TMEM16A calcium-activated chloride channel in LMNG | Descriptor: | Anoctamin-1, CALCIUM ION | Authors: | Dang, S, Feng, S, Tien, J, Peters, C.J, Bulkley, D, Lolicato, M, Zhao, J, Zuberbuhler, K, Ye, W, Qi, L, Chen, T, Craik, C.S, Jan, Y.N, Minor Jr, D.L, Cheng, Y, Jan, L.Y. | Deposit date: | 2017-10-28 | Release date: | 2017-12-27 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryo-EM structures of the TMEM16A calcium-activated chloride channel. Nature, 552, 2017
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6BGI
| Cryo-EM structure of the TMEM16A calcium-activated chloride channel in nanodisc | Descriptor: | Anoctamin-1, CALCIUM ION | Authors: | Dang, S, Feng, S, Tien, J, Peters, C.J, Bulkley, D, Lolicato, M, Zhao, J, Zuberbuhler, K, Ye, W, Qi, J, Chen, T, Craik, C.S, Jan, Y.N, Minor Jr, D.L, Cheng, Y, Jan, L.Y. | Deposit date: | 2017-10-28 | Release date: | 2017-12-27 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryo-EM structures of the TMEM16A calcium-activated chloride channel. Nature, 552, 2017
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6NSV
| Crystal structure of the human CHIP TPR domain in complex with a 5mer acetylated optimized peptide | Descriptor: | ACE-LEU-TRP-TRP-PRO-ASP, CHLORIDE ION, E3 ubiquitin-protein ligase CHIP, ... | Authors: | Basu, K, Ravalin, M, Bohn, M.-F, Craik, C.S, Gestwicki, J.E. | Deposit date: | 2019-01-25 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.305 Å) | Cite: | Specificity for latent C termini links the E3 ubiquitin ligase CHIP to caspases. Nat.Chem.Biol., 15, 2019
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7KTX
| Cryo-EM structure of Saccharomyces cerevisiae ER membrane protein complex bound to a Fab in DDM detergent | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ER membrane protein complex subunit 1, ER membrane protein complex subunit 2, ... | Authors: | Miller-Vedam, L.E, Schirle Oakdale, N.S, Braeuning, B, Boydston, E.A, Sevillano, N, Popova, K.D, Bonnar, J.L, Shurtleff, M.J, Prabu, J.R, Stroud, R.M, Craik, C.S, Schulman, B.A, Weissman, J.S, Frost, A. | Deposit date: | 2020-11-24 | Release date: | 2020-12-02 | Last modified: | 2020-12-09 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Structural and mechanistic basis of the EMC-dependent biogenesis of distinct transmembrane clients. Elife, 9, 2020
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7TCZ
| Human cytomegalovirus protease mutant (C84A, C87A, C138A, C202A) in complex with inhibitor | Descriptor: | Assemblin, [1-(2-oxopropyl)-4-phenyl-1H-1,2,3-triazol-5-yl]methyl benzylcarbamate | Authors: | Hulce, K.R, Bohn, M, Ongpipattanakul, C, Jaishankar, P, Renslo, A.R, Craik, C.S. | Deposit date: | 2021-12-29 | Release date: | 2022-01-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Inhibiting a dynamic viral protease by targeting a non-catalytic cysteine. Cell Chem Biol, 29, 2022
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1AZ5
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5UTN
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5V5E
| Room temperature (280K) crystal structure of Kaposi's sarcoma-associated herpesvirus protease in complex with allosteric inhibitor (compound 733) | Descriptor: | 4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-{[3-(trifluoromethoxy)phenyl]amino}benzoic acid, ORF 17 | Authors: | Thompson, M.C, Acker, T.M, Fraser, J.S, Craik, C.S. | Deposit date: | 2017-03-14 | Release date: | 2017-04-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.299 Å) | Cite: | Allosteric Inhibitors, Crystallography, and Comparative Analysis Reveal Network of Coordinated Movement across Human Herpesvirus Proteases. J. Am. Chem. Soc., 139, 2017
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5V5D
| Room temperature (280K) crystal structure of Kaposi's sarcoma-associated herpesvirus protease in complex with allosteric inhibitor (compound 250) | Descriptor: | 4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-(phenylamino)benzoic acid, ORF 17 | Authors: | Thompson, M.C, Acker, T.M, Fraser, J.S, Craik, C.S. | Deposit date: | 2017-03-14 | Release date: | 2017-04-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.104 Å) | Cite: | Allosteric Inhibitors, Crystallography, and Comparative Analysis Reveal Network of Coordinated Movement across Human Herpesvirus Proteases. J. Am. Chem. Soc., 139, 2017
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5UTE
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5UR3
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5UV3
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5UVP
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1U9Q
| 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
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1YTI
| SIV PROTEASE CRYSTALLIZED WITH PEPTIDE PRODUCT | Descriptor: | PEPTIDE PRODUCT, SIV PROTEASE | Authors: | Rose, R.B, Craik, C.S, Douglas, N.L, Stroud, R.M. | Deposit date: | 1996-08-01 | Release date: | 1997-03-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Three-dimensional structures of HIV-1 and SIV protease product complexes. Biochemistry, 35, 1996
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1YTG
| SIV PROTEASE CRYSTALLIZED WITH PEPTIDE PRODUCT | Descriptor: | HIV PROTEASE, PEPTIDE PRODUCT | Authors: | Rose, R.B, Craik, C.S, Douglas, N.L, Stroud, R.M. | Deposit date: | 1996-08-01 | Release date: | 1997-03-12 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Three-dimensional structures of HIV-1 and SIV protease product complexes. Biochemistry, 35, 1996
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1YTJ
| SIV PROTEASE CRYSTALLIZED WITH PEPTIDE PRODUCT | Descriptor: | PEPTIDE PRODUCT, SIV PROTEASE | Authors: | Rose, R.B, Craik, C.S, Douglas, N.L, Stroud, R.M. | Deposit date: | 1996-08-01 | Release date: | 1997-03-12 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Three-dimensional structures of HIV-1 and SIV protease product complexes. Biochemistry, 35, 1996
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