2R9F
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![BU of 2r9f by Molmil](/molmil-images/mine/2r9f) | Calpain 1 proteolytic core inactivated by ZLAK-3002, an alpha-ketoamide | Descriptor: | CALCIUM ION, CHLORIDE ION, Calpain-1 catalytic subunit, ... | Authors: | Qian, J, Campbell, R.L, Davies, P.L. | Deposit date: | 2007-09-12 | Release date: | 2008-08-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Cocrystal structures of primed side-extending alpha-ketoamide inhibitors reveal novel calpain-inhibitor aromatic interactions. J.Med.Chem., 51, 2008
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2G8J
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![BU of 2g8j by Molmil](/molmil-images/mine/2g8j) | Calpain 1 proteolytic core in complex with SNJ-1945, a alpha-ketoamide-type inhibitor. | Descriptor: | ((1S)-1-((((1S)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2,3-DIOXOPROPYL)AMINO)CARBONYL)-3-METHYLBUTYL)CARBAMIC ACID 5-METHOXY-3-OXAPENTYL ESTER, CALCIUM ION, Calpain-1 catalytic subunit | Authors: | Cuerrier, D, Moldoveanu, T, Davies, P.L, Campbell, R.L. | Deposit date: | 2006-03-02 | Release date: | 2006-06-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Calpain Inhibition by alpha-Ketoamide and Cyclic Hemiacetal Inhibitors Revealed by X-ray Crystallography Biochemistry, 45, 2006
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1TL9
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![BU of 1tl9 by Molmil](/molmil-images/mine/1tl9) | High resolution crystal structure of calpain I protease core in complex with leupeptin | Descriptor: | CALCIUM ION, Calpain 1, large [catalytic] subunit, ... | Authors: | Moldoveanu, T, Campbell, R.L, Cuerrier, D, Davies, P.L. | Deposit date: | 2004-06-09 | Release date: | 2004-11-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structures of Calpain-E64 and -Leupeptin Inhibitor Complexes Reveal Mobile Loops Gating the Active Site J.Mol.Biol., 343, 2004
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2R9C
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![BU of 2r9c by Molmil](/molmil-images/mine/2r9c) | Calpain 1 proteolytic core inactivated by ZLAK-3001, an alpha-ketoamide | Descriptor: | CALCIUM ION, CHLORIDE ION, Calpain-1 catalytic subunit, ... | Authors: | Qian, J, Campbell, R.L, Davies, P.L. | Deposit date: | 2007-09-12 | Release date: | 2008-08-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Cocrystal structures of primed side-extending alpha-ketoamide inhibitors reveal novel calpain-inhibitor aromatic interactions. J.Med.Chem., 51, 2008
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1TLO
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![BU of 1tlo by Molmil](/molmil-images/mine/1tlo) | High resolution crystal structure of calpain I protease core in complex with E64 | Descriptor: | CALCIUM ION, Calpain 1, large [catalytic] subunit, ... | Authors: | Moldoveanu, T, Campbell, R.L, Cuerrier, D, Davies, P.L. | Deposit date: | 2004-06-09 | Release date: | 2004-11-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structures of Calpain-E64 and -Leupeptin Inhibitor Complexes Reveal Mobile Loops Gating the Active Site J.Mol.Biol., 343, 2004
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1MDW
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![BU of 1mdw by Molmil](/molmil-images/mine/1mdw) | Crystal Structure of Calcium-Bound Protease Core of Calpain II Reveals the Basis for Intrinsic Inactivation | Descriptor: | CALCIUM ION, Calpain II, catalytic subunit | Authors: | Moldoveanu, T, Hosfield, C.M, Lim, D, Jia, Z, Davies, P.L. | Deposit date: | 2002-08-07 | Release date: | 2003-04-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Calpain silencing by a reversible intrinsic mechanism. Nat.Struct.Biol., 10, 2003
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1NP8
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![BU of 1np8 by Molmil](/molmil-images/mine/1np8) | 18-k C-terminally trunucated small subunit of calpain | Descriptor: | CADMIUM ION, Calcium-dependent protease, small subunit | Authors: | Leinala, E.K, Arthur, J.S, Grochulski, P, Davies, P.L, Elce, J.S, Jia, Z. | Deposit date: | 2003-01-17 | Release date: | 2003-11-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A second binding site revealed by C-terminal truncation of calpain small subunit, a penta-EF-hand protein PROTEINS: STRUCT.,FUNCT.,GENET., 53, 2003
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2NQI
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![BU of 2nqi by Molmil](/molmil-images/mine/2nqi) | Calpain 1 proteolytic core inactivated by WR13(R,R), an epoxysuccinyl-type inhibitor. | Descriptor: | CALCIUM ION, Calpain-1 catalytic subunit, N~2~-[(2S)-2-{[(2R)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]AMINO}PENT-4-ENOYL]-L-ARGINYL-L-TRYPTOPHANAMIDE | Authors: | Cuerrier, D, Davies, P.L, Campbell, R.L, Moldoveanu, T. | Deposit date: | 2006-10-31 | Release date: | 2007-01-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Development of Calpain-specific Inactivators by Screening of Positional Scanning Epoxide Libraries J.Biol.Chem., 282, 2007
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2NQG
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![BU of 2nqg by Molmil](/molmil-images/mine/2nqg) | Calpain 1 proteolytic core inactivated by WR18(S,S), an epoxysuccinyl-type inhibitor. | Descriptor: | 5-AZANYLIDYNE-N-[(2S)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]-L-NORVALYL-L-ARGINYL-L-TRYPTOPHANAMIDE, CALCIUM ION, Calpain-1 catalytic subunit | Authors: | Cuerrier, D, Davies, P.L, Campbell, R.L, Moldoveanu, T. | Deposit date: | 2006-10-31 | Release date: | 2007-01-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Development of Calpain-specific Inactivators by Screening of Positional Scanning Epoxide Libraries J.Biol.Chem., 282, 2007
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1KXR
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![BU of 1kxr by Molmil](/molmil-images/mine/1kxr) | Crystal Structure of Calcium-Bound Protease Core of Calpain I | Descriptor: | CALCIUM ION, thiol protease DOMAINS I AND II | Authors: | Moldoveanu, T, Hosfield, C.M, Lim, D, Elce, J.S, Jia, Z, Davies, P.L. | Deposit date: | 2002-02-01 | Release date: | 2002-03-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | A Ca(2+) switch aligns the active site of calpain. Cell(Cambridge,Mass.), 108, 2002
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2G8E
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![BU of 2g8e by Molmil](/molmil-images/mine/2g8e) | Calpain 1 proteolytic core in complex with SNJ-1715, a cyclic hemiacetal-type inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Calpain-1 catalytic subunit, ... | Authors: | Cuerrier, D, Moldoveanu, T, Davies, P.L, Campbell, R.L. | Deposit date: | 2006-03-02 | Release date: | 2006-06-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Calpain Inhibition by alpha-Ketoamide and Cyclic Hemiacetal Inhibitors Revealed by X-ray Crystallography Biochemistry, 45, 2006
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1DVI
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![BU of 1dvi by Molmil](/molmil-images/mine/1dvi) | CALPAIN DOMAIN VI WITH CALCIUM BOUND | Descriptor: | CALCIUM ION, CALPAIN | Authors: | Cygler, M, Blanchard, H, Grochulski, P. | Deposit date: | 1997-05-15 | Release date: | 1998-05-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of a calpain Ca(2+)-binding domain reveals a novel EF-hand and Ca(2+)-induced conformational changes. Nat.Struct.Biol., 4, 1997
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1AJ5
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![BU of 1aj5 by Molmil](/molmil-images/mine/1aj5) | CALPAIN DOMAIN VI APO | Descriptor: | CALPAIN | Authors: | Cygler, M, Grochulski, P, Blanchard, H. | Deposit date: | 1997-05-15 | Release date: | 1998-05-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of a calpain Ca(2+)-binding domain reveals a novel EF-hand and Ca(2+)-induced conformational changes. Nat.Struct.Biol., 4, 1997
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3BOW
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![BU of 3bow by Molmil](/molmil-images/mine/3bow) | Structure of M-calpain in complex with Calpastatin | Descriptor: | CALCIUM ION, Calpain small subunit 1, Calpain-2 catalytic subunit, ... | Authors: | Hanna, R.A, Campbell, R.L, Davies, P.L. | Deposit date: | 2007-12-17 | Release date: | 2008-11-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Calcium-bound structure of calpain and its mechanism of inhibition by calpastatin. Nature, 456, 2008
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1DF0
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![BU of 1df0 by Molmil](/molmil-images/mine/1df0) | Crystal structure of M-Calpain | Descriptor: | CALPAIN, M-CALPAIN | Authors: | Hosfield, C.M, Elce, J.S, Davies, P.L, Jia, Z. | Deposit date: | 1999-11-16 | Release date: | 2000-06-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of calpain reveals the structural basis for Ca(2+)-dependent protease activity and a novel mode of enzyme activation. EMBO J., 18, 1999
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1QXP
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![BU of 1qxp by Molmil](/molmil-images/mine/1qxp) | |
1U5I
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![BU of 1u5i by Molmil](/molmil-images/mine/1u5i) | Crystal Structure analysis of rat m-calpain mutant Lys10 Thr | Descriptor: | Calpain 2, large [catalytic] subunit precursor, Calpain small subunit 1 | Authors: | Hosfield, C.M, Pal, G.P, Elce, J.S, Jia, Z. | Deposit date: | 2004-07-27 | Release date: | 2005-01-18 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Activation of calpain by Ca2+: roles of the large subunit N-terminal and domain III-IV linker peptides J.Mol.Biol., 343, 2004
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3DF0
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![BU of 3df0 by Molmil](/molmil-images/mine/3df0) | Calcium-dependent complex between m-calpain and calpastatin | Descriptor: | CALCIUM ION, Calpain small subunit 1, Calpain-2 catalytic subunit, ... | Authors: | Moldoveanu, T, Gehring, K, Green, D.R. | Deposit date: | 2008-06-11 | Release date: | 2008-11-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Concerted multi-pronged attack by calpastatin to occlude the catalytic cleft of heterodimeric calpains. Nature, 456, 2008
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