6P3Q
 
 | | Calpain-5 (CAPN5) Protease Core (PC) | | Descriptor: | Calpain-5 | | Authors: | Velez, G, Sun, Y.J, Khan, S, Yang, J, Koster, H.J, Lokesh, G, Mahajan, V. | | Deposit date: | 2019-05-24 | | Release date: | 2020-02-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Insights into the Unique Activation Mechanisms of a Non-classical Calpain and Its Disease-Causing Variants.
Cell Rep, 30, 2020
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6BDT
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2ARY
 | | Catalytic domain of Human Calpain-1 | | Descriptor: | BETA-MERCAPTOETHANOL, CALCIUM ION, Calpain-1 catalytic subunit | | Authors: | Walker, J.R, Davis, T, Lunin, V, Newman, E.M, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-08-22 | | Release date: | 2005-08-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Crystal Structures of Human Calpains 1 and 9 Imply Diverse Mechanisms of Action and Auto-inhibition
J.Mol.Biol., 366, 2007
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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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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: | 2024-11-13 | | 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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7W7O
 | | The crystal structure of human Calpain-1 protease core in complex with 14a | | Descriptor: | CALCIUM ION, Calpain-1 catalytic subunit, HYDROSULFURIC ACID, ... | | Authors: | Zhao, Y, Zhao, J, Shao, M, Yang, H, Rao, Z. | | Deposit date: | 2021-12-06 | | Release date: | 2023-06-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | The crystal structure of human Calpain-1 protease core in complex with 14a
To Be Published
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1ZCM
 | | Human calpain protease core inhibited by ZLLYCH2F | | Descriptor: | CALCIUM ION, Calpain 1, large [catalytic] subunit, ... | | Authors: | Li, Q, Hanzlik, R.P, Weaver, R.F, Schonbrunn, E. | | Deposit date: | 2005-04-12 | | Release date: | 2006-01-31 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular mode of action of a covalently inhibiting peptidomimetic on the human calpain protease core
Biochemistry, 45, 2006
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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: | 2024-11-13 | | 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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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: | 2024-10-30 | | 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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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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1ZIV
 | | Catalytic Domain of Human Calpain-9 | | Descriptor: | BETA-MERCAPTOETHANOL, CALCIUM ION, Calpain 9 | | Authors: | Walker, J.R, Davis, T, Newman, E.M, Mackenzie, F, Dong, A, Choe, J, Arrowsmith, C, Sundstrom, M, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-04-27 | | Release date: | 2005-07-05 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | The crystal structures of human calpains 1 and 9 imply diverse mechanisms of action and auto-inhibition.
J.Mol.Biol., 366, 2007
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6BGP
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6BJD
 | | Crystal Structure of Human Calpain-3 Protease Core in Complex with E-64 | | Descriptor: | CALCIUM ION, CHLORIDE ION, Calpain-3, ... | | Authors: | Ye, Q, Campbell, R.L, Davies, P.L. | | Deposit date: | 2017-11-06 | | Release date: | 2018-02-07 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structures of human calpain-3 protease core with and without bound inhibitor reveal mechanisms of calpain activation.
J. Biol. Chem., 293, 2018
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6BKJ
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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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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: | 2024-11-20 | | 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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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: | 2024-11-13 | | 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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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: | 2024-10-30 | | 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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2NQA
 | | Catalytic Domain of Human Calpain 8 | | Descriptor: | CALCIUM ION, Calpain-8, Leupeptin Inhibitor | | Authors: | Davis, T.L, Paramanathan, R, Butler-Cole, C, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-10-30 | | Release date: | 2006-11-14 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of Human Calpain 8
To be Published
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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: | 2024-11-20 | | 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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2P0R
 | | Structure of Human Calpain 9 in complex with Leupeptin | | Descriptor: | CALCIUM ION, Calpain-9, leupeptin | | Authors: | Davis, T.L, Paramanathan, R, Walker, J.R, Butler-Cole, C, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-03-01 | | Release date: | 2007-03-20 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of Human Minicalpains bound to Inhibitors
To be Published
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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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8GX3
 | | The crystal structure of human Calpain-1 protease core in complex with 14c | | Descriptor: | CALCIUM ION, Calpain-1 catalytic subunit, N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-benzofuran-2-carboxamide | | Authors: | Zhao, Y, Zhao, J, Shao, M, Yang, H, Rao, Z. | | Deposit date: | 2022-09-18 | | Release date: | 2023-09-20 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | The crystal structure of human Calpain-1 protease core in complex with 14c
To Be Published
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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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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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