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6P3Q
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BU of 6p3q by Molmil
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:2024-03-13
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
2G8J
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BU of 2g8j by Molmil
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
2G8E
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BU of 2g8e by Molmil
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
7W7O
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BU of 7w7o by Molmil
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
1ZCM
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BU of 1zcm by Molmil
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:2023-08-23
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
1TL9
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BU of 1tl9 by Molmil
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:2012-12-12
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
1ZIV
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BU of 1ziv by Molmil
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
1TLO
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BU of 1tlo by Molmil
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
2ARY
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BU of 2ary by Molmil
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
1KXR
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BU of 1kxr by Molmil
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
6BDT
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BU of 6bdt by Molmil
Crystal Structure of Human Calpain-3 Protease Core Mutant-C129S
Descriptor: CALCIUM ION, CHLORIDE ION, Calpain-3
Authors:Ye, Q, Campbell, R.L, Davies, P.L.
Deposit date:2017-10-24
Release date:2018-02-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of human calpain-3 protease core with and without bound inhibitor reveal mechanisms of calpain activation.
J. Biol. Chem., 293, 2018
6BJD
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BU of 6bjd by Molmil
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:2023-10-04
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
6BGP
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BU of 6bgp by Molmil
Crystal Structure of Human Calpain-3 Protease Core Mutant-C129A
Descriptor: CALCIUM ION, CHLORIDE ION, Calpain-3
Authors:Ye, Q, Campbell, R.L, Davies, P.L.
Deposit date:2017-10-29
Release date:2018-02-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structures of human calpain-3 protease core with and without bound inhibitor reveal mechanisms of calpain activation.
J. Biol. Chem., 293, 2018
6BKJ
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BU of 6bkj by Molmil
Crystal Structure of Human Calpain-3 Protease Core in Complex with Leupeptin
Descriptor: CALCIUM ION, Calpain-3, Leupeptin
Authors:Ye, Q, Campbell, R.L, Davies, P.L.
Deposit date:2017-11-08
Release date:2018-02-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structures of human calpain-3 protease core with and without bound inhibitor reveal mechanisms of calpain activation.
J. Biol. Chem., 293, 2018
1MDW
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BU of 1mdw by Molmil
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
2NQI
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BU of 2nqi by Molmil
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
2NQA
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BU of 2nqa by Molmil
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:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of Human Calpain 8
To be Published
2NQG
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BU of 2nqg by Molmil
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
2P0R
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BU of 2p0r by Molmil
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:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of Human Minicalpains bound to Inhibitors
To be Published
2R9C
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BU of 2r9c by Molmil
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
2R9F
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BU of 2r9f by Molmil
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
8GX3
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BU of 8gx3 by Molmil
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
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:The crystal structure of human Calpain-1 protease core in complex with 14c
To Be Published
1DF0
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BU of 1df0 by Molmil
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
1QXP
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BU of 1qxp by Molmil
Crystal Structure of a mu-like calpain
Descriptor: mu-like calpain
Authors:Pal, G.P, Veyra, T.D, Elce, J.S, Jia, Z.
Deposit date:2003-09-08
Release date:2004-02-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of a mu-like calpain reveals a partially activated conformation with low Ca(2+) requirement
Structure, 11, 2003
3BOW
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BU of 3bow by Molmil
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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