1KXR
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CRYSTAL STRUCTURE OF CALCIUM-BOUND PROTEASE CORE OF CALPAIN I
Descriptor:thiol protease DOMAINS I AND II, CALCIUM ION
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:2011-07-13
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:A Ca(2+) switch aligns the active site of calpain.
Cell(Cambridge,Mass.), 108, 2002
1MDW
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CRYSTAL STRUCTURE OF CALCIUM-BOUND PROTEASE CORE OF CALPAIN II REVEALS THE BASIS FOR INTRINSIC INACTIVATION
Descriptor:Calpain II, catalytic subunit, CALCIUM ION
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:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Calpain silencing by a reversible intrinsic mechanism.
Nat.Struct.Biol., 10, 2003
1TL9
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HIGH RESOLUTION CRYSTAL STRUCTURE OF CALPAIN I PROTEASE CORE IN COMPLEX WITH LEUPEPTIN
Descriptor:Calpain 1, large [catalytic] subunit, leupeptin inhibitor, ...
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
1TLO
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HIGH RESOLUTION CRYSTAL STRUCTURE OF CALPAIN I PROTEASE CORE IN COMPLEX WITH E64
Descriptor:Calpain 1, large [catalytic] subunit, CALCIUM ION, ...
Authors:Moldoveanu, T., Campbell, R.L., Cuerrier, D., Davies, P.L.
Deposit date:2004-06-09
Release date:2004-11-02
Last modified:2018-01-31
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
1ZCM
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HUMAN CALPAIN PROTEASE CORE INHIBITED BY ZLLYCH2F
Descriptor:Calpain 1, large [catalytic] subunit, CALCIUM ION, ...
Authors:Li, Q., Hanzlik, R.P., Weaver, R.F., Schonbrunn, E.
Deposit date:2005-04-12
Release date:2006-01-31
Last modified:2017-10-11
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
1ZIV
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CATALYTIC DOMAIN OF HUMAN CALPAIN-9
Descriptor:Calpain 9, CALCIUM ION, BETA-MERCAPTOETHANOL
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:2011-07-13
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
2ARY
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CATALYTIC DOMAIN OF HUMAN CALPAIN-1
Descriptor:Calpain-1 catalytic subunit, CALCIUM ION, BETA-MERCAPTOETHANOL
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:2011-07-13
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
2G8E
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CALPAIN 1 PROTEOLYTIC CORE IN COMPLEX WITH SNJ-1715, A CYCLIC HEMIACETAL-TYPE INHIBITOR
Descriptor:Calpain-1 catalytic subunit, CALCIUM ION, N-[(2S)-1,4-dihydroxybutan-2-yl]-N~2~-(phenylcarbamothioyl)-L-leucinamide, ...
Authors:Cuerrier, D., Moldoveanu, T., Davies, P.L., Campbell, R.L.
Deposit date:2006-03-02
Release date:2006-06-06
Last modified:2017-10-18
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
2G8J
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CALPAIN 1 PROTEOLYTIC CORE IN COMPLEX WITH SNJ-1945, A ALPHA-KETOAMIDE-TYPE INHIBITOR.
Descriptor:Calpain-1 catalytic subunit, CALCIUM ION, ((1S)-1-((((1S)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2,3-DIOXOPROPYL)AMINO)CARBONYL)-3-METHYLBUTYL)CARBAMIC ACID 5-METHOXY-3-OXAPENTYL ESTER
Authors:Cuerrier, D., Moldoveanu, T., Davies, P.L., Campbell, R.L.
Deposit date:2006-03-02
Release date:2006-06-06
Last modified:2017-10-18
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
2NQA
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CATALYTIC DOMAIN OF HUMAN CALPAIN 8
Descriptor:Calpain 8, Leupeptin Inhibitor, CALCIUM ION
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:2017-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of Human Calpain 8
To be Published
2NQG
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CALPAIN 1 PROTEOLYTIC CORE INACTIVATED BY WR18(S,S), AN EPOXYSUCCINYL-TYPE INHIBITOR.
Descriptor:Calpain-1 catalytic subunit, CALCIUM ION, 5-AZANYLIDYNE-N-[(2S)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]-L-NORVALYL-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:2017-10-18
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
2NQI
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CALPAIN 1 PROTEOLYTIC CORE INACTIVATED BY WR13(R,R), AN EPOXYSUCCINYL-TYPE INHIBITOR.
Descriptor:Calpain-1 catalytic subunit, CALCIUM ION, 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:2017-10-18
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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STRUCTURE OF HUMAN CALPAIN 9 IN COMPLEX WITH LEUPEPTIN
Descriptor:Calpain-9, leupeptin, CALCIUM ION
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:2012-12-12
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of Human Minicalpains bound to Inhibitors
To be Published
2R9C
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CALPAIN 1 PROTEOLYTIC CORE INACTIVATED BY ZLAK-3001, AN ALPHA-KETOAMIDE
Descriptor:Calpain-1 catalytic subunit, CALCIUM ION, CHLORIDE ION, ...
Authors:Qian, J., Campbell, R.L., Davies, P.L.
Deposit date:2007-09-12
Release date:2008-08-26
Last modified:2017-10-25
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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CALPAIN 1 PROTEOLYTIC CORE INACTIVATED BY ZLAK-3002, AN ALPHA-KETOAMIDE
Descriptor:Calpain-1 catalytic subunit, CALCIUM ION, CHLORIDE ION, ...
Authors:Qian, J., Campbell, R.L., Davies, P.L.
Deposit date:2007-09-12
Release date:2008-08-26
Last modified:2017-10-25
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
6BDT
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CRYSTAL STRUCTURE OF HUMAN CALPAIN-3 PROTEASE CORE MUTANT-C129S
Descriptor:Calpain-3, CALCIUM ION, CHLORIDE ION
Authors:Ye, Q., Campbell, R.L., Davies, P.L.
Deposit date:2017-10-24
Release date:2018-02-07
Last modified:2018-05-02
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
6BGP
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CRYSTAL STRUCTURE OF HUMAN CALPAIN-3 PROTEASE CORE MUTANT-C129A
Descriptor:Calpain-3, CALCIUM ION, CHLORIDE ION
Authors:Ye, Q., Campbell, R.L., Davies, P.L.
Deposit date:2017-10-29
Release date:2018-02-07
Last modified:2018-05-02
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
6BJD
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CRYSTAL STRUCTURE OF HUMAN CALPAIN-3 PROTEASE CORE IN COMPLEX WITH E-64
Descriptor:Calpain-3, CALCIUM ION, CHLORIDE ION, ...
Authors:Ye, Q., Campbell, R.L., Davies, P.L.
Deposit date:2017-11-06
Release date:2018-02-07
Last modified:2018-05-02
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
6BKJ
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CRYSTAL STRUCTURE OF HUMAN CALPAIN-3 PROTEASE CORE IN COMPLEX WITH LEUPEPTIN
Descriptor:Calpain-3, Leupeptin, CALCIUM ION
Authors:Ye, Q., Campbell, R.L., Davies, P.L.
Deposit date:2017-11-08
Release date:2018-02-07
Last modified:2018-05-02
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
1DF0
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CRYSTAL STRUCTURE OF M-CALPAIN
Descriptor:M-CALPAIN, 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:2018-01-31
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
1KFU
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CRYSTAL STRUCTURE OF HUMAN M-CALPAIN FORM II
Descriptor:M-CALPAIN LARGE SUBUNIT, M-CALPAIN SMALL SUBUNIT
Authors:Strobl, S., Fernandez-Catalan, C., Braun, M., Huber, R., Masumoto, H., Nakagawa, K., Irie, A., Sorimachi, H., Bourenkow, G., Bartunik, H., Suzuki, K., Bode, W.
Deposit date:2001-11-23
Release date:2001-12-07
Last modified:2012-05-02
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of calcium-free human m-calpain suggests an electrostatic switch mechanism for activation by calcium.
Proc.Natl.Acad.Sci.USA, 97, 2000
1KFX
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CRYSTAL STRUCTURE OF HUMAN M-CALPAIN FORM I
Descriptor:M-CALPAIN LARGE SUBUNIT, M-CALPAIN SMALL SUBUNIT
Authors:Strobl, S., Fernandez-Catalan, C., Braun, M., Huber, R., Masumoto, H., Nakagawa, K., Irie, A., Sorimachi, H., Bourenkow, G., Bartunik, H., Suzuki, K., Bode, W.
Deposit date:2001-11-23
Release date:2001-12-07
Last modified:2012-05-02
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:The crystal structure of calcium-free human m-calpain suggests an electrostatic switch mechanism for activation by calcium.
Proc.Natl.Acad.Sci.USA, 97, 2000
1U5I
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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:2011-07-13
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
3BOW
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STRUCTURE OF M-CALPAIN IN COMPLEX WITH CALPASTATIN
Descriptor:Calpain-2 catalytic subunit, Calpain small subunit 1, Calpastatin, ...
Authors:Hanna, R.A., Campbell, R.L., Davies, P.L.
Deposit date:2007-12-17
Release date:2008-11-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Calcium-bound structure of calpain and its mechanism of inhibition by calpastatin.
Nature, 456, 2008
3DF0
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CALCIUM-DEPENDENT COMPLEX BETWEEN M-CALPAIN AND CALPASTATIN
Descriptor:Calpain-2 catalytic subunit, Calpain small subunit 1, Calpastatin, ...
Authors:Moldoveanu, T., Gehring, K., Green, D.R.
Deposit date:2008-06-11
Release date:2008-11-11
Last modified:2018-01-24
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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