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6X8I
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BU of 6x8i by Molmil
Caspase-3 in complex with ketomethylene inhibitor reveals tetrahedral adduct
Descriptor: Caspase-3, ketomethylene inhibitor
Authors:Solania, A, Xu, J.H, Wolan, D.W.
Deposit date:2020-06-01
Release date:2021-06-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Caspase-3 in complex with ketomethylene inhibitor reveals tetrahedral adduct
To Be Published
6X8K
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BU of 6x8k by Molmil
Caspase-3 in complex with elongated ketomethylene inhibitor
Descriptor: Caspase-3, ketomethylene inhibitor
Authors:Solania, A, Xu, J.H, Wolan, D.W.
Deposit date:2020-06-01
Release date:2021-06-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Caspase-3 in complex with elongated ketomethylene inhibitor
To Be Published
5IAG
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BU of 5iag by Molmil
Caspase 3 V266Q
Descriptor: ACE-ASP-GLU-VAL-ASK, ASP-ASP-ASP-MET, Caspase-3
Authors:Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
Deposit date:2016-02-21
Release date:2016-10-26
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
5IAS
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BU of 5ias by Molmil
Caspase 3 V266Y
Descriptor: ACE-ASP-GLU-VAL-ASK, Caspase-3, SODIUM ION
Authors:Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
Deposit date:2016-02-21
Release date:2016-10-26
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
5IC4
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BU of 5ic4 by Molmil
Crystal structure of caspase-3 DEVE peptide complex
Descriptor: Caspase-3 subunit p12, Caspase-3 subunit p17, DEVE peptide
Authors:Seaman, J.E, Julien, O, Lee, P.S, Rettenmaier, T.J, Thomsen, N.D, Wells, J.A.
Deposit date:2016-02-22
Release date:2016-07-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Cacidases: caspases can cleave after aspartate, glutamate and phosphoserine residues.
Cell Death Differ., 23, 2016
5IAK
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BU of 5iak by Molmil
Caspase 3 V266S
Descriptor: ACE-ASP-GLU-VAL-ASK, Caspase-3, SODIUM ION
Authors:Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
Deposit date:2016-02-21
Release date:2016-10-26
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
6IEK
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BU of 6iek by Molmil
Structure of RVFV Gn and human monoclonal antibody R12
Descriptor: Heavy chain of Fab R12, Light chain of Fab R12, NSmGnGc
Authors:Wang, Q.H, Wu, Y, Gao, F, Qi, J.X, Gao, G.F.
Deposit date:2018-09-14
Release date:2019-04-10
Last modified:2019-07-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Neutralization mechanism of human monoclonal antibodies against Rift Valley fever virus.
Nat Microbiol, 4, 2019
6IEA
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BU of 6iea by Molmil
Structure of RVFV Gn and human monoclonal antibody R13
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, NSmGnGc, ...
Authors:Wang, Q.H, Wu, Y, Gao, F, Qi, J.X, Gao, G.F.
Deposit date:2018-09-13
Release date:2019-04-10
Last modified:2019-07-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Neutralization mechanism of human monoclonal antibodies against Rift Valley fever virus.
Nat Microbiol, 4, 2019
6IEB
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BU of 6ieb by Molmil
Structure of RVFV Gn and human monoclonal antibody R15
Descriptor: NSmGnGc, R15 H chain, R15 L chain
Authors:Wang, Q.H, Wu, Y, Gao, F, Qi, J.X, Gao, G.F.
Deposit date:2018-09-13
Release date:2019-04-10
Last modified:2019-07-10
Method:X-RAY DIFFRACTION (2.409 Å)
Cite:Neutralization mechanism of human monoclonal antibodies against Rift Valley fever virus.
Nat Microbiol, 4, 2019
6IEC
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BU of 6iec by Molmil
Structure of RVFV Gn and human monoclonal antibody R17
Descriptor: NSmGnGc, R17 H chain, R17 L chain
Authors:Wang, Q.H, Wu, Y, Gao, F, Qi, J.X, Gao, G.F.
Deposit date:2018-09-13
Release date:2019-04-10
Last modified:2019-07-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Neutralization mechanism of human monoclonal antibodies against Rift Valley fever virus.
Nat Microbiol, 4, 2019
4QUG
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BU of 4qug by Molmil
Caspase-3 M61A
Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, ACETATE ION, AZIDE ION, ...
Authors:Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C.
Deposit date:2014-07-10
Release date:2014-11-05
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.917 Å)
Cite:Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
4QUL
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BU of 4qul by Molmil
Caspase-3 F55W
Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, AZIDE ION, Caspase-3
Authors:Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C.
Deposit date:2014-07-10
Release date:2014-11-05
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
4QU8
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BU of 4qu8 by Molmil
Caspase-3 M61A V266H
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, CHLORIDE ION, ...
Authors:Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C.
Deposit date:2014-07-10
Release date:2014-11-05
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.715 Å)
Cite:Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
4QUH
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BU of 4quh by Molmil
Caspase-3 T140G
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, ...
Authors:Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C.
Deposit date:2014-07-10
Release date:2014-11-05
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.759 Å)
Cite:Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
4QU0
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BU of 4qu0 by Molmil
Caspase-3 Y195AV266H
Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, AZIDE ION, Caspase-3
Authors:Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C.
Deposit date:2014-07-10
Release date:2014-11-05
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.954 Å)
Cite:Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
4QUE
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BU of 4que by Molmil
Caspase-3 Y195FV266H
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, AZIDE ION, ...
Authors:Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C.
Deposit date:2014-07-10
Release date:2014-11-05
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.843 Å)
Cite:Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
4QTX
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BU of 4qtx by Molmil
Caspase-3 Y195A
Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, ACETATE ION, Caspase-3
Authors:Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C.
Deposit date:2014-07-09
Release date:2014-11-05
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.974 Å)
Cite:Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
4QUD
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BU of 4qud by Molmil
Caspase-3 T140F
Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3
Authors:Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C.
Deposit date:2014-07-10
Release date:2014-11-05
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.995 Å)
Cite:Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
4JJE
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BU of 4jje by Molmil
Caspase-3 specific unnatural amino acid peptides
Descriptor: Caspase inhibitor, Caspase-3
Authors:Vickers, C.J, Gonzalez-Paez, G.E, Wolan, D.W.
Deposit date:2013-03-07
Release date:2013-06-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.481 Å)
Cite:Selective Detection of Caspase-3 versus Caspase-7 Using Activity-Based Probes with Key Unnatural Amino Acids.
Acs Chem.Biol., 8, 2013
4QTY
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BU of 4qty by Molmil
Caspase-3 E190A
Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, AZIDE ION, Caspase-3, ...
Authors:Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C.
Deposit date:2014-07-09
Release date:2014-11-05
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
4QU5
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BU of 4qu5 by Molmil
Caspase-3 T140V
Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3
Authors:Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C.
Deposit date:2014-07-10
Release date:2014-11-05
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.908 Å)
Cite:Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
4QUI
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BU of 4qui by Molmil
Caspase-3 F128AV266H
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, CHLORIDE ION, ...
Authors:Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C.
Deposit date:2014-07-10
Release date:2014-11-05
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.758 Å)
Cite:Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
4JQZ
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BU of 4jqz by Molmil
Human procaspase-3, crystal form 2
Descriptor: Procaspase-3
Authors:Thomsen, N.D, Wells, J.A.
Deposit date:2013-03-20
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.889 Å)
Cite:Structural snapshots reveal distinct mechanisms of procaspase-3 and -7 activation.
Proc.Natl.Acad.Sci.USA, 110, 2013
4QU9
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BU of 4qu9 by Molmil
Caspase-3 F128A
Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, AZIDE ION, Caspase-3
Authors:Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C.
Deposit date:2014-07-10
Release date:2014-11-05
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.561 Å)
Cite:Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
4QUJ
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BU of 4quj by Molmil
Caspase-3 T140GV266H
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, AZIDE ION, ...
Authors:Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C.
Deposit date:2014-07-10
Release date:2014-11-05
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.498 Å)
Cite:Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014

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