7JL7
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![BU of 7jl7 by Molmil](/molmil-images/mine/7jl7) | Zebrafish Caspase N213T | Descriptor: | ASP-GLU-VAL-ASP peptide, Caspase 3, apoptosis-related cysteine protease a | Authors: | Clark, A.C, Swartz, P.D. | Deposit date: | 2020-07-29 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Remodeling hydrogen bond interactions results in relaxed specificity of Caspase-3. Biosci.Rep., 41, 2021
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7S2H
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![BU of 7s2h by Molmil](/molmil-images/mine/7s2h) | Crystal structure of Trypanosoma cruzi glucokinase in the apo form (open conformation) | Descriptor: | CITRATE ANION, Glucokinase 1, putative, ... | Authors: | Kearns, S.P, Daneshian, L, Swartz, P.D, Carey, S.M, Chruszcz, M, D'Antonio, E.L. | Deposit date: | 2021-09-03 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of Trypanosoma cruzi glucokinase in the apo form (open conformation) To Be Published
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5IAB
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![BU of 5iab by Molmil](/molmil-images/mine/5iab) | Caspase 3 V266D | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACE-ASP-GLU-VAL-ASK, 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 (1.79 Å) | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
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5IAJ
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![BU of 5iaj by Molmil](/molmil-images/mine/5iaj) | Caspase 3 V266L | 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 (1.58 Å) | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
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5IBP
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![BU of 5ibp by Molmil](/molmil-images/mine/5ibp) | Caspase 3 V266M | Descriptor: | ACE-ASP-GLU-VAL-ASK, AZIDE ION, Caspase-3 | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | Deposit date: | 2016-02-22 | Release date: | 2016-10-26 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
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5I9B
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![BU of 5i9b by Molmil](/molmil-images/mine/5i9b) | Caspase 3 V266A | 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: | 2016-02-19 | Release date: | 2016-10-26 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
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5IBC
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![BU of 5ibc by Molmil](/molmil-images/mine/5ibc) | Caspase 3 V266I | 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: | 2016-02-22 | Release date: | 2016-10-26 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
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5I9T
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![BU of 5i9t by Molmil](/molmil-images/mine/5i9t) | Caspase 3 V266C | Descriptor: | ACE-ASP-GLU-VAL-ASK, ACETATE ION, Caspase-3 | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | Deposit date: | 2016-02-20 | Release date: | 2016-10-26 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
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5IAR
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![BU of 5iar by Molmil](/molmil-images/mine/5iar) | Caspase 3 V266W | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACE-ASP-GLU-VAL-ASK, 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 (1.76 Å) | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
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3ITN
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![BU of 3itn by Molmil](/molmil-images/mine/3itn) | Crystal structure of Pseudo-activated Procaspase-3 | Descriptor: | ACETYL-ASP-GLU-VAL-ASP-CHLOROMETHYL KETONE inhibitor, Caspase-3 | Authors: | Walters, J, Pop, C, Scott, F.L, Drag, M, Swartz, P.D, Mattos, C, Salvesen, G.S, Clark, A.C. | Deposit date: | 2009-08-28 | Release date: | 2010-03-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | A constitutively active and uninhibitable caspase-3 zymogen efficiently induces apoptosis. Biochem.J., 424, 2009
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5IAN
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![BU of 5ian by Molmil](/molmil-images/mine/5ian) | Caspase 3 V266N | Descriptor: | ACE-ASP-GLU-VAL-ASK, Caspase-3, LEU-SER-SER, ... | 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 (2.7 Å) | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
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5IAE
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![BU of 5iae by Molmil](/molmil-images/mine/5iae) | Caspase 3 V266F | Descriptor: | ACE-ASP-GLU-VAL-ASK, ACETATE ION, CHLORIDE 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 (1.55 Å) | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
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5IBR
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![BU of 5ibr by Molmil](/molmil-images/mine/5ibr) | Caspase 3 V266K | Descriptor: | ACE-ASP-GLU-VAL-ASK, Caspase-3 | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | Deposit date: | 2016-02-22 | Release date: | 2016-10-26 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
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5IAG
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![BU of 5iag by Molmil](/molmil-images/mine/5iag) | 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
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4EHA
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![BU of 4eha by Molmil](/molmil-images/mine/4eha) | Allosteric Modulation of Caspase-3 through Mutagenesis | Descriptor: | ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3 | Authors: | Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C. | Deposit date: | 2012-04-02 | Release date: | 2012-06-06 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.696 Å) | Cite: | Allosteric modulation of caspase 3 through mutagenesis. Biosci.Rep., 32, 2012
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4EHH
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![BU of 4ehh by Molmil](/molmil-images/mine/4ehh) | Allosteric Modulation of Caspase-3 through Mutagenesis | Descriptor: | ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3 | Authors: | Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C. | Deposit date: | 2012-04-02 | Release date: | 2012-06-06 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Allosteric modulation of caspase 3 through mutagenesis. Biosci.Rep., 32, 2012
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5JFT
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![BU of 5jft by Molmil](/molmil-images/mine/5jft) | Zebra Fish Caspase-3 | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACE-ASP-GLU-VAL-ASK, ... | Authors: | Tucker, M.B, MacKenzie, S.H, Maciag, J.J, Dirscherl, H, Swartz, P.D, Yoder, J.A, Hamilton, P.T, Clark, A.C. | Deposit date: | 2016-04-19 | Release date: | 2016-10-26 | Last modified: | 2016-11-02 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Phage display and structural studies reveal plasticity in substrate specificity of caspase-3a from zebrafish. Protein Sci., 25, 2016
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4EHN
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![BU of 4ehn by Molmil](/molmil-images/mine/4ehn) | Allosteric Modulation of Caspase-3 through Mutagenesis | Descriptor: | ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3 | Authors: | Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C. | Deposit date: | 2012-04-02 | Release date: | 2012-06-06 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Allosteric modulation of caspase 3 through mutagenesis. Biosci.Rep., 32, 2012
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4EHF
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![BU of 4ehf by Molmil](/molmil-images/mine/4ehf) | Allosteric Modulation of Caspase-3 through Mutagenesis | Descriptor: | ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3 | Authors: | Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C. | Deposit date: | 2012-04-02 | Release date: | 2012-06-06 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.655 Å) | Cite: | Allosteric modulation of caspase 3 through mutagenesis. Biosci.Rep., 32, 2012
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4EHK
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![BU of 4ehk by Molmil](/molmil-images/mine/4ehk) | Allosteric Modulation of Caspase-3 through Mutagenesis | Descriptor: | ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3 | Authors: | Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C. | Deposit date: | 2012-04-02 | Release date: | 2012-06-06 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.668 Å) | Cite: | Allosteric modulation of caspase 3 through mutagenesis. Biosci.Rep., 32, 2012
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5IAS
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![BU of 5ias by Molmil](/molmil-images/mine/5ias) | 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
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5IAK
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![BU of 5iak by Molmil](/molmil-images/mine/5iak) | 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
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4EHL
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![BU of 4ehl by Molmil](/molmil-images/mine/4ehl) | Allosteric Modulation of Caspase-3 through Mutagenesis | Descriptor: | ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3 | Authors: | Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C. | Deposit date: | 2012-04-02 | Release date: | 2012-06-06 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.799 Å) | Cite: | Allosteric modulation of caspase 3 through mutagenesis. Biosci.Rep., 32, 2012
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4J62
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![BU of 4j62 by Molmil](/molmil-images/mine/4j62) | |
4J69
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![BU of 4j69 by Molmil](/molmil-images/mine/4j69) | Crystal structure of Ribonuclease A soaked in 50% S,R,S-bisfuranol: One of twelve in MSCS set | Descriptor: | (3S,3aR,6aS)-hexahydrofuro[2,3-b]furan-3-ol, Ribonuclease pancreatic, SULFATE ION | Authors: | Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C. | Deposit date: | 2013-02-11 | Release date: | 2014-01-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.892 Å) | Cite: | DRoP: A program for analysis of water structure on protein surfaces to be published
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