6US7
| Barrier-to-autointegration factor soaked in TMAO: 1 of 14 in MSCS set | Descriptor: | Barrier-to-autointegration factor, ETHANOL | Authors: | Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C. | Deposit date: | 2019-10-24 | Release date: | 2020-10-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.653 Å) | Cite: | Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor. Acta Crystallogr D Struct Biol, 76, 2020
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6URL
| Barrier-to-autointegration factor soaked in isopropanol: 1 of 14 in MSCS set | Descriptor: | Barrier-to-autointegration factor, ETHANOL | Authors: | Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C. | Deposit date: | 2019-10-23 | Release date: | 2020-10-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor. Acta Crystallogr D Struct Biol, 76, 2020
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6URR
| Barrier-to-autointegration factor soaked in Dioxane: 1 of 14 in MSCS set | Descriptor: | Barrier-to-autointegration factor, ETHANOL | Authors: | Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C. | Deposit date: | 2019-10-24 | Release date: | 2020-10-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor. Acta Crystallogr D Struct Biol, 76, 2020
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6USI
| Barrier-to-autointegration factor soaked in 1,6-hexanediol: 1 of 14 in MSCS set | Descriptor: | Barrier-to-autointegration factor, ETHANOL | Authors: | Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C. | Deposit date: | 2019-10-26 | Release date: | 2020-10-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.653 Å) | Cite: | Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor. Acta Crystallogr D Struct Biol, 76, 2020
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6URZ
| Barrier-to-autointegration factor soaked in methanol: 1 of 14 in MSCS set | Descriptor: | Barrier-to-autointegration factor, ETHANOL, METHANOL | Authors: | Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C. | Deposit date: | 2019-10-24 | Release date: | 2020-10-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.653 Å) | Cite: | Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor. Acta Crystallogr D Struct Biol, 76, 2020
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6URN
| Barrier-to-autointegration factor t-butanol: 1 of 14 in MSCS set | Descriptor: | Barrier-to-autointegration factor, ETHANOL | Authors: | Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C. | Deposit date: | 2019-10-23 | Release date: | 2020-10-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor. Acta Crystallogr D Struct Biol, 76, 2020
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6US0
| Barrier-to-autointegration factor soaked in R,S,R-bisfuranol (RSR): 1 of 14 in MSCS set | Descriptor: | Barrier-to-autointegration factor, ETHANOL | Authors: | Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C. | Deposit date: | 2019-10-24 | Release date: | 2020-10-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.653 Å) | Cite: | Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor. Acta Crystallogr D Struct Biol, 76, 2020
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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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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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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
| 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
| 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
| 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
| 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
| 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
| 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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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
| 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
| 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
| 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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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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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
| 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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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
| 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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