6DF0
 
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6DEZ
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5IC6
 | | Crystal structure of caspase-7 DEVE peptide complex | | 分子名称: | Caspase-7 subunit p11, Caspase-7 subunit p20, DEVE peptide | | 著者 | Seaman, J.E, Julien, O, Lee, P.S, Rettenmaier, T.J, Thomsen, N.D, Wells, J.A. | | 登録日 | 2016-02-22 | | 公開日 | 2016-07-20 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Cacidases: caspases can cleave after aspartate, glutamate and phosphoserine residues.
Cell Death Differ., 23, 2016
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8GHR
 | | Structure of human ENPP1 in complex with variable heavy domain VH27.2 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE MONOPHOSPHATE, ... | | 著者 | Carozza, J.A, Wang, H, Solomon, P.E, Wells, J.A, Li, L. | | 登録日 | 2023-03-10 | | 公開日 | 2023-08-02 | | 最終更新日 | 2024-01-03 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Discovery of VH domains that allosterically inhibit ENPP1.
Nat.Chem.Biol., 20, 2024
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4XX9
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4RRV
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4RQV
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4RQK
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2FQQ
 | | Crystal structure of human caspase-1 (Cys285->Ala, Cys362->Ala, Cys364->Ala, Cys397->Ala) in complex with 1-methyl-3-trifluoromethyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid (2-mercapto-ethyl)-amide | | 分子名称: | 1-METHYL-3-TRIFLUOROMETHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID (2-MERCAPTO-ETHYL)-AMIDE, Caspase-1 | | 著者 | Scheer, J.M, Wells, J.A, Romanowski, M.J. | | 登録日 | 2006-01-18 | | 公開日 | 2006-05-16 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | A common allosteric site and mechanism in caspases
Proc.Natl.Acad.Sci.USA, 103, 2006
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5IC4
 | | Crystal structure of caspase-3 DEVE peptide complex | | 分子名称: | Caspase-3 subunit p12, Caspase-3 subunit p17, DEVE peptide | | 著者 | Seaman, J.E, Julien, O, Lee, P.S, Rettenmaier, T.J, Thomsen, N.D, Wells, J.A. | | 登録日 | 2016-02-22 | | 公開日 | 2016-07-20 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Cacidases: caspases can cleave after aspartate, glutamate and phosphoserine residues.
Cell Death Differ., 23, 2016
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1F4D
 | | CRYSTAL STRUCTURE OF E. COLI THYMIDYLATE SYNTHASE C146S, L143C COVALENTLY MODIFIED AT C143 WITH N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL | | 分子名称: | GLYCEROL, N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL, SULFATE ION, ... | | 著者 | Erlanson, D.A, Braisted, A.C, Raphael, D.R, Randal, M, Stroud, R.M, Gordon, E, Wells, J.A. | | 登録日 | 2000-06-07 | | 公開日 | 2000-06-22 | | 最終更新日 | 2021-11-03 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Site-directed ligand discovery.
Proc.Natl.Acad.Sci.USA, 97, 2000
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1F4F
 | | CRYSTAL STRUCTURE OF E. COLI THYMIDYLATE SYNTHASE COMPLEXED WITH SP-722 | | 分子名称: | 4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-SULFONYL-D-PROLINE, SULFATE ION, THYMIDYLATE SYNTHASE | | 著者 | Erlanson, D.A, Braisted, A.C, Raphael, D.R, Randal, M, Stroud, R.M, Gordon, E, Wells, J.A. | | 登録日 | 2000-06-07 | | 公開日 | 2000-06-22 | | 最終更新日 | 2021-11-03 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Site-directed ligand discovery.
Proc.Natl.Acad.Sci.USA, 97, 2000
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1F4B
 | | CRYSTAL STRUCTURE OF ESCHERICHIA COLI THYMIDYLATE SYNTHASE | | 分子名称: | GLYCEROL, SULFATE ION, THYMIDYLATE SYNTHASE | | 著者 | Erlanson, D.A, Braisted, A.C, Raphael, D.R, Randal, M, Stroud, R.M, Gordon, E, Wells, J.A. | | 登録日 | 2000-06-07 | | 公開日 | 2000-06-22 | | 最終更新日 | 2021-11-03 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Site-directed ligand discovery.
Proc.Natl.Acad.Sci.USA, 97, 2000
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1F4G
 | | CRYSTAL STRUCTURE OF E. COLI THYMIDYLATE SYNTHASE COMPLEXED WITH SP-876 | | 分子名称: | GLYCEROL, N-[4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-SULFONYL-D-PROLINYL]-3-AMINO-PROPANOIC ACID, SULFATE ION, ... | | 著者 | Erlanson, D.A, Braisted, A.C, Raphael, D.R, Randal, M, Stroud, R.M, Gordon, E, Wells, J.A. | | 登録日 | 2000-06-07 | | 公開日 | 2000-06-22 | | 最終更新日 | 2021-11-03 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Site-directed ligand discovery.
Proc.Natl.Acad.Sci.USA, 97, 2000
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1F4C
 | | CRYSTAL STRUCTURE OF E. COLI THYMIDYLATE SYNTHASE COVALENTLY MODIFIED AT C146 WITH N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL | | 分子名称: | GLYCEROL, N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL, SULFATE ION, ... | | 著者 | Erlanson, D.A, Braisted, A.C, Raphael, D.R, Randal, M, Stroud, R.M, Gordon, E, Wells, J.A. | | 登録日 | 2000-06-07 | | 公開日 | 2000-06-22 | | 最終更新日 | 2021-11-03 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Site-directed ligand discovery.
Proc.Natl.Acad.Sci.USA, 97, 2000
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1F4E
 | | CRYSTAL STRUCTURE OF E. COLI THYMIDYLATE SYNTHASE COMPLEXED WITH TOSYL-D-PROLINE | | 分子名称: | GLYCEROL, SULFATE ION, THYMIDYLATE SYNTHASE, ... | | 著者 | Erlanson, D.A, Braisted, A.C, Raphael, D.R, Randal, M, Stroud, R.M, Gordon, E, Wells, J.A. | | 登録日 | 2000-06-07 | | 公開日 | 2000-06-22 | | 最終更新日 | 2021-11-03 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Site-directed ligand discovery.
Proc.Natl.Acad.Sci.USA, 97, 2000
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1M47
 | | Crystal Structure of Human Interleukin-2 | | 分子名称: | SULFATE ION, interleukin-2 | | 著者 | Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, Wells, J.A, McDowell, R.S, Wells, J.A, Braisted, A.C. | | 登録日 | 2002-07-02 | | 公開日 | 2002-07-31 | | 最終更新日 | 2017-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Binding of small molecules to an adaptive protein-protein interface.
Proc.Natl.Acad.Sci.USA, 100, 2003
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6B8Z
 | | Multiconformer model of WT PTP1B with BB3 at 273 K | | 分子名称: | 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID [4-(THIAZOL-2-YLSULFAMOYL)-PHENYL]-AMIDE, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | | 登録日 | 2017-10-09 | | 公開日 | 2018-06-20 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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6B90
 | | Multiconformer model of apo WT PTP1B with glycerol at 100 K (ALTERNATIVE REFINEMENT OF PDB 1SUG showing conformational heterogeneity) | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | | 登録日 | 2017-10-09 | | 公開日 | 2018-06-20 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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6B8X
 | | Multiconformer model of apo WT PTP1B with glycerol at 278 K | | 分子名称: | GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | | 登録日 | 2017-10-09 | | 公開日 | 2018-06-20 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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6B8T
 | | Multiconformer model of apo WT PTP1B with glycerol at 240 K | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | | 登録日 | 2017-10-09 | | 公開日 | 2018-06-20 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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6BAI
 | | Multiconformer model of apo K197C PTP1B at 100 K | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | | 登録日 | 2017-10-12 | | 公開日 | 2018-06-20 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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6B8E
 | | Multiconformer model of apo WT PTP1B with glycerol at 180 K | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | | 登録日 | 2017-10-06 | | 公開日 | 2018-06-20 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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6B95
 | | Multiconformer model of K197C PTP1B tethered to compound 2 at 100 K | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-(2',4'-difluoro-4-hydroxy[1,1'-biphenyl]-3-yl)-2-sulfanylacetamide, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | | 登録日 | 2017-10-10 | | 公開日 | 2018-06-20 | | 最終更新日 | 2022-03-23 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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1SHJ
 | | Caspase-7 in complex with DICA allosteric inhibitor | | 分子名称: | 2-(2,4-DICHLORO-PHENOXY)-N-(2-MERCAPTO-ETHYL)-ACETAMIDE, Caspase-7, SULFATE ION | | 著者 | Hardy, J.A, Lam, J, Nguyen, J.T, O'Brien, T, Wells, J.A. | | 登録日 | 2004-02-25 | | 公開日 | 2004-08-17 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Discovery of an allosteric site in the caspases
Proc.Natl.Acad.Sci.USA, 101, 2004
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