3R7S
 
 | | Crystal Structure of Apo Caspase2 | | Descriptor: | Caspase-2 subunit p12, Caspase-2 subunit p18 | | Authors: | Tang, Y, Wells, J, Arkin, M. | | Deposit date: | 2011-03-22 | | Release date: | 2011-07-27 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.252 Å) | | Cite: | Structural and enzymatic insights into caspase-2 protein substrate recognition and catalysis.
J.Biol.Chem., 286, 2011
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6DEZ
 | | Anti-phosphotyrosine antibody PY20-4D5 Fab complexed with sulfate | | Descriptor: | Anti-phosphotyrosine antibody PY20-4D5 heavy chain, Anti-phosphotyrosine antibody PY20-4D5 light chain, SULFATE ION | | Authors: | Mou, K, Leung, K, Wells, J.A. | | Deposit date: | 2018-05-13 | | Release date: | 2018-11-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Engineering Improved Antiphosphotyrosine Antibodies Based on an Immunoconvergent Binding Motif.
J. Am. Chem. Soc., 140, 2018
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3R5J
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3R6L
 | | Caspase-2 T380A bound with Ac-VDVAD-CHO | | Descriptor: | Caspase-2 subunit p12, Caspase-2 subunit p18, Peptide Inhibitor (ACE)VDVAD-CHO | | Authors: | Tang, Y, Wells, J, Arkin, M. | | Deposit date: | 2011-03-21 | | Release date: | 2011-07-27 | | Last modified: | 2012-12-12 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and enzymatic insights into caspase-2 protein substrate recognition and catalysis.
J.Biol.Chem., 286, 2011
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3R7B
 | | Caspase-2 bound to one copy of Ac-DVAD-CHO | | Descriptor: | Caspase-2 subunit p12, Caspase-2 subunit p18, Peptide Inhibitor (ACE)DVAD-CHO | | Authors: | Tang, Y, Wells, J, Arkin, M. | | Deposit date: | 2011-03-22 | | Release date: | 2011-07-27 | | Last modified: | 2012-12-12 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and enzymatic insights into caspase-2 protein substrate recognition and catalysis.
J.Biol.Chem., 286, 2011
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3R7N
 | | Caspase-2 bound with two copies of Ac-DVAD-CHO | | Descriptor: | Caspase-2 subunit p12, Caspase-2 subunit p18, Peptide Inhibitor (ACE)DVAD-CHO | | Authors: | Tang, Y, Wells, J, Arkin, M. | | Deposit date: | 2011-03-22 | | Release date: | 2011-07-27 | | Last modified: | 2012-12-12 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Structural and enzymatic insights into caspase-2 protein substrate recognition and catalysis.
J.Biol.Chem., 286, 2011
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3ORZ
 | | PDK1 mutant bound to allosteric disulfide fragment activator 2A2 | | Descriptor: | 3-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-2,5-DIONE, 3-phosphoinositide-dependent protein kinase 1, 4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutane-1-thiol | | Authors: | Sadowsky, J.D, Wells, J.A. | | Deposit date: | 2010-09-08 | | Release date: | 2011-03-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9995 Å) | | Cite: | Turning a protein kinase on or off from a single allosteric site via disulfide trapping.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3ORX
 | | PDK1 mutant bound to allosteric disulfide fragment inhibitor 1F8 | | Descriptor: | 2-methyl-N-(2-sulfanylethyl)-1-benzofuran-3-carboxamide, 3-phosphoinositide-dependent protein kinase 1, CHLORIDE ION | | Authors: | Sadowsky, J.D, Wells, J.A. | | Deposit date: | 2010-09-08 | | Release date: | 2011-03-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2044 Å) | | Cite: | Turning a protein kinase on or off from a single allosteric site via disulfide trapping.
Proc.Natl.Acad.Sci.USA, 108, 2011
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1M4C
 | | Crystal Structure of Human Interleukin-2 | | Descriptor: | interleukin-2 | | Authors: | Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C. | | Deposit date: | 2002-07-02 | | Release date: | 2002-07-31 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Binding of small molecules to an adaptive
protein-protein interface
Proc.Natl.Acad.Sci.USA, 100, 2003
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1M48
 | | Crystal Structure of Human IL-2 Complexed with (R)-N-[2-[1-(Aminoiminomethyl)-3-piperidinyl]-1-oxoethyl]-4-(phenylethynyl)-L-phenylalanine methyl ester | | Descriptor: | 2-[3-METHYL-4-(N-METHYL-GUANIDINO)-BUTYRYLAMINO]-3-(4-PHENYLETHYNYL-PHENYL)-PROPIONIC ACID METHYL ESTER, interleukin-2 | | Authors: | Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C. | | Deposit date: | 2002-07-02 | | Release date: | 2002-07-31 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Binding of small molecules to an adaptive
protein-protein interface
Proc.Natl.Acad.Sci.USA, 100, 2003
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1M49
 | | Crystal Structure of Human Interleukin-2 Complexed with SP-1985 | | Descriptor: | 2-[2-(1-CARBAMIMIDOYL-PIPERIDIN-3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL-1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER, interleukin-2 | | Authors: | Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C. | | Deposit date: | 2002-07-02 | | Release date: | 2002-07-31 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Binding of small molecules to an adaptive
protein-protein interface
Proc.Natl.Acad.Sci.USA, 100, 2003
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3OTU
 | | PDK1 mutant bound to allosteric disulfide fragment activator JS30 | | Descriptor: | 3-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-2,5-DIONE, 3-phosphoinositide-dependent protein kinase 1, 4-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-4-oxobutane-1-thiol, ... | | Authors: | Sadowsky, J.D, Wells, J.A. | | Deposit date: | 2010-09-13 | | Release date: | 2011-03-23 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.1013 Å) | | Cite: | Turning a protein kinase on or off from a single allosteric site via disulfide trapping.
Proc.Natl.Acad.Sci.USA, 108, 2011
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1M4A
 | | Crystal Structure of Human Interleukin-2 Y31C Covalently Modified at C31 with (1H-Indol-3-yl)-(2-mercapto-ethoxyimino)-acetic acid | | Descriptor: | (1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-ACETIC ACID, GLYCEROL, interleukin-2 | | Authors: | Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C. | | Deposit date: | 2002-07-02 | | Release date: | 2002-07-31 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Binding of small molecules to an adaptive
protein-protein interface
Proc.Natl.Acad.Sci.USA, 100, 2003
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1M4B
 | | Crystal Structure of Human Interleukin-2 K43C Covalently Modified at C43 with 2-[2-(2-Cyclohexyl-2-guanidino-acetylamino)-acetylamino]-N-(3-mercapto-propyl)-propionamide | | Descriptor: | 2-[2-(2-CYCLOHEXYL-2-GUANIDINO-ACETYLAMINO)-ACETYLAMINO]-N-(3-MERCAPTO-PROPYL)-PROPIONAMIDE, interleukin-2 | | Authors: | Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C. | | Deposit date: | 2002-07-02 | | Release date: | 2002-07-31 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Binding of small molecules to an adaptive
protein-protein interface
Proc.Natl.Acad.Sci.USA, 100, 2003
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5QDI
 | | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000157a | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-(2-phenylethyl)methanesulfonamide, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | 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. | | Deposit date: | 2018-08-30 | | Release date: | 2018-10-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.623 Å) | | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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5QDW
 | | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000465a | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-methoxy-N-[(1R)-1-phenylethyl]acetamide, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | 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. | | Deposit date: | 2018-08-30 | | Release date: | 2018-10-10 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.212 Å) | | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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5QED
 | | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000538a | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-chloranyl-~{N}-methyl-pyridine-2-carboxamide, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | 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. | | Deposit date: | 2018-08-30 | | Release date: | 2018-10-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.755 Å) | | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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5QDQ
 | | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_XST00000847b | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N,N-dimethylpyridin-4-amine, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | 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. | | Deposit date: | 2018-08-30 | | Release date: | 2018-10-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.575 Å) | | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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5QE7
 | | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000601a | | Descriptor: | 1-(3,4-dimethoxyphenyl)methanamine, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | 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. | | Deposit date: | 2018-08-30 | | Release date: | 2018-10-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.713 Å) | | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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5QEN
 | | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMSOA000955b | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol | | Authors: | 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. | | Deposit date: | 2018-08-30 | | Release date: | 2018-10-10 | | Last modified: | 2019-02-06 | | Method: | X-RAY DIFFRACTION (1.775 Å) | | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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5QEV
 | | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_XST00000603b | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(4-chlorophenyl)-1H-pyrazol-5-amine, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | 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. | | Deposit date: | 2018-08-30 | | Release date: | 2018-10-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.723 Å) | | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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5QFC
 | | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOMB000140a | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-[(thiophen-2-yl)methyl]benzenesulfonamide, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | 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. | | Deposit date: | 2018-08-30 | | Release date: | 2018-10-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.841 Å) | | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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5QFV
 | | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOOA000491a | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-[(1S,2S,3S,4R)-3-hydroxy-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-2-yl]cyclobutanecarboxamide, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | 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. | | Deposit date: | 2018-08-30 | | Release date: | 2018-10-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.641 Å) | | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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5QGA
 | | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOOA000540a | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[(4R)-4-hydroxy-1,1-dioxo-3,4-dihydro-1lambda~6~,2-benzothiazin-2(1H)-yl]acetamide, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | 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. | | Deposit date: | 2018-08-30 | | Release date: | 2018-10-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.653 Å) | | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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5QF5
 | | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMSOA001440b | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-methyl-1-benzofuran-2-carboxylic acid, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | 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. | | Deposit date: | 2018-08-30 | | Release date: | 2018-10-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.725 Å) | | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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