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4P9Z
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BU of 4p9z by Molmil
Grb2 SH2 complexed with a pTyr-Ac6c-Asn tripeptide
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Clements, J.H, Martin, S.F.
Deposit date:2014-04-06
Release date:2014-06-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Protein-ligand interactions: Probing the energetics of a putative cation-pi interaction.
Bioorg.Med.Chem.Lett., 24, 2014
4P9V
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BU of 4p9v by Molmil
Grb2 SH2 complexed with a pTyr-Ac6cN-Asn tripeptide
Descriptor: CHLORIDE ION, Growth factor receptor-bound protein 2, PHQ-PTR-02K-ASN-NH2
Authors:Clements, J.H, Martin, S.F.
Deposit date:2014-04-06
Release date:2014-06-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Protein-ligand interactions: Probing the energetics of a putative cation-pi interaction.
Bioorg.Med.Chem.Lett., 24, 2014
3IMJ
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BU of 3imj by Molmil
Crystal Structure of the Grb2 SH2 Domain in Complex with a Cyclopropyl-constrained Ac-pTyr-Ile-Asn-NH2 Tripeptide Mimic
Descriptor: (1R,2S,3R,1S',1S")Phosphoric acid mono(4-{2-[1-(1,2-dicarbamoylethylcarbamoyl)-3-carbamoylpropylcarbamoyl]-3-methylcarbamoylcyclopropyl}phenyl) ester, Growth factor receptor-bound protein 2
Authors:Clements, J.H.
Deposit date:2009-08-10
Release date:2009-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Thermodynamic and Structural Effects of Conformational Constraints in Protein-Ligand Interactions. Entropic Paradoxy Associated with Ligand Preorganization.
J.Am.Chem.Soc., 131, 2009
3IN7
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BU of 3in7 by Molmil
Crystal Structure of the Grb2 SH2 Domain in Complex with a Cyclopropyl-constrained Ac-pY-Q-N-NH2 Tripeptide Mimic
Descriptor: Growth factor receptor-bound protein 2, N~2~-({(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-D-glutaminyl-D-aspartamide
Authors:Clements, J.H.
Deposit date:2009-08-11
Release date:2009-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Thermodynamic and Structural Effects of Conformational Constraints in Protein-Ligand Interactions. Entropic Paradoxy Associated with Ligand Preorganization.
J.Am.Chem.Soc., 131, 2009
3IMD
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BU of 3imd by Molmil
Crystal Structure of the Grb2 SH2 Domain in Complex with a Flexible Ac-pY-Q-N-NH2 Tripeptide Mimic
Descriptor: CHLORIDE ION, Growth factor receptor-bound protein 2, MAGNESIUM ION, ...
Authors:Clements, J.H.
Deposit date:2009-08-10
Release date:2009-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Thermodynamic and Structural Effects of Conformational Constraints in Protein-Ligand Interactions. Entropic Paradoxy Associated with Ligand Preorganization.
J.Am.Chem.Soc., 131, 2009
3OV1
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BU of 3ov1 by Molmil
Crystal Structure of the Grb2 SH2 Domain in Complex with a pYXN-Derived Tripeptide
Descriptor: FORMIC ACID, GLYCEROL, Growth factor receptor-bound protein 2, ...
Authors:Clements, J.H, Martin, S.F.
Deposit date:2010-09-15
Release date:2011-11-02
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Protein-ligand interactions: thermodynamic effects associated with increasing nonpolar surface area.
J.Am.Chem.Soc., 133, 2011
3OVE
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BU of 3ove by Molmil
Crystal Structure of the Grb2 SH2 Domain in Complex with a pYXN-Derived Tripeptide
Descriptor: CHLORIDE ION, Growth factor receptor-bound protein 2, PYAC7CN
Authors:Clements, J.H, Martin, S.F.
Deposit date:2010-09-16
Release date:2011-11-02
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Protein-ligand interactions: thermodynamic effects associated with increasing nonpolar surface area.
J.Am.Chem.Soc., 133, 2011
3S8N
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BU of 3s8n by Molmil
Crystal Structure of the Grb2 SH2 Domain in Complex with a pYXN-Derived Tripeptide
Descriptor: CHLORIDE ION, GLYCEROL, Growth factor receptor-bound protein 2, ...
Authors:Clements, J.H, Stephen, F.M.
Deposit date:2011-05-29
Release date:2011-11-02
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Protein-ligand interactions: thermodynamic effects associated with increasing nonpolar surface area.
J.Am.Chem.Soc., 133, 2011
3S8L
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BU of 3s8l by Molmil
Protein-Ligand Interactions: Thermodynamic Effects Associated with Increasing Hydrophobic Surface Area
Descriptor: CHLORIDE ION, GLYCEROL, Growth factor receptor-bound protein 2, ...
Authors:Clements, J.H, Stephen, F.M.
Deposit date:2011-05-29
Release date:2011-11-02
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Protein-ligand interactions: thermodynamic effects associated with increasing nonpolar surface area.
J.Am.Chem.Soc., 133, 2011
3S8O
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BU of 3s8o by Molmil
Crystal Structure of the Grb2 SH2 Domain in Complex with a pYXN-Derived Tripeptide
Descriptor: CHLORIDE ION, Growth factor receptor-bound protein 2, SODIUM ION, ...
Authors:Clements, J.H, Stephen, F.M.
Deposit date:2011-05-29
Release date:2011-11-02
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Protein-ligand interactions: thermodynamic effects associated with increasing nonpolar surface area.
J.Am.Chem.Soc., 133, 2011
3KFJ
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BU of 3kfj by Molmil
Crystal Structure of the Grb2 SH2 Domain in Complex with a Flexible Ac-pY-E-N-NH2 Tripeptide Mimic
Descriptor: CHLORIDE ION, Growth factor receptor-bound protein 2, MAGNESIUM ION, ...
Authors:Clements, J.H.
Deposit date:2009-10-27
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Thermodynamic and structural effects of conformational constraints in protein-ligand interactions. Entropic paradoxy associated with ligand preorganization.
J.Am.Chem.Soc., 131, 2009
3N84
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BU of 3n84 by Molmil
Crystal Structure of the Grb2 SH2 Domain in Complex with a 23-Membered Macrocyclic Ligand Having the Sequence pYVNVP
Descriptor: 23-membered peptide-like macrocyclic ligand, CHLORIDE ION, GLYCEROL, ...
Authors:Clements, J.H, Martin, S.F.
Deposit date:2010-05-27
Release date:2011-01-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Thermodynamic and Structural Effects of Macrocyclization as a Constraining Method in Protein-Ligand Interactions.
ACS MED.CHEM.LETT., 1, 2010
6WM1
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BU of 6wm1 by Molmil
Crystal structure of the Grb2 SH2 domain in complex with a tripeptide: Ac-pY-Ac6c-N-phenylpropyl
Descriptor: ACE-PTR-02K-ASN-PRA, CALCIUM ION, CHLORIDE ION, ...
Authors:Martin, S.F, Clements, J.H.
Deposit date:2020-04-20
Release date:2020-09-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Some thermodynamic effects of varying nonpolar surfaces in protein-ligand interactions.
Eur.J.Med.Chem., 208, 2020
6WO2
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BU of 6wo2 by Molmil
Crystal Structure of the Grb2 SH2 Domain in Complex with a Tripeptide: Ac-pY-Ac6c-N-isohexyl
Descriptor: ACE-PTR-02K-ASN-U67, CALCIUM ION, Growth factor receptor-bound protein 2, ...
Authors:Martin, S.F, Clements, J.H.
Deposit date:2020-04-24
Release date:2020-09-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Some thermodynamic effects of varying nonpolar surfaces in protein-ligand interactions.
Eur.J.Med.Chem., 208, 2020
3IN8
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BU of 3in8 by Molmil
Crystal Structure of the Grb2 SH2 Domain in Complex with a Flexible Ac-pTyr-Ile-Asn-NH2 Tripeptide Mimic
Descriptor: FORMIC ACID, Growth factor receptor-bound protein 2, N-{(2S)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-isoleucyl-L-aspartamide
Authors:Benfield, A.P, Clements, J.H.
Deposit date:2009-08-11
Release date:2009-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Thermodynamic and Structural Effects of Conformational Constraints in Protein-Ligand Interactions. Entropic Paradoxy Associated with Ligand Preorganization.
J.Am.Chem.Soc., 131, 2009
3N7Y
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BU of 3n7y by Molmil
Crystal Structure of the Grb2 SH2 Domain in Complex with a 20-Membered Macrocyclic Ligand Having the Sequence pYVNV
Descriptor: 20-membered peptide-like macrocyclic ligand, Growth factor receptor-bound protein 2
Authors:Whiddon, B.B, Clements, J.H, Martin, S.F.
Deposit date:2010-05-27
Release date:2011-01-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Thermodynamic and Structural Effects of Macrocyclization as a Constraining Method in Protein-Ligand Interactions.
ACS MED.CHEM.LETT., 1, 2010
3N8M
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BU of 3n8m by Molmil
Crystal Structure of the Grb2 SH2 Domain in Complex with An Acyclic Ligand Having the Sequence pYVNVP
Descriptor: GLYCEROL, Growth factor receptor-bound protein 2, PEPTIDE
Authors:Whiddon, B.B, Clements, J.H, Martin, S.F.
Deposit date:2010-05-28
Release date:2010-12-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Thermodynamic and Structural Effects of Macrocyclization as a Constraining Method in Protein-Ligand Interactions.
ACS MED.CHEM.LETT., 1, 2010
2H5K
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BU of 2h5k by Molmil
Crystal Structure of Complex Between the Domain-Swapped Dimeric Grb2 SH2 Domain and Shc-Derived Ligand, Ac-NH-pTyr-Val-Asn-NH2
Descriptor: CACODYLATE ION, Growth factor receptor-bound protein 2, Shc-Derived Ligand
Authors:Benfield, A.P, Whiddon, B.B, Martin, S.F.
Deposit date:2006-05-26
Release date:2006-08-15
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structural and energetic aspects of Grb2-SH2 domain-swapping.
Arch.Biochem.Biophys., 462, 2007
2H46
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BU of 2h46 by Molmil
Native domain-swapped dimer crystal structure of the Grb2 SH2 domain
Descriptor: GLYCEROL, Growth Receptor Binding Protein 2
Authors:Benfield, A.P, Martin, S.F, Whiddon, B.B.
Deposit date:2006-05-23
Release date:2006-06-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and energetic aspects of Grb2-SH2 domain-swapping.
Arch.Biochem.Biophys., 462, 2007

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