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4Z37
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BU of 4z37 by Molmil
Structure of the ketosynthase of module 2 of C0ZGQ5 (trans-AT PKS) from Brevibacillus brevis
Descriptor: Putative mixed polyketide synthase/non-ribosomal peptide synthetase
Authors:Martin, S.F, Jakob, R.P, Herbst, D.A, Maier, T.
Deposit date:2015-03-31
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:The structural organization of trans-AT polyketide synthases: ketoacyl synthase and trans-acting enoyl reductase
To Be Published
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
4Z38
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BU of 4z38 by Molmil
Crystal structure of enoyl reductase domain of MlnA from the macrolactin biosynthesis cluster from Bacillus amyloliquefaciens
Descriptor: FLAVIN MONONUCLEOTIDE, MlnA
Authors:Jakob, R.P, Martin, S.F, Herbst, D.A, Maier, T.
Deposit date:2015-03-31
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structural organization of trans-AT polyketide synthases: ketoacyl synthase and trans-acting enoyl reductase
To Be Published
2FFZ
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BU of 2ffz by Molmil
Structural Studies Examining the Substrate Specificity Profiles of PC-PLCBc Protein Variants
Descriptor: Phospholipase C, ZINC ION
Authors:Benfield, A.B, Antikainen, N.M, Martin, S.F.
Deposit date:2005-12-20
Release date:2006-03-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural studies examining the substrate specificity profiles of PC-PLC(Bc) protein variants.
Arch.Biochem.Biophys., 460, 2007
2FGN
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BU of 2fgn by Molmil
Structural Studies Examining the Substrate Specificity Profiles of PC-PLCBc Protein Variants
Descriptor: Phospholipase C, ZINC ION
Authors:Benfield, A.P, Martin, S.F.
Deposit date:2005-12-22
Release date:2006-03-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural studies examining the substrate specificity profiles of PC-PLC(Bc) protein variants.
Arch.Biochem.Biophys., 460, 2007
1IS0
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BU of 1is0 by Molmil
Crystal Structure of a Complex of the Src SH2 Domain with Conformationally Constrained Peptide Inhibitor
Descriptor: AY0 GLU GLU ILE peptide, Tyrosine-protein kinase transforming protein SRC
Authors:Davidson, J.P, Lubman, O, Rose, T, Waksman, G, Martin, S.F.
Deposit date:2001-11-02
Release date:2002-02-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Calorimetric and structural studies of 1,2,3-trisubstituted cyclopropanes as conformationally constrained peptide inhibitors of Src SH2 domain binding.
J.Am.Chem.Soc., 124, 2002
1P6D
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BU of 1p6d by Molmil
STRUCTURE OF THE D55N MUTANT OF PHOSPHOLIPASE C FROM BACILLUS CEREUS IN COMPLEX WITH (3S)-3,4,DI-N-HEXANOYLOXYBUTYL-1-PHOSPHOCHOLINE
Descriptor: (3S)-3,4-DI-N-HEXANOYLOXYBUTYL-1-PHOSPHOCHOLINE, PHOSPHOLIPASE C, ZINC ION
Authors:Antikainen, N.M, Monzingo, A.F, Franklin, C.L, Robertus, J.D, Martin, S.F.
Deposit date:2003-04-29
Release date:2003-09-30
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Using X-ray crystallography of the Asp55Asn mutant of the phosphatidylcholine-preferring phospholipase C from Bacillus cereus to support the mechanistic role of Asp55 as the general base.
Arch.Biochem.Biophys., 417, 2003
1P5X
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BU of 1p5x by Molmil
STRUCTURE OF THE D55N MUTANT OF PHOSPHOLIPASE C FROM BACILLUS CEREUS
Descriptor: Phospholipase C, ZINC ION
Authors:Antikainen, N.M, Monzingo, A.F, Franklin, C.L, Robertus, J.D, Martin, S.F.
Deposit date:2003-04-28
Release date:2003-09-30
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Using X-ray crystallography of the Asp55Asn mutant of the phosphatidylcholine-preferring phospholipase C from Bacillus cereus to support the mechanistic role of Asp55 as the general base.
Arch.Biochem.Biophys., 417, 2003
1P6E
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BU of 1p6e by Molmil
STRUCTURE OF THE D55N MUTANT OF PHOSPHOLIPASE C FROM BACILLUS CEREUS IN COMPLEX WITH 1,2-DI-N-PENTANOYL-SN-GLYCERO-3-DITHIOPHOSPHOCHOLINE
Descriptor: 1,2-DI-N-PENTANOYL-SN-GLYCERO-3-DITHIOPHOSPHOCHOLINE, Phospholipase C, ZINC ION
Authors:Antikainen, N.M, Monzingo, A.F, Franklin, C.L, Robertus, J.D, Martin, S.F.
Deposit date:2003-04-29
Release date:2003-09-30
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Using X-ray crystallography of the Asp55Asn mutant of the phosphatidylcholine-preferring phospholipase C from Bacillus cereus to support the mechanistic role of Asp55 as the general base.
Arch.Biochem.Biophys., 417, 2003
3C7I
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BU of 3c7i by Molmil
X-RAY crystal structure of the complex between the grb2-sh2 domain and a flexible ligand, FPTVN.
Descriptor: FORMIC ACID, Growth factor receptor-bound protein 2, N-{(2R)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-valyl-L-aspartamide
Authors:Benfield, A.P, Martin, S.F.
Deposit date:2008-02-07
Release date:2008-08-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Ligand Preorganization May be Accompanied by Entropic Penalties in Protein-Ligand Interactions.
Angew.Chem.Int.Ed.Engl., 118, 2006
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
2HUC
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BU of 2huc by Molmil
Structural Studies Examining the Substrate Specificity Profiles of PC-PLCBc Protein Variants
Descriptor: Phospholipase C, ZINC ION
Authors:Benfield, A.P, Martin, S.F, Antikainen, N.M.
Deposit date:2006-07-26
Release date:2006-08-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural studies examining the substrate specificity profiles of PC-PLC(Bc) protein variants.
Arch.Biochem.Biophys., 460, 2007
2HUW
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BU of 2huw by Molmil
X-ray crystal structure of the Grb2 SH2 domain complexed to a constrained and cyclopropane-derived ligand
Descriptor: Growth factor receptor-bound protein 2, N-({(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-L-valyl-L-aspartamide, PHOSPHATE ION
Authors:Benfield, A.P, Martin, S.F.
Deposit date:2006-07-27
Release date:2006-08-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Ligand Preorganization May Be Accompanied by Entropic Penalties in Protein-Ligand Interactions.
Angew.Chem.Int.Ed.Engl., 45, 2006
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
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
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
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
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
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
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
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

 

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