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Structure of the ketosynthase of module 2 of C0ZGQ5 (trans-AT PKS) from Brevibacillus brevis
分子名称:	Putative mixed polyketide synthase/non-ribosomal peptide synthetase
著者	Martin, S.F, Jakob, R.P, Herbst, D.A, Maier, T.
登録日	2015-03-31
公開日	2016-04-13
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (1.998 Å)
主引用文献	The structural organization of trans-AT polyketide synthases: ketoacyl synthase and trans-acting enoyl reductase To Be Published

6WM1

Crystal structure of the Grb2 SH2 domain in complex with a tripeptide: Ac-pY-Ac6c-N-phenylpropyl
分子名称:	ACE-PTR-02K-ASN-PRA, CALCIUM ION, CHLORIDE ION, ...
著者	Martin, S.F, Clements, J.H.
登録日	2020-04-20
公開日	2020-09-02
最終更新日	2024-10-23
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	Some thermodynamic effects of varying nonpolar surfaces in protein-ligand interactions. Eur.J.Med.Chem., 208, 2020

6WO2

Crystal Structure of the Grb2 SH2 Domain in Complex with a Tripeptide: Ac-pY-Ac6c-N-isohexyl
分子名称:	ACE-PTR-02K-ASN-U67, CALCIUM ION, Growth factor receptor-bound protein 2, ...
著者	Martin, S.F, Clements, J.H.
登録日	2020-04-24
公開日	2020-09-02
最終更新日	2023-11-15
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	Some thermodynamic effects of varying nonpolar surfaces in protein-ligand interactions. Eur.J.Med.Chem., 208, 2020

4Z38

Crystal structure of enoyl reductase domain of MlnA from the macrolactin biosynthesis cluster from Bacillus amyloliquefaciens
分子名称:	FLAVIN MONONUCLEOTIDE, MlnA
著者	Jakob, R.P, Martin, S.F, Herbst, D.A, Maier, T.
登録日	2015-03-31
公開日	2016-04-13
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (2.8 Å)
主引用文献	The structural organization of trans-AT polyketide synthases: ketoacyl synthase and trans-acting enoyl reductase To Be Published

3N7Y

Crystal Structure of the Grb2 SH2 Domain in Complex with a 20-Membered Macrocyclic Ligand Having the Sequence pYVNV
分子名称:	20-membered peptide-like macrocyclic ligand, Growth factor receptor-bound protein 2
著者	Whiddon, B.B, Clements, J.H, Martin, S.F.
登録日	2010-05-27
公開日	2011-01-12
最終更新日	2024-10-16
実験手法	X-RAY DIFFRACTION (2.02 Å)
主引用文献	Thermodynamic and Structural Effects of Macrocyclization as a Constraining Method in Protein-Ligand Interactions. ACS MED.CHEM.LETT., 1, 2010

1IS0

Crystal Structure of a Complex of the Src SH2 Domain with Conformationally Constrained Peptide Inhibitor
分子名称:	AY0 GLU GLU ILE peptide, Tyrosine-protein kinase transforming protein SRC
著者	Davidson, J.P, Lubman, O, Rose, T, Waksman, G, Martin, S.F.
登録日	2001-11-02
公開日	2002-02-06
最終更新日	2024-10-16
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	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

3N84

Crystal Structure of the Grb2 SH2 Domain in Complex with a 23-Membered Macrocyclic Ligand Having the Sequence pYVNVP
分子名称:	23-membered peptide-like macrocyclic ligand, CHLORIDE ION, GLYCEROL, ...
著者	Clements, J.H, Martin, S.F.
登録日	2010-05-27
公開日	2011-01-12
最終更新日	2024-10-16
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	Thermodynamic and Structural Effects of Macrocyclization as a Constraining Method in Protein-Ligand Interactions. ACS MED.CHEM.LETT., 1, 2010

3N8M

Crystal Structure of the Grb2 SH2 Domain in Complex with An Acyclic Ligand Having the Sequence pYVNVP
分子名称:	GLYCEROL, Growth factor receptor-bound protein 2, PEPTIDE
著者	Whiddon, B.B, Clements, J.H, Martin, S.F.
登録日	2010-05-28
公開日	2010-12-15
最終更新日	2023-11-22
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	Thermodynamic and Structural Effects of Macrocyclization as a Constraining Method in Protein-Ligand Interactions. ACS MED.CHEM.LETT., 1, 2010

3OV1

Crystal Structure of the Grb2 SH2 Domain in Complex with a pYXN-Derived Tripeptide
分子名称:	FORMIC ACID, GLYCEROL, Growth factor receptor-bound protein 2, ...
著者	Clements, J.H, Martin, S.F.
登録日	2010-09-15
公開日	2011-11-02
最終更新日	2023-12-06
実験手法	X-RAY DIFFRACTION (1.6 Å)
主引用文献	Protein-ligand interactions: thermodynamic effects associated with increasing nonpolar surface area. J.Am.Chem.Soc., 133, 2011

3OVE

Crystal Structure of the Grb2 SH2 Domain in Complex with a pYXN-Derived Tripeptide
分子名称:	CHLORIDE ION, Growth factor receptor-bound protein 2, PYAC7CN
著者	Clements, J.H, Martin, S.F.
登録日	2010-09-16
公開日	2011-11-02
最終更新日	2023-12-06
実験手法	X-RAY DIFFRACTION (1.82 Å)
主引用文献	Protein-ligand interactions: thermodynamic effects associated with increasing nonpolar surface area. J.Am.Chem.Soc., 133, 2011

3C7I

X-RAY crystal structure of the complex between the grb2-sh2 domain and a flexible ligand, FPTVN.
分子名称:	FORMIC ACID, Growth factor receptor-bound protein 2, N-{(2R)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-valyl-L-aspartamide
著者	Benfield, A.P, Martin, S.F.
登録日	2008-02-07
公開日	2008-08-12
最終更新日	2024-02-21
実験手法	X-RAY DIFFRACTION (1.7 Å)
主引用文献	Ligand Preorganization May be Accompanied by Entropic Penalties in Protein-Ligand Interactions. Angew.Chem.Int.Ed.Engl., 118, 2006

2FGN

Structural Studies Examining the Substrate Specificity Profiles of PC-PLCBc Protein Variants
分子名称:	Phospholipase C, ZINC ION
著者	Benfield, A.P, Martin, S.F.
登録日	2005-12-22
公開日	2006-03-28
最終更新日	2024-02-14
実験手法	X-RAY DIFFRACTION (2.04 Å)
主引用文献	Structural studies examining the substrate specificity profiles of PC-PLC(Bc) protein variants. Arch.Biochem.Biophys., 460, 2007

2HUC

Structural Studies Examining the Substrate Specificity Profiles of PC-PLCBc Protein Variants
分子名称:	Phospholipase C, ZINC ION
著者	Benfield, A.P, Martin, S.F, Antikainen, N.M.
登録日	2006-07-26
公開日	2006-08-08
最終更新日	2024-02-14
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	Structural studies examining the substrate specificity profiles of PC-PLC(Bc) protein variants. Arch.Biochem.Biophys., 460, 2007

2H46

Native domain-swapped dimer crystal structure of the Grb2 SH2 domain
分子名称:	GLYCEROL, Growth Receptor Binding Protein 2
著者	Benfield, A.P, Martin, S.F, Whiddon, B.B.
登録日	2006-05-23
公開日	2006-06-06
最終更新日	2024-02-14
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	Structural and energetic aspects of Grb2-SH2 domain-swapping. Arch.Biochem.Biophys., 462, 2007

2H5K

Crystal Structure of Complex Between the Domain-Swapped Dimeric Grb2 SH2 Domain and Shc-Derived Ligand, Ac-NH-pTyr-Val-Asn-NH2
分子名称:	CACODYLATE ION, Growth factor receptor-bound protein 2, Shc-Derived Ligand
著者	Benfield, A.P, Whiddon, B.B, Martin, S.F.
登録日	2006-05-26
公開日	2006-08-15
最終更新日	2024-10-30
実験手法	X-RAY DIFFRACTION (3.25 Å)
主引用文献	Structural and energetic aspects of Grb2-SH2 domain-swapping. Arch.Biochem.Biophys., 462, 2007

2HUW

X-ray crystal structure of the Grb2 SH2 domain complexed to a constrained and cyclopropane-derived ligand
分子名称:	Growth factor receptor-bound protein 2, N-({(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-L-valyl-L-aspartamide, PHOSPHATE ION
著者	Benfield, A.P, Martin, S.F.
登録日	2006-07-27
公開日	2006-08-15
最終更新日	2024-02-14
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	Ligand Preorganization May Be Accompanied by Entropic Penalties in Protein-Ligand Interactions. Angew.Chem.Int.Ed.Engl., 45, 2006

2FFZ

Structural Studies Examining the Substrate Specificity Profiles of PC-PLCBc Protein Variants
分子名称:	Phospholipase C, ZINC ION
著者	Benfield, A.B, Antikainen, N.M, Martin, S.F.
登録日	2005-12-20
公開日	2006-03-28
最終更新日	2024-02-14
実験手法	X-RAY DIFFRACTION (2.05 Å)
主引用文献	Structural studies examining the substrate specificity profiles of PC-PLC(Bc) protein variants. Arch.Biochem.Biophys., 460, 2007

1P6D

STRUCTURE OF THE D55N MUTANT OF PHOSPHOLIPASE C FROM BACILLUS CEREUS IN COMPLEX WITH (3S)-3,4,DI-N-HEXANOYLOXYBUTYL-1-PHOSPHOCHOLINE
分子名称:	(3S)-3,4-DI-N-HEXANOYLOXYBUTYL-1-PHOSPHOCHOLINE, PHOSPHOLIPASE C, ZINC ION
著者	Antikainen, N.M, Monzingo, A.F, Franklin, C.L, Robertus, J.D, Martin, S.F.
登録日	2003-04-29
公開日	2003-09-30
最終更新日	2023-08-16
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	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

STRUCTURE OF THE D55N MUTANT OF PHOSPHOLIPASE C FROM BACILLUS CEREUS
分子名称:	Phospholipase C, ZINC ION
著者	Antikainen, N.M, Monzingo, A.F, Franklin, C.L, Robertus, J.D, Martin, S.F.
登録日	2003-04-28
公開日	2003-09-30
最終更新日	2023-08-16
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	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

STRUCTURE OF THE D55N MUTANT OF PHOSPHOLIPASE C FROM BACILLUS CEREUS IN COMPLEX WITH 1,2-DI-N-PENTANOYL-SN-GLYCERO-3-DITHIOPHOSPHOCHOLINE
分子名称:	1,2-DI-N-PENTANOYL-SN-GLYCERO-3-DITHIOPHOSPHOCHOLINE, Phospholipase C, ZINC ION
著者	Antikainen, N.M, Monzingo, A.F, Franklin, C.L, Robertus, J.D, Martin, S.F.
登録日	2003-04-29
公開日	2003-09-30
最終更新日	2023-08-16
実験手法	X-RAY DIFFRACTION (2.3 Å)
主引用文献	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

4P9V

Grb2 SH2 complexed with a pTyr-Ac6cN-Asn tripeptide
分子名称:	CHLORIDE ION, Growth factor receptor-bound protein 2, PHQ-PTR-02K-ASN-NH2
著者	Clements, J.H, Martin, S.F.
登録日	2014-04-06
公開日	2014-06-18
最終更新日	2023-11-15
実験手法	X-RAY DIFFRACTION (1.64 Å)
主引用文献	Protein-ligand interactions: Probing the energetics of a putative cation-pi interaction. Bioorg.Med.Chem.Lett., 24, 2014

4P9Z

Grb2 SH2 complexed with a pTyr-Ac6c-Asn tripeptide
分子名称:	ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者	Clements, J.H, Martin, S.F.
登録日	2014-04-06
公開日	2014-06-18
最終更新日	2024-10-30
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	Protein-ligand interactions: Probing the energetics of a putative cation-pi interaction. Bioorg.Med.Chem.Lett., 24, 2014

3IMJ

Crystal Structure of the Grb2 SH2 Domain in Complex with a Cyclopropyl-constrained Ac-pTyr-Ile-Asn-NH2 Tripeptide Mimic
分子名称:	(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
著者	Clements, J.H.
登録日	2009-08-10
公開日	2009-11-17
最終更新日	2023-09-06
実験手法	X-RAY DIFFRACTION (2.02 Å)
主引用文献	Thermodynamic and Structural Effects of Conformational Constraints in Protein-Ligand Interactions. Entropic Paradoxy Associated with Ligand Preorganization. J.Am.Chem.Soc., 131, 2009

3IN8

Crystal Structure of the Grb2 SH2 Domain in Complex with a Flexible Ac-pTyr-Ile-Asn-NH2 Tripeptide Mimic
分子名称:	FORMIC ACID, Growth factor receptor-bound protein 2, N-{(2S)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-isoleucyl-L-aspartamide
著者	Benfield, A.P, Clements, J.H.
登録日	2009-08-11
公開日	2009-11-17
最終更新日	2023-09-06
実験手法	X-RAY DIFFRACTION (1.7 Å)
主引用文献	Thermodynamic and Structural Effects of Conformational Constraints in Protein-Ligand Interactions. Entropic Paradoxy Associated with Ligand Preorganization. J.Am.Chem.Soc., 131, 2009

3IMD

Crystal Structure of the Grb2 SH2 Domain in Complex with a Flexible Ac-pY-Q-N-NH2 Tripeptide Mimic
分子名称:	CHLORIDE ION, Growth factor receptor-bound protein 2, MAGNESIUM ION, ...
著者	Clements, J.H.
登録日	2009-08-10
公開日	2009-11-17
最終更新日	2023-09-06
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	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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