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5MTM
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BU of 5mtm by Molmil
Monobody Mb(Lck_3) bound to Lck-SH2 domain
Descriptor: Monobody Mb(Lck_3), Tyrosine-protein kinase Lck, ZINC ION
Authors:Pojer, F, Kukenshoner, T, Koide, S, Hantschel, O.
Deposit date:2017-01-10
Release date:2017-04-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.405 Å)
Cite:Selective Targeting of SH2 Domain-Phosphotyrosine Interactions of Src Family Tyrosine Kinases with Monobodies.
J. Mol. Biol., 429, 2017
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
4WWQ
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BU of 4wwq by Molmil
Apo structure of the Grb7 SH2 domain
Descriptor: Growth factor receptor-bound protein 7, MALONIC ACID
Authors:Watson, G.M, Ambaye, N.D, Wilce, M.C, Wilce, J.A.
Deposit date:2014-11-12
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Cyclic Peptides Incorporating Phosphotyrosine Mimetics as Potent and Specific Inhibitors of the Grb7 Breast Cancer Target.
J.Med.Chem., 58, 2015
4X6S
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BU of 4x6s by Molmil
Grb7 SH2 domain with phosphotyrosine mimetic inhibitor peptide
Descriptor: Growth factor receptor-bound protein 7, Phosphotyrosine mimetic inhibitor peptide G7-TEM1
Authors:Watson, G.M, Panjikar, S, Wilce, M.C, Wilce, J.A.
Deposit date:2014-12-09
Release date:2015-09-23
Last modified:2015-10-28
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Cyclic Peptides Incorporating Phosphotyrosine Mimetics as Potent and Specific Inhibitors of the Grb7 Breast Cancer Target.
J.Med.Chem., 58, 2015
5MTN
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BU of 5mtn by Molmil
Monobody Mb(Lck_1) bound to Lck-Sh2
Descriptor: Monobody Mb(Lck_1), SULFATE ION, Tyrosine-protein kinase Lck
Authors:Pojer, F, Kukenshoner, T, Koide, S, Hantschel, O.
Deposit date:2017-01-10
Release date:2017-04-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Selective Targeting of SH2 Domain-Phosphotyrosine Interactions of Src Family Tyrosine Kinases with Monobodies.
J. Mol. Biol., 429, 2017
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
2YU7
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BU of 2yu7 by Molmil
Solution structure of the SHP-1 C-terminal SH2 domain complexed with a tyrosine-phosphorylated peptide from NKG2A
Descriptor: Tyrosine-protein phosphatase non-receptor type 6, natural killer group 2A
Authors:Kasai, T, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-04-05
Release date:2008-04-15
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Solution structure of the SHP-1 C-terminal SH2 domain complexed with a tyrosine-phosphorylated peptide from NKG2A
To be Published
2YSX
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BU of 2ysx by Molmil
Solution structure of the human SHIP SH2 domain
Descriptor: Signaling inositol polyphosphate phosphatase SHIP II
Authors:Kasai, T, Koshiba, S, Watanabe, S, Harada, T, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-04-04
Release date:2008-04-08
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the human SHIP SH2 domain
To be Published
7WFY
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BU of 7wfy by Molmil
Crystal Structure of the VAV2 SH2 domain in complex with APP phosphorylated peptide
Descriptor: Amyloid beta A4 protein-binding family B member 1 (protein), Guanine nucleotide exchange factor VAV2
Authors:Zhang, Y.J, Liu, Y.R, Wu, B.
Deposit date:2021-12-27
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.449 Å)
Cite:Vav2 is a novel APP-interacting protein that regulates APP protein level.
Sci Rep, 12, 2022
6HTF
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BU of 6htf by Molmil
Crystal structure of human Btk SH2 domain bound to rF10 repebody
Descriptor: Tyrosine-protein kinase BTK, rF10 repebody
Authors:Duarte, D.P, Pojer, F, Hantschel, O.
Deposit date:2018-10-04
Release date:2020-05-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Btk SH2-kinase interface is critical for allosteric kinase activation and its targeting inhibits B-cell neoplasms.
Nat Commun, 11, 2020
6ICH
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BU of 6ich by Molmil
Grb2 SH2 domain in domain swapped dimer form
Descriptor: Growth factor receptor-bound protein 2
Authors:Hosoe, Y, Numoto, N, Inaba, S, Ogawa, S, Morii, H, Abe, R, Ito, N, Oda, M.
Deposit date:2018-09-06
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional properties of Grb2 SH2 dimer in CD28 binding.
Biophys Physicobio., 16, 2019
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
4QSY
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BU of 4qsy by Molmil
SHP2 SH2 domain in complex with GAB1 peptide
Descriptor: GRB2-associated-binding protein 1, Tyrosine-protein phosphatase non-receptor type 11
Authors:Gogl, G, Remenyi, A.
Deposit date:2014-07-06
Release date:2015-07-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Selective targeting of GAB adapter protein SHP2 tyrosine phosphatase interaction attenuates ERK signaling
To be Published
8ATK
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BU of 8atk by Molmil
The SH2 domain of mouse SH2B1
Descriptor: SH2B adapter protein 1
Authors:Fowler, N.J, Williamson, M.P, Albalwi, M.F.
Deposit date:2022-08-23
Release date:2023-05-24
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Improved methodology for protein NMR structure calculation using hydrogen bond restraints and ANSURR validation: The SH2 domain of SH2B1.
Structure, 31, 2023
6R5G
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BU of 6r5g by Molmil
C-SH2 domain of SHP-2 in complex with phospho-ITSM of PD-1
Descriptor: ITSM, Tyrosine-protein phosphatase non-receptor type 11
Authors:Marasco, M.
Deposit date:2019-03-25
Release date:2020-02-05
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Molecular mechanism of SHP2 activation by PD-1 stimulation.
Sci Adv, 6, 2020
4ROJ
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BU of 4roj by Molmil
Crystal Structure of the VAV2 SH2 domain in complex with TXNIP phosphorylated peptide
Descriptor: Guanine nucleotide exchange factor VAV2, Thioredoxin-interacting protein, UNKNOWN ATOM OR ION
Authors:Liu, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2014-10-28
Release date:2014-12-10
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of the VAV2 SH2 domain in complex with TXNIP phosphorylated peptide
TO BE PUBLISHED
6ROZ
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BU of 6roz by Molmil
Structure of the N-SH2 domain of the human tyrosine-protein phosphatase non-receptor type 11 in complex with the phosphorylated immune receptor tyrosine-based switch motif
Descriptor: Tyrosine-protein phosphatase non-receptor type 11, immune receptor tyrosine-based switch motif (ITSM)
Authors:Krausze, J, Sikorska, J, Carlomagno, T.
Deposit date:2019-05-13
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Molecular mechanism of SHP2 activation by PD-1 stimulation.
Sci Adv, 6, 2020
6ROY
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BU of 6roy by Molmil
Structure of the N-SH2 domain of the human tyrosine-protein phosphatase non-receptor type 11 in complex with the phosphorylated immune receptor tyrosine-based inhibitory motif
Descriptor: Tyrosine-protein phosphatase non-receptor type 11, immune receptor tyrosine-based inhibitory motif (ITIM)
Authors:Krausze, J, Sikorska, J, Carlomagno, T.
Deposit date:2019-05-13
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular mechanism of SHP2 activation by PD-1 stimulation.
Sci Adv, 6, 2020
7Q63
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BU of 7q63 by Molmil
The tandem SH2 domains of SYK
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E.
Deposit date:2021-11-05
Release date:2021-11-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The tandem SH2 domains of SYK
To Be Published
7Q5W
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BU of 7q5w by Molmil
The tandem SH2 domains of SYK with a bound TYROBP diphospho-ITAM peptide
Descriptor: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, DI(HYDROXYETHYL)ETHER, ...
Authors:Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E.
Deposit date:2021-11-04
Release date:2021-11-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The tandem SH2 domains of SYK
To Be Published
4U1P
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BU of 4u1p by Molmil
Human Fyn-SH2 domain in complex with a synthetic high-affinity phospho-peptide
Descriptor: Middle T antigen, POLYETHYLENE GLYCOL (N=34), SODIUM ION, ...
Authors:Garcia-Pino, A, Huculeci, R, Lenaerts, T, van Nuland, N.A.J.
Deposit date:2014-07-16
Release date:2015-07-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Human Fyn-SH2 domain in complex with a synthetic high-affinity phospho-peptide
To Be Published
4U17
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BU of 4u17 by Molmil
Swapped dimer of the human Fyn-SH2 domain
Descriptor: 1,2-ETHANEDIOL, PHOSPHATE ION, Tyrosine-protein kinase Fyn
Authors:Garcia-Pino, A, Huculeci, R, Lenaerts, T, van Nuland, N.A.J.
Deposit date:2014-07-15
Release date:2015-07-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Swapped dimer of the human Fyn-SH2 domain
To Be Published
4TZI
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BU of 4tzi by Molmil
Structure of unliganded Lyn SH2 domain
Descriptor: Tyrosine-protein kinase Lyn
Authors:Wybenga-Groot, L.E.
Deposit date:2014-07-10
Release date:2015-01-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Tyrosine Phosphorylation of the Lyn Src Homology 2 (SH2) Domain Modulates Its Binding Affinity and Specificity.
Mol.Cell Proteomics, 14, 2015

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数据于2024-06-19公开中

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