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PDB: 55 件
8S0P
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BU of 8s0p by Molmil
A fragment-based inhibitor of SHP2
分子名称: 1-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]-4-methyl-piperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11
著者Cleasby, A, Price, A.
登録日2024-02-14
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
8S0O
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BU of 8s0o by Molmil
A fragment-based inhibitor of SHP2
分子名称: 3-[4-chloranyl-2-(1H-pyrazol-4-ylmethyl)indazol-5-yl]-5-methyl-6-(piperazin-1-ylmethyl)-1H-pyrrolo[3,2-b]pyridine, FORMIC ACID, Tyrosine-protein phosphatase non-receptor type 11
著者Cleasby, A, Price, A.
登録日2024-02-14
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.834 Å)
主引用文献Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
8S07
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BU of 8s07 by Molmil
A fragment-based inhibitor of SHP2
分子名称: 7-azanyl-N-pyridin-3-yl-3H-pyrrolo[3,2-b]pyridine-2-carboxamide, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Cleasby, A, Price, A.
登録日2024-02-13
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
8S0I
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BU of 8s0i by Molmil
A fragment-based inhibitor of SHP2
分子名称: 3-phenyl-1H-pyrrolo[3,2-b]pyridine, Tyrosine-protein phosphatase non-receptor type 11
著者Cleasby, A, Price, A.
登録日2024-02-14
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.929 Å)
主引用文献Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
8S0Q
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BU of 8s0q by Molmil
A fragment-based inhibitor of SHP2
分子名称: (1S,5R)-8-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]-8-azabicyclo[3.2.1]octan-3-amine, Tyrosine-protein phosphatase non-receptor type 11
著者Cleasby, A, Price, A.
登録日2024-02-14
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.872 Å)
主引用文献Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
8S04
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BU of 8s04 by Molmil
A fragment-based inhibitor of SHP2
分子名称: N-(1H-indol-7-yl)methanesulfonamide, Tyrosine-protein phosphatase non-receptor type 11
著者Cleasby, A, Price, A.
登録日2024-02-13
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
8S0J
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BU of 8s0j by Molmil
A fragment-based inhibitor of SHP2
分子名称: 3-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]propan-1-amine, Tyrosine-protein phosphatase non-receptor type 11
著者Cleasby, A, Price, A.
登録日2024-02-14
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
8RZW
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BU of 8rzw by Molmil
A fragment-based inhibitor of SHP2
分子名称: 3,5-bis(chloranyl)pyrazin-2-amine, Tyrosine-protein phosphatase non-receptor type 11
著者Cleasby, A, Price, A.
登録日2024-02-13
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
8S06
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BU of 8s06 by Molmil
A fragment-based inhibitor of SHP2
分子名称: 1H-pyrrolo[3,2-b]pyridin-7-amine, Tyrosine-protein phosphatase non-receptor type 11
著者Cleasby, A, Price, A.
登録日2024-02-13
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
8RZY
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BU of 8rzy by Molmil
A fragment-based inhibitor of SHP2
分子名称: 1H-pyrrolo[3,2-b]pyridin-5-amine, DIMETHYL SULFOXIDE, Tyrosine-protein phosphatase non-receptor type 11
著者Cleasby, A, Price, A.
登録日2024-02-13
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
8S01
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BU of 8s01 by Molmil
A fragment-based inhibitor of SHP2
分子名称: 3-(4-chlorophenyl)-1H-pyrazole, Tyrosine-protein phosphatase non-receptor type 11
著者Cleasby, A, Price, A.
登録日2024-02-13
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
8S0S
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BU of 8s0s by Molmil
A fragment-based inhibitor of SHP2
分子名称: (1R,5S)-8-[7-(4-chloranyl-2-methyl-indazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-amine, Tyrosine-protein phosphatase non-receptor type 11
著者Cleasby, A, Price, A.
登録日2024-02-14
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
8S0K
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BU of 8s0k by Molmil
A fragment-based inhibitor of SHP2
分子名称: 3-[2,3-bis(chloranyl)phenyl]-5-methyl-6-(piperazin-1-ylmethyl)-1H-pyrrolo[3,2-b]pyridine, Tyrosine-protein phosphatase non-receptor type 11
著者Cleasby, A, Price, A.
登録日2024-02-14
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
8S0H
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BU of 8s0h by Molmil
A fragment-based inhibitor of SHP2
分子名称: 5-(aminomethyl)-N-(3-chloranyl-1-methyl-indol-7-yl)-1,3-dihydroisoindole-2-sulfonamide, Tyrosine-protein phosphatase non-receptor type 11
著者Cleasby, A, Price, A.
登録日2024-02-14
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
1Q32
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BU of 1q32 by Molmil
Crystal Structure Analysis of the Yeast Tyrosyl-DNA Phosphodiesterase
分子名称: tyrosyl-DNA phosphodiesterase
著者He, X, Babaoglu, K, Price, A, Nitiss, K.C, Nitiss, J.L, White, S.W.
登録日2003-07-28
公開日2004-09-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Mutation of a conserved active site residue converts tyrosyl-DNA phosphodiesterase I into a DNA topoisomerase I-dependent poison
J.Mol.Biol., 372, 2007
3D9T
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BU of 3d9t by Molmil
CIAP1-BIR3 in complex with N-terminal peptide from Caspase-9 (ATPFQE)
分子名称: Baculoviral IAP repeat-containing protein 2, Caspase-9, ZINC ION
著者Kulathila, R, Price, A.
登録日2008-05-27
公開日2008-06-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The structure of the BIR3 domain of cIAP1 in complex with the N-terminal peptides of SMAC and caspase-9.
Acta Crystallogr.,Sect.D, 65, 2009
3D9U
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BU of 3d9u by Molmil
The BIR3 domain of cIAP1 in complex with the N terminal peptide from SMAC/DIABLO (AVPIAQ).
分子名称: Baculoviral IAP repeat-containing protein 2, SMAC/DIABLO, ZINC ION
著者Kulathila, R, Price, A.
登録日2008-05-27
公開日2008-06-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The structure of the BIR3 domain of cIAP1 in complex with the N-terminal peptides of SMAC and caspase-9.
Acta Crystallogr.,Sect.D, 65, 2009
4WEB
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BU of 4web by Molmil
Structure of the core ectodomain of the hepatitis C virus envelope glycoprotein 2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, FORMAMIDE, Mouse Fab Heavy Chain, ...
著者Khan, A.G, Whidby, J, Miller, M.T, Scarborough, H, Zatorski, A.V, Cygan, A, Price, A.A, Yost, S.A, Bohannon, C.D, Jacob, J, Grakoui, A, Marcotrigiano, J.
登録日2014-09-09
公開日2014-12-17
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of the core ectodomain of the hepatitis C virus envelope glycoprotein 2.
Nature, 509, 2014
5HGN
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BU of 5hgn by Molmil
Hexameric HIV-1 CA, apo form
分子名称: Capsid protein P24
著者Jacques, D.A, Price, A.J, James, D.A.
登録日2016-01-08
公開日2016-08-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献HIV-1 uses dynamic capsid pores to import nucleotides and fuel encapsidated DNA synthesis.
Nature, 536, 2016
5HGK
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BU of 5hgk by Molmil
HIV-1 CA N-terminal domain, open conformation
分子名称: CHLORIDE ION, Capsid protein
著者Jacques, D.A, Price, A.J, James, L.C.
登録日2016-01-08
公開日2016-08-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.763 Å)
主引用文献HIV-1 uses dynamic capsid pores to import nucleotides and fuel encapsidated DNA synthesis.
Nature, 536, 2016
1G5X
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BU of 1g5x by Molmil
The Structure of Beta-Ketoacyl-[Acyl Carrier Protein] Synthase I
分子名称: BETA-KETOACYL ACYL CARRIER PROTEIN SYNTHASE I
著者Zhang, Y.M, Rao, M.S, Heath, R.J, Price, A.C, Olson, A.J, Rock, C.O, White, S.W.
登録日2000-11-02
公開日2000-11-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Identification and analysis of the acyl carrier protein (ACP) docking site on beta-ketoacyl-ACP synthase III.
J.Biol.Chem., 276, 2001
2AQB
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BU of 2aqb by Molmil
Structure-activity relationships at the 5-position of thiolactomycin: an intact 5(R)-isoprene unit is required for activity against the condensing enzymes from Mycobacterium tuberculosis and Escherchia coli
分子名称: (5R)-5-[(1E)-BUTA-1,3-DIENYL]-4-HYDROXY-3,5-DIMETHYLTHIOPHEN-2(5H)-ONE, 3-oxoacyl-[acyl-carrier-protein] synthase I
著者Kim, P, Zhang, Y.M, Shenoy, G, Nguyen, Q.A, Boshoff, H.I, Manjunatha, U.H, Goodwin, M.B, Lonsdale, J, Price, A.C, Miller, D.J.
登録日2005-08-17
公開日2006-01-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structure-Activity Relationships at the 5-Position of Thiolactomycin: An Intact (5R)-Isoprene Unit Is Required for Activity against the Condensing Enzymes from Mycobacterium tuberculosis and Escherichia coli
J.Med.Chem., 49, 2006
2AQ7
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BU of 2aq7 by Molmil
Structure-activity relationships at the 5-posiiton of thiolactomycin: an intact 5(R)-isoprene unit is required for activity against the condensing enzymes from Mycobacterium tuberculosis and Escherichia coli
分子名称: (5R)-4-HYDROXY-3,5-DIMETHYL-5-[(1E,3E)-2-METHYLPENTA-1,3-DIENYL]THIOPHEN-2(5H)-ONE, 3-oxoacyl-[acyl-carrier-protein] synthase I
著者Kim, P, Zhang, Y.M, Shenoy, G, Nguyen, Q.A, Boshoff, H.I, Manjunatha, U.H, Goodwin, M.B, Lonsdale, J, Price, A.C, Miller, D.J.
登録日2005-08-17
公開日2006-01-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Activity Relationships at the 5-Position of Thiolactomycin: An Intact (5R)-Isoprene Unit Is Required for Activity against the Condensing Enzymes from Mycobacterium tuberculosis and Escherichia coli
J.Med.Chem., 49, 2006
4DGC
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BU of 4dgc by Molmil
TRIMCyp cyclophilin domain from Macaca mulatta: cyclosporin A complex
分子名称: TRIMCyp, cyclosporin A
著者Caines, M.E.C, Bichel, K, Price, A.J, McEwan, W.A, James, L.C.
登録日2012-01-25
公開日2012-02-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Diverse HIV viruses are targeted by a conformationally dynamic antiviral.
Nat.Struct.Mol.Biol., 19, 2012
4DGE
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BU of 4dge by Molmil
TRIMCyp cyclophilin domain from Macaca mulatta: H70C mutant, HIV-1 CA(O-loop) complex
分子名称: TRIMCyp, capsid protein
著者Caines, M.E.C, Bichel, K, Price, A.J, McEwan, W.A, James, L.C.
登録日2012-01-25
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Diverse HIV viruses are targeted by a conformationally dynamic antiviral.
Nat.Struct.Mol.Biol., 19, 2012

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