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PDB: 187 件
4M1W
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BU of 4m1w by Molmil
Crystal Structure of small molecule vinylsulfonamide covalently bound to K-Ras G12C
分子名称: GUANOSINE-5'-DIPHOSPHATE, K-Ras GTPase, MAGNESIUM ION, ...
著者Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
登録日2013-08-04
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
1PW6
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Low Micromolar Small Molecule Inhibitor of IL-2
分子名称: 2-CYCLOHEXYL-N-(2-{4-[5-(2,3-DICHLORO-PHENYL)-2H-PYRAZOL-3-YL]-PIPERIDIN-1-YL}-2-OXO-ETHYL)-2-GUANIDINO-ACETAMIDE, Interleukin-2, SULFATE ION
著者Thanos, C.D, Randal, M, Wells, J.A.
登録日2003-06-30
公開日2004-01-13
最終更新日2018-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Potent small-molecule binding to a dynamic hot spot on IL-2.
J.Am.Chem.Soc., 125, 2003
1PY2
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BU of 1py2 by Molmil
Structure of a 60 nM Small Molecule Bound to a Hot Spot on IL-2
分子名称: 5-[2,3-DICHLORO-4-(5-{1-[2-(2-GUANIDINO-4-METHYL-PENTANOYLAMINO)-ACETYL]-PIPERIDIN-4-YL}-1-METHYL-1H-PYRAZOL-3-YL)-PHENOXYMETHYL]-FURAN-2-CARBOXYLIC ACID, Interleukin-2, ZINC ION
著者Thanos, C.D, Randal, M, Wells, J.A.
登録日2003-07-07
公開日2004-01-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Potent small-molecule binding to a dynamic hot spot on IL-2.
J.Am.Chem.Soc., 125, 2003
1QVN
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BU of 1qvn by Molmil
Structure of SP4160 Bound to IL-2 V69A
分子名称: 2-GUANIDINO-4-METHYL-PENTANOIC ACID [2-(4-{5-[4-(4-ACETYLAMINO-BENZYLOXY)-2,3-DICHLORO-PHENYL]-2-METHYL-2H-PYRAZOL-3-YL}-PIPERIDIN-1-YL)-2-OXO-ETHYL]-AMIDE, Interleukin-2, ZINC ION
著者Thanos, C.D, Delano, W.L, Wells, J.A.
登録日2003-08-28
公開日2005-04-05
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Hot-spot mimicry of a cytokine receptor by a small molecule.
Proc.Natl.Acad.Sci.USA, 103, 2006
4RQK
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BU of 4rqk by Molmil
Crystal structure of PDK1 in complex with ATP and the PIF-pocket ligand RS1
分子名称: 3-phosphoinositide-dependent protein kinase 1, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Rettenmaier, T.J, Wells, J.A.
登録日2014-11-03
公開日2014-12-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A small-molecule mimic of a peptide docking motif inhibits the protein kinase PDK1.
Proc.Natl.Acad.Sci.USA, 111, 2014
4RQV
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BU of 4rqv by Molmil
Crystal structure of PDK1 in complex with ATP and the PIF-pocket ligand RS2
分子名称: 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
著者Rettenmaier, T.J, Wells, J.A.
登録日2014-11-05
公開日2014-12-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.502 Å)
主引用文献A small-molecule mimic of a peptide docking motif inhibits the protein kinase PDK1.
Proc.Natl.Acad.Sci.USA, 111, 2014
4RRV
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BU of 4rrv by Molmil
Crystal structure of PDK1 in complex with ATP and PIFtide
分子名称: 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
著者Rettenmaier, T.J, Wells, J.A.
登録日2014-11-06
公開日2014-12-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.412 Å)
主引用文献A small-molecule mimic of a peptide docking motif inhibits the protein kinase PDK1.
Proc.Natl.Acad.Sci.USA, 111, 2014
1M4B
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BU of 1m4b by Molmil
Crystal Structure of Human Interleukin-2 K43C Covalently Modified at C43 with 2-[2-(2-Cyclohexyl-2-guanidino-acetylamino)-acetylamino]-N-(3-mercapto-propyl)-propionamide
分子名称: 2-[2-(2-CYCLOHEXYL-2-GUANIDINO-ACETYLAMINO)-ACETYLAMINO]-N-(3-MERCAPTO-PROPYL)-PROPIONAMIDE, interleukin-2
著者Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C.
登録日2002-07-02
公開日2002-07-31
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Binding of small molecules to an adaptive protein-protein interface
Proc.Natl.Acad.Sci.USA, 100, 2003
1M48
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BU of 1m48 by Molmil
Crystal Structure of Human IL-2 Complexed with (R)-N-[2-[1-(Aminoiminomethyl)-3-piperidinyl]-1-oxoethyl]-4-(phenylethynyl)-L-phenylalanine methyl ester
分子名称: 2-[3-METHYL-4-(N-METHYL-GUANIDINO)-BUTYRYLAMINO]-3-(4-PHENYLETHYNYL-PHENYL)-PROPIONIC ACID METHYL ESTER, interleukin-2
著者Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C.
登録日2002-07-02
公開日2002-07-31
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Binding of small molecules to an adaptive protein-protein interface
Proc.Natl.Acad.Sci.USA, 100, 2003
1M4C
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BU of 1m4c by Molmil
Crystal Structure of Human Interleukin-2
分子名称: interleukin-2
著者Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C.
登録日2002-07-02
公開日2002-07-31
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Binding of small molecules to an adaptive protein-protein interface
Proc.Natl.Acad.Sci.USA, 100, 2003
1M4A
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BU of 1m4a by Molmil
Crystal Structure of Human Interleukin-2 Y31C Covalently Modified at C31 with (1H-Indol-3-yl)-(2-mercapto-ethoxyimino)-acetic acid
分子名称: (1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-ACETIC ACID, GLYCEROL, interleukin-2
著者Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C.
登録日2002-07-02
公開日2002-07-31
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Binding of small molecules to an adaptive protein-protein interface
Proc.Natl.Acad.Sci.USA, 100, 2003
1M49
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Crystal Structure of Human Interleukin-2 Complexed with SP-1985
分子名称: 2-[2-(1-CARBAMIMIDOYL-PIPERIDIN-3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL-1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER, interleukin-2
著者Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C.
登録日2002-07-02
公開日2002-07-31
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Binding of small molecules to an adaptive protein-protein interface
Proc.Natl.Acad.Sci.USA, 100, 2003

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