1F4E
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![BU of 1f4e by Molmil](/molmil-images/mine/1f4e) | CRYSTAL STRUCTURE OF E. COLI THYMIDYLATE SYNTHASE COMPLEXED WITH TOSYL-D-PROLINE | 分子名称: | GLYCEROL, SULFATE ION, THYMIDYLATE SYNTHASE, ... | 著者 | Erlanson, D.A, Braisted, A.C, Raphael, D.R, Randal, M, Stroud, R.M, Gordon, E, Wells, J.A. | 登録日 | 2000-06-07 | 公開日 | 2000-06-22 | 最終更新日 | 2021-11-03 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Site-directed ligand discovery. Proc.Natl.Acad.Sci.USA, 97, 2000
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2FQQ
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![BU of 2fqq by Molmil](/molmil-images/mine/2fqq) | Crystal structure of human caspase-1 (Cys285->Ala, Cys362->Ala, Cys364->Ala, Cys397->Ala) in complex with 1-methyl-3-trifluoromethyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid (2-mercapto-ethyl)-amide | 分子名称: | 1-METHYL-3-TRIFLUOROMETHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID (2-MERCAPTO-ETHYL)-AMIDE, Caspase-1 | 著者 | Scheer, J.M, Wells, J.A, Romanowski, M.J. | 登録日 | 2006-01-18 | 公開日 | 2006-05-16 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | A common allosteric site and mechanism in caspases Proc.Natl.Acad.Sci.USA, 103, 2006
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2HBQ
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![BU of 2hbq by Molmil](/molmil-images/mine/2hbq) | |
2H4Y
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![BU of 2h4y by Molmil](/molmil-images/mine/2h4y) | |
2H51
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![BU of 2h51 by Molmil](/molmil-images/mine/2h51) | |
2H48
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![BU of 2h48 by Molmil](/molmil-images/mine/2h48) | Crystal structure of human caspase-1 (Cys362->Ala, Cys364->Ala, Cys397->Ala) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK) | 分子名称: | Caspase 1, isoform gamma, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide | 著者 | Scheer, J.M, Wells, J.A, Romanowski, M.J. | 登録日 | 2006-05-23 | 公開日 | 2006-06-06 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | A common allosteric site and mechanism in caspases Proc.Natl.Acad.Sci.USA, 103, 2006
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2H54
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![BU of 2h54 by Molmil](/molmil-images/mine/2h54) | |
2H4W
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![BU of 2h4w by Molmil](/molmil-images/mine/2h4w) | |
2HBR
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![BU of 2hbr by Molmil](/molmil-images/mine/2hbr) | |
2HBZ
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![BU of 2hbz by Molmil](/molmil-images/mine/2hbz) | |
2HBY
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![BU of 2hby by Molmil](/molmil-images/mine/2hby) | |
1M4C
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![BU of 1m4c by Molmil](/molmil-images/mine/1m4c) | 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
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1M49
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![BU of 1m49 by Molmil](/molmil-images/mine/1m49) | 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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1M4A
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![BU of 1m4a by Molmil](/molmil-images/mine/1m4a) | 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
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1M4B
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![BU of 1m4b by Molmil](/molmil-images/mine/1m4b) | 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
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1M48
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![BU of 1m48 by Molmil](/molmil-images/mine/1m48) | 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
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6DF1
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6DEZ
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![BU of 6dez by Molmil](/molmil-images/mine/6dez) | |
6DF0
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![BU of 6df0 by Molmil](/molmil-images/mine/6df0) | |
6DF2
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3ORZ
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![BU of 3orz by Molmil](/molmil-images/mine/3orz) | PDK1 mutant bound to allosteric disulfide fragment activator 2A2 | 分子名称: | 3-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-2,5-DIONE, 3-phosphoinositide-dependent protein kinase 1, 4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutane-1-thiol | 著者 | Sadowsky, J.D, Wells, J.A. | 登録日 | 2010-09-08 | 公開日 | 2011-03-23 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.9995 Å) | 主引用文献 | Turning a protein kinase on or off from a single allosteric site via disulfide trapping. Proc.Natl.Acad.Sci.USA, 108, 2011
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3ORX
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3OTU
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![BU of 3otu by Molmil](/molmil-images/mine/3otu) | PDK1 mutant bound to allosteric disulfide fragment activator JS30 | 分子名称: | 3-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-2,5-DIONE, 3-phosphoinositide-dependent protein kinase 1, 4-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-4-oxobutane-1-thiol, ... | 著者 | Sadowsky, J.D, Wells, J.A. | 登録日 | 2010-09-13 | 公開日 | 2011-03-23 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.1013 Å) | 主引用文献 | Turning a protein kinase on or off from a single allosteric site via disulfide trapping. Proc.Natl.Acad.Sci.USA, 108, 2011
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1QVN
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![BU of 1qvn by Molmil](/molmil-images/mine/1qvn) | 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
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1PY2
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![BU of 1py2 by Molmil](/molmil-images/mine/1py2) | 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
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