1FYH
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1D9C
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![BU of 1d9c by Molmil](/molmil-images/mine/1d9c) | BOVINE INTERFERON-GAMMA AT 2.0 ANGSTROMS | Descriptor: | INTERFERON-GAMMA | Authors: | Randal, M, Kossiakoff, A.A. | Deposit date: | 1999-10-27 | Release date: | 1999-11-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The 2.0 A structure of bovine interferon-gamma; assessment of the structural differences between species. Acta Crystallogr.,Sect.D, 56, 2000
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1D9G
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![BU of 1d9g by Molmil](/molmil-images/mine/1d9g) | BOVINE INTERFERON-GAMMA AT 2.9 ANGSTROMS | Descriptor: | INTERFERON-GAMMA | Authors: | Randal, M, Kossiakoff, A.A. | Deposit date: | 1999-10-27 | Release date: | 1999-11-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The 2.0 A structure of bovine interferon-gamma; assessment of the structural differences between species. Acta Crystallogr.,Sect.D, 56, 2000
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2ZJN
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2ZJH
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2ZJK
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2ZJL
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![BU of 2zjl by Molmil](/molmil-images/mine/2zjl) | Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(5-bromo-2,3-dimethoxy-benzyl)-piperidin-4-yl]-4-mercapto-butyramide | Descriptor: | Beta-secretase 1, N-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide | Authors: | Randal, M, Lam, M.B, Lu, W, Romanowski, M.J. | Deposit date: | 2008-03-07 | Release date: | 2009-01-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Fragment-based discovery of novel BACE1 inhibitors using Tethering technology To be Published
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2ZJI
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2ZJJ
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7PTI
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6RLX
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2FDP
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![BU of 2fdp by Molmil](/molmil-images/mine/2fdp) | Crystal structure of beta-secretase complexed with an amino-ethylene inhibitor | Descriptor: | Beta-secretase 1, N1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-5-METHYL-6-OXO-1-PHENYLHEXAN-2-YL)-N3,N3-DIPROPYLISOPHTHALAMIDE | Authors: | Yang, W, Lu, W, Lu, Y, Zhong, M, Sun, J, Thomas, A.E, Wilkinson, J.M, Fucini, R.V, Lam, M, Randal, M, Shi, X.P, Jacobs, J.W, McDowell, R.S, Gordon, E.M, Ballinger, M.D. | Deposit date: | 2005-12-14 | Release date: | 2006-01-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Aminoethylenes: a tetrahedral intermediate isostere yielding potent inhibitors of the aspartyl protease BACE-1. J.Med.Chem., 49, 2006
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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 | Descriptor: | 2-[2-(2-CYCLOHEXYL-2-GUANIDINO-ACETYLAMINO)-ACETYLAMINO]-N-(3-MERCAPTO-PROPYL)-PROPIONAMIDE, interleukin-2 | Authors: | 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. | Deposit date: | 2002-07-02 | Release date: | 2002-07-31 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | 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 | Descriptor: | 2-[3-METHYL-4-(N-METHYL-GUANIDINO)-BUTYRYLAMINO]-3-(4-PHENYLETHYNYL-PHENYL)-PROPIONIC ACID METHYL ESTER, interleukin-2 | Authors: | 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. | Deposit date: | 2002-07-02 | Release date: | 2002-07-31 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Binding of small molecules to an adaptive
protein-protein interface Proc.Natl.Acad.Sci.USA, 100, 2003
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1M47
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![BU of 1m47 by Molmil](/molmil-images/mine/1m47) | Crystal Structure of Human Interleukin-2 | Descriptor: | SULFATE ION, interleukin-2 | Authors: | Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, Wells, J.A, McDowell, R.S, Wells, J.A, Braisted, A.C. | Deposit date: | 2002-07-02 | Release date: | 2002-07-31 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Binding of small molecules to an adaptive protein-protein interface. Proc.Natl.Acad.Sci.USA, 100, 2003
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1M4C
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![BU of 1m4c by Molmil](/molmil-images/mine/1m4c) | Crystal Structure of Human Interleukin-2 | Descriptor: | interleukin-2 | Authors: | 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. | Deposit date: | 2002-07-02 | Release date: | 2002-07-31 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 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 | Descriptor: | (1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-ACETIC ACID, GLYCEROL, interleukin-2 | Authors: | 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. | Deposit date: | 2002-07-02 | Release date: | 2002-07-31 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | 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 | Descriptor: | 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 | Authors: | 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. | Deposit date: | 2002-07-02 | Release date: | 2002-07-31 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Binding of small molecules to an adaptive
protein-protein interface Proc.Natl.Acad.Sci.USA, 100, 2003
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1AAL
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1T4J
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![BU of 1t4j by Molmil](/molmil-images/mine/1t4j) | Allosteric Inhibition of Protein Tyrosine Phosphatase 1B | Descriptor: | 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID [4-(THIAZOL-2-YLSULFAMOYL)-PHENYL]-AMIDE, Protein-tyrosine phosphatase, non-receptor type 1 | Authors: | Wiesmann, C, Barr, K.J, Kung, J, Zhu, J, Shen, W, Fahr, B.J, Zhong, M, Taylor, L, Randal, M, McDowell, R.S, Hansen, S.K. | Deposit date: | 2004-04-29 | Release date: | 2004-07-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Allosteric inhibition of protein tyrosine phosphatase 1B Nat.Struct.Mol.Biol., 11, 2004
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1T49
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![BU of 1t49 by Molmil](/molmil-images/mine/1t49) | Allosteric Inhibition of Protein Tyrosine Phosphatase 1B | Descriptor: | 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID (4-SULFAMOYL-PHENYL)-AMIDE, MAGNESIUM ION, Protein-tyrosine phosphatase, ... | Authors: | Wiesmann, C, Barr, K.J, Kung, J, Zhu, J, Shen, W, Fahr, B.J, Zhong, M, Taylor, L, Randal, M, McDowell, R.S, Hansen, S.K. | Deposit date: | 2004-04-28 | Release date: | 2004-07-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Allosteric inhibition of protein tyrosine phosphatase 1B. Nat.Struct.Mol.Biol., 11, 2004
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1T48
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![BU of 1t48 by Molmil](/molmil-images/mine/1t48) | Allosteric Inhibition of Protein Tyrosine Phosphatase 1B | Descriptor: | 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID DIMETHYLAMIDE, Protein-tyrosine phosphatase, non-receptor type 1 | Authors: | Wiesmann, C, Barr, K.J, Kung, J, Zhu, J, Shen, W, Fahr, B.J, Zhong, M, Erlanson, D.A, Taylor, L, Randal, M, McDowell, R.S, Hansen, S.K. | Deposit date: | 2004-04-28 | Release date: | 2004-07-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Allosteric inhibition of protein tyrosine phosphatase 1B Nat.Struct.Mol.Biol., 11, 2004
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1NWE
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![BU of 1nwe by Molmil](/molmil-images/mine/1nwe) | Ptp1B R47C Modified at C47 with N-[4-(2-{2-[3-(2-Bromo-acetylamino)-propionylamino]-3-hydroxy-propionylamino}-ethyl)-phenyl]-oxalamic acid | Descriptor: | N-[4-(2-{2-[3-(2-BROMO-ACETYLAMINO)-PROPIONYLAMINO]-3-HYDROXY-PROPIONYLAMINO}-ETHYL)-PHENYL]-OXALAMIC ACID, Protein-tyrosine phosphatase, non-receptor type 1 | Authors: | Erlanson, D.A, McDowell, R.S, He, M.M, Randal, M, Simmons, R.L, Kung, J, Waight, A, Hansen, S.K. | Deposit date: | 2003-02-06 | Release date: | 2003-05-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Discovery of a New Phosphotyrosine Mimetic for PTP1B Using Breakaway Tethering J.Am.Chem.Soc., 125, 2003
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1NWL
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![BU of 1nwl by Molmil](/molmil-images/mine/1nwl) | Crystal structure of the PTP1B complexed with SP7343-SP7964, a pTyr mimetic | Descriptor: | 3-(4-{2-[2-(2-BROMO-ACETYLAMINO)-ETHYLDISULFANYL]-ETHYLCARBAMOYL}-CYCLOHEXYLCARBAMOYL)-PYRAZINE-2-CARBOXYLIC ACID, MAGNESIUM ION, protein-tyrosine phosphatase, ... | Authors: | Erlanson, D.A, McDowell, R.S, He, M.M, Randal, M, Simmons, R.L, Kung, J, Waight, A, Hansen, S. | Deposit date: | 2003-02-06 | Release date: | 2003-04-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of a New Phosphotyrosine Mimetic for PTP1B Using Breakaway Tethering J.Am.Chem.Soc., 125, 2003
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1PW6
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![BU of 1pw6 by Molmil](/molmil-images/mine/1pw6) | Low Micromolar Small Molecule Inhibitor of IL-2 | Descriptor: | 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 | Authors: | Thanos, C.D, Randal, M, Wells, J.A. | Deposit date: | 2003-06-30 | Release date: | 2004-01-13 | Last modified: | 2018-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Potent small-molecule binding to a dynamic hot spot on IL-2. J.Am.Chem.Soc., 125, 2003
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