1DN2
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![BU of 1dn2 by Molmil](/molmil-images/mine/1dn2) | FC FRAGMENT OF HUMAN IGG1 IN COMPLEX WITH AN ENGINEERED 13 RESIDUE PEPTIDE DCAWHLGELVWCT-NH2 | Descriptor: | ENGINEERED PEPTIDE, IMMUNOGLOBULIN LAMBDA HEAVY CHAIN, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | DeLano, W.L, Ultsch, M.H, de Vos, A.M, Wells, J.A. | Deposit date: | 1999-12-15 | Release date: | 2000-05-17 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Convergent solutions to binding at a protein-protein interface. Science, 287, 2000
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1CI7
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![BU of 1ci7 by Molmil](/molmil-images/mine/1ci7) | TERNARY COMPLEX OF THYMIDYLATE SYNTHASE FROM PNEUMOCYSTIS CARINII | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, PROTEIN (THYMIDYLATE SYNTHASE) | Authors: | Anderson, A.C, O'Neil, R.H, Delano, W.L, Stroud, R.M. | Deposit date: | 1999-04-08 | Release date: | 2000-04-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The structural mechanism for half-the-sites reactivity in an enzyme, thymidylate synthase, involves a relay of changes between subunits. Biochemistry, 38, 1999
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1NME
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![BU of 1nme by Molmil](/molmil-images/mine/1nme) | Structure of Casp-3 with tethered salicylate | Descriptor: | 2-HYDROXY-5-(2-MERCAPTO-ETHYLSULFAMOYL)-BENZOIC ACID, 3-(2-MERCAPTO-ACETYLAMINO)-4-OXO-PENTANOIC ACID, Caspase-3 | Authors: | Erlanson, D.A, Lam, J, Wiesmann, C, Luong, T.N, Simmons, B, DeLano, W, Choong, I.C, Flanagan, M, Lee, D, O'Brian, T. | Deposit date: | 2003-01-09 | Release date: | 2003-03-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | In situ assembly of enzyme inhibitors using extended tethering. Nat.Biotechnol., 21, 2003
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1NMQ
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![BU of 1nmq by Molmil](/molmil-images/mine/1nmq) | Extendend Tethering: In Situ Assembly of Inhibitors | Descriptor: | 3-(3-{2-[(5-METHANESULFONYL-THIOPHENE-2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}- BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACID, Caspase-3 | Authors: | Erlanson, D.A, Lam, J, Wiesmann, C, Luong, T.N, Simmons, R.L, DeLano, W, Choong, I.C, Flanagan, M, Lee, D, O'Brian, T. | Deposit date: | 2003-01-10 | Release date: | 2003-03-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | In situ assembly of enzyme inhibitors using extended tethering. Nat.Biotechnol., 21, 2003
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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 | Descriptor: | 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 | Authors: | Thanos, C.D, Delano, W.L, Wells, J.A. | Deposit date: | 2003-08-28 | Release date: | 2005-04-05 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Hot-spot mimicry of a cytokine receptor by a small molecule. Proc.Natl.Acad.Sci.USA, 103, 2006
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1NMS
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![BU of 1nms by Molmil](/molmil-images/mine/1nms) | Caspase-3 tethered to irreversible inhibitor | Descriptor: | 5-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID, Caspase-3 | Authors: | Erlanson, D.A, Lam, J, Wiesmann, C, Luong, T.N, Simmons, R.L, DeLano, W.L, Choong, I.C, Flanagan, W.M, Lee, D, O'Brian, T. | Deposit date: | 2003-01-10 | Release date: | 2003-03-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | In situ assembly of enzyme inhibitors using extended tethering. Nat.Biotechnol., 21, 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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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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