5MJB
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![BU of 5mjb by Molmil](/molmil-images/mine/5mjb) | Kinase domain of human EphB1, G703C mutant, covalently bound to a quinazoline-based inhibitor | Descriptor: | 2-chloranyl-~{N}-[4-[(2-chloranyl-5-oxidanyl-phenyl)amino]quinazolin-7-yl]ethanamide, Ephrin type-B receptor 1, SULFATE ION | Authors: | Kung, A, Schimpl, M, Chen, Y.-C, Overman, R.C, Zhang, C. | Deposit date: | 2016-11-30 | Release date: | 2017-05-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | A Chemical-Genetic Approach to Generate Selective Covalent Inhibitors of Protein Kinases. ACS Chem. Biol., 12, 2017
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5MJA
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![BU of 5mja by Molmil](/molmil-images/mine/5mja) | Kinase domain of human EphB1 bound to a quinazoline-based inhibitor | Descriptor: | 2-chloranyl-~{N}-[4-[(2-chloranyl-5-oxidanyl-phenyl)amino]quinazolin-7-yl]ethanamide, Ephrin type-B receptor 1, SULFATE ION | Authors: | Kung, A, Schimpl, M, Chen, Y.-C, Overman, R.C, Zhang, C. | Deposit date: | 2016-11-30 | Release date: | 2017-05-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | A Chemical-Genetic Approach to Generate Selective Covalent Inhibitors of Protein Kinases. ACS Chem. Biol., 12, 2017
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1L3E
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![BU of 1l3e by Molmil](/molmil-images/mine/1l3e) | NMR Structures of the HIF-1alpha CTAD/p300 CH1 Complex | Descriptor: | ZINC ION, hypoxia inducible factor-1 alpha subunit, p300 protein | Authors: | Freedman, S.J, Sun, Z.J, Poy, F, Kung, A.L, Livingston, D.M, Wagner, G, Eck, M.J. | Deposit date: | 2002-02-26 | Release date: | 2002-04-24 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Structural basis for recruitment of CBP/p300 by hypoxia-inducible factor-1 alpha. Proc.Natl.Acad.Sci.USA, 99, 2002
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1P4Q
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![BU of 1p4q by Molmil](/molmil-images/mine/1p4q) | Solution structure of the CITED2 transactivation domain in complex with the p300 CH1 domain | Descriptor: | Cbp/p300-interacting transactivator 2, E1A-associated protein p300, ZINC ION | Authors: | Freedman, S.J, Sun, Z.-Y.J, Kung, A.L, France, D.S, Wagner, G, Eck, M.J. | Deposit date: | 2003-04-23 | Release date: | 2003-07-01 | Last modified: | 2017-02-01 | Method: | SOLUTION NMR | Cite: | Structural basis for negative regulation of hypoxia-inducible factor-1alpha by CITED2. Nat.Struct.Biol., 10, 2003
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5L6P
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![BU of 5l6p by Molmil](/molmil-images/mine/5l6p) | EphB3 kinase domain covalently bound to an irreversible inhibitor (compound 6) | Descriptor: | 1,4-DIETHYLENE DIOXIDE, Ephrin type-B receptor 3, ~{N}-(4-phenylazanylquinazolin-7-yl)ethanamide | Authors: | Schimpl, M, Overman, R, Kung, A, Chen, Y.-C, Ni, F, Zhu, J, Turner, M, Molina, H, Zhang, C. | Deposit date: | 2016-05-30 | Release date: | 2016-08-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Development of Specific, Irreversible Inhibitors for a Receptor Tyrosine Kinase EphB3. J.Am.Chem.Soc., 138, 2016
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5L6O
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![BU of 5l6o by Molmil](/molmil-images/mine/5l6o) | EphB3 kinase domain covalently bound to an irreversible inhibitor (compound 3) | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 1-(4-phenylazanylquinazolin-7-yl)ethanone, Ephrin type-B receptor 3 | Authors: | Schimpl, M, Overman, R, Kung, A, Chen, Y.-C, Ni, F, Zhu, J, Turner, M, Molina, H, Zhang, C. | Deposit date: | 2016-05-30 | Release date: | 2016-08-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Development of Specific, Irreversible Inhibitors for a Receptor Tyrosine Kinase EphB3. J.Am.Chem.Soc., 138, 2016
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1A8G
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![BU of 1a8g by Molmil](/molmil-images/mine/1a8g) | HIV-1 PROTEASE IN COMPLEX WITH SDZ283-910 | Descriptor: | HIV-1 PROTEASE, benzyl [(1R)-1-({(1S,2S,3S)-1-benzyl-2-hydroxy-4-({(1S)-1-[(2-hydroxy-4-methoxybenzyl)carbamoyl]-2-methylpropyl}amino)-3-[(4-methoxybenzyl)amino]-4-oxobutyl}carbamoyl)-2,2-dimethylpropyl]carbamate | Authors: | Kallen, J, Billich, A, Scholz, D, Auer, M, Kungl, A. | Deposit date: | 1998-03-24 | Release date: | 1998-07-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | X-ray structure and conformational dynamics of the HIV-1 protease in complex with the inhibitor SDZ283-910: agreement of time-resolved spectroscopy and molecular dynamics simulations. J.Mol.Biol., 286, 1999
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1U4L
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![BU of 1u4l by Molmil](/molmil-images/mine/1u4l) | human RANTES complexed to heparin-derived disaccharide I-S | Descriptor: | 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, ACETIC ACID, Small inducible cytokine A5 | Authors: | Shaw, J.P, Johnson, Z, Borlat, F, Zwahlen, C, Kungl, A, Roulin, K, Harrenga, A, Wells, T.N.C, Proudfoot, A.E.I. | Deposit date: | 2004-07-26 | Release date: | 2004-11-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The X-ray structure of RANTES: heparin-derived disaccharides allows the rational design of chemokine inhibitors. Structure, 12, 2004
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1U4M
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![BU of 1u4m by Molmil](/molmil-images/mine/1u4m) | human RANTES complexed to heparin-derived disaccharide III-S | Descriptor: | 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose, ACETIC ACID, Small inducible cytokine A5 | Authors: | Shaw, J.P, Johnson, Z, Borlat, F, Zwahlen, C, Kungl, A, Roulin, K, Harrenga, A, Wells, T.N.C, Proudfoot, A.E.I. | Deposit date: | 2004-07-26 | Release date: | 2004-11-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The X-ray structure of RANTES: heparin-derived disaccharides allows the rational design of chemokine inhibitors. Structure, 12, 2004
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1U4P
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![BU of 1u4p by Molmil](/molmil-images/mine/1u4p) | Crystal Structure of human RANTES mutant K45E | Descriptor: | ACETIC ACID, Small inducible cytokine A5 | Authors: | Shaw, J.P, Johnson, Z, Borlat, F, Zwahlen, C, Kungl, A, Roulin, K, Harrenga, A, Wells, T.N.C, Proudfoot, A.E.I. | Deposit date: | 2004-07-26 | Release date: | 2004-11-09 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The X-ray structure of RANTES: heparin-derived disaccharides allows the rational design of chemokine inhibitors. Structure, 12, 2004
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1U4R
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![BU of 1u4r by Molmil](/molmil-images/mine/1u4r) | Crystal Structure of human RANTES mutant 44-AANA-47 | Descriptor: | SULFATE ION, Small inducible cytokine A5 | Authors: | Shaw, J.P, Johnson, Z, Borlat, F, Zwahlen, C, Kungl, A, Roulin, K, Harrenga, A, Wells, T.N.C, Proudfoot, A.E.I. | Deposit date: | 2004-07-26 | Release date: | 2004-11-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The X-ray structure of RANTES: heparin-derived disaccharides allows the rational design of chemokine inhibitors. Structure, 12, 2004
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