5UT0
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![BU of 5ut0 by Molmil](/molmil-images/mine/5ut0) | JAK2 JH2 in complex with AT9283 | Descriptor: | 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Puleo, D.E, Schlessinger, J. | Deposit date: | 2017-02-14 | Release date: | 2017-06-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | Identification and Characterization of JAK2 Pseudokinase Domain Small Molecule Binders. ACS Med Chem Lett, 8, 2017
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4NCG
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![BU of 4ncg by Molmil](/molmil-images/mine/4ncg) | Discovery of Doravirine, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses | Descriptor: | 3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT | Authors: | Yan, Y. | Deposit date: | 2013-10-24 | Release date: | 2014-02-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Discovery of MK-1439, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses. Bioorg.Med.Chem.Lett., 24, 2014
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4AA4
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![BU of 4aa4 by Molmil](/molmil-images/mine/4aa4) | P38ALPHA MAP KINASE BOUND TO CMPD 22 | Descriptor: | MITOGEN-ACTIVATED PROTEIN KINASE 14, N-[4-METHYL-3-[6-(4-METHYLPIPERAZIN-1-YL)-4-OXIDANYLIDENE-QUINAZOLIN-3-YL]PHENYL]FURAN-3-CARBOXAMIDE | Authors: | Gerhardt, S, Hargreaves, D. | Deposit date: | 2011-11-30 | Release date: | 2012-05-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases Bioorg.Med.Chem.Lett., 22, 2012
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4A9Y
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![BU of 4a9y by Molmil](/molmil-images/mine/4a9y) | P38ALPHA MAP KINASE BOUND TO CMPD 8 | Descriptor: | MITOGEN-ACTIVATED PROTEIN KINASE 14, N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}-4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE | Authors: | Gerhardt, S, Hargreaves, D. | Deposit date: | 2011-11-29 | Release date: | 2012-05-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases Bioorg.Med.Chem.Lett., 22, 2012
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4AA0
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![BU of 4aa0 by Molmil](/molmil-images/mine/4aa0) | P38ALPHA MAP KINASE BOUND TO CMPD 2 | Descriptor: | MITOGEN-ACTIVATED PROTEIN KINASE 14, N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinazolin-3-yl]phenyl]-2-morpholin-4-yl-pyridine-4-carboxamide | Authors: | Gerhardt, S, Hargreaves, D. | Deposit date: | 2011-11-30 | Release date: | 2012-05-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases Bioorg.Med.Chem.Lett., 22, 2012
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4AAC
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![BU of 4aac by Molmil](/molmil-images/mine/4aac) | P38ALPHA MAP KINASE BOUND TO CMPD 29 | Descriptor: | CHLORIDE ION, MITOGEN-ACTIVATED PROTEIN KINASE 14, N-isoxazol-3-yl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxo-quinazolin-3-yl]benzamide | Authors: | Gerhardt, S, Hargreaves, D. | Deposit date: | 2011-12-01 | Release date: | 2012-05-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases Bioorg.Med.Chem.Lett., 22, 2012
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4AA5
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![BU of 4aa5 by Molmil](/molmil-images/mine/4aa5) | P38ALPHA MAP KINASE BOUND TO CMPD 33 | Descriptor: | MITOGEN-ACTIVATED PROTEIN KINASE 14, N-CYCLOPROPYL-4-METHYL-3-[6-(4-METHYLPIPERAZIN-1-YL)-4-OXIDANYLIDENE-QUINAZOLIN-3-YL]BENZAMIDE | Authors: | Gerhardt, S, Hargreaves, D. | Deposit date: | 2011-11-30 | Release date: | 2012-05-16 | Last modified: | 2019-02-06 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases Bioorg.Med.Chem.Lett., 22, 2012
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1CUK
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![BU of 1cuk by Molmil](/molmil-images/mine/1cuk) | |
2MXC
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![BU of 2mxc by Molmil](/molmil-images/mine/2mxc) | Solution structure of the full length sorting nexin 3 | Descriptor: | Sorting nexin-3 | Authors: | Lenoir, M.M.L, Rajesh, S.S.R, Gruenberg, J.J.G, Overduin, M.M.O, Kaur, J.J.K. | Deposit date: | 2014-12-20 | Release date: | 2016-05-04 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Phosphorylation of conserved phosphoinositide binding pocket regulates sorting nexin membrane targeting. Nat Commun, 9, 2018
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1T9I
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![BU of 1t9i by Molmil](/molmil-images/mine/1t9i) | I-CreI(D20N)/DNA complex | Descriptor: | 5'-D(*CP*GP*AP*AP*AP*CP*TP*GP*TP*CP*TP*CP*AP*CP*GP*AP*CP*GP*TP*TP*TP*TP*GP*C)-3', 5'-D(*GP*CP*AP*AP*AP*AP*CP*GP*TP*CP*GP*TP*GP*AP*GP*AP*CP*AP*GP*TP*TP*TP*CP*G)-3', CALCIUM ION, ... | Authors: | Chevalier, B, Sussman, D, Otis, C, Boudreau, D, Turmel, M, Lemieux, C, Stephens, K, Monnat Jr, R.J, Stoddard, B.L. | Deposit date: | 2004-05-17 | Release date: | 2004-11-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Metal-Dependent DNA Cleavage Mechanism of the I-CreI LAGLIDADG Homing Endonuclease. Biochemistry, 43, 2004
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1T9J
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![BU of 1t9j by Molmil](/molmil-images/mine/1t9j) | I-CreI(Q47E)/DNA complex | Descriptor: | 5'-D(*CP*GP*AP*AP*AP*CP*TP*GP*TP*CP*TP*CP*AP*CP*GP*AP*CP*GP*TP*TP*TP*TP*GP*C)-3', 5'-D(*GP*CP*AP*AP*AP*AP*CP*GP*TP*CP*GP*TP*GP*AP*GP*AP*CP*AP*GP*TP*TP*TP*CP*G)-3', DNA endonuclease I-CreI | Authors: | Chevalier, B, Sussman, D, Otis, C, Boudreau, D, Turmel, M, Lemieux, C, Stephens, K, Monnat Jr, R.J, Stoddard, B.L. | Deposit date: | 2004-05-17 | Release date: | 2004-11-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Metal-Dependent DNA Cleavage Mechanism of the I-CreI LAGLIDADG Homing Endonuclease. Biochemistry, 43, 2004
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4FVR
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![BU of 4fvr by Molmil](/molmil-images/mine/4fvr) | |