5M2K
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![BU of 5m2k by Molmil](/molmil-images/mine/5m2k) | Crystal structure of vancomycin-Zn(II) complex | Descriptor: | 1,2-ETHANEDIOL, ZINC ION, vancomycin, ... | Authors: | Zarkan, A, Macklyne, H.-R, Chirgadze, D.Y, Bond, A.D, Hesketh, A.R, Hong, H.-J. | Deposit date: | 2016-10-13 | Release date: | 2017-07-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Zn(II) mediates vancomycin polymerization and potentiates its antibiotic activity against resistant bacteria. Sci Rep, 7, 2017
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2OPZ
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![BU of 2opz by Molmil](/molmil-images/mine/2opz) | AVPF bound to BIR3-XIAP | Descriptor: | AVPF (Smac homologue, N-terminal tetrapeptide), Baculoviral IAP repeat-containing protein 4, ... | Authors: | Wist, A.D. | Deposit date: | 2007-01-30 | Release date: | 2007-02-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure-activity based study of the Smac-binding pocket within the BIR3 domain of XIAP. Bioorg.Med.Chem., 15, 2007
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2P4V
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![BU of 2p4v by Molmil](/molmil-images/mine/2p4v) | Crystal structure of the transcript cleavage factor, GreB at 2.6A resolution | Descriptor: | Transcription elongation factor greB | Authors: | Vassylyeva, M.N, Svetlov, V, Dearborn, A.D, Klyuyev, S, Artsimovitch, I, Vassylyev, D.G. | Deposit date: | 2007-03-13 | Release date: | 2008-01-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The carboxy-terminal coiled-coil of the RNA polymerase beta'-subunit is the main binding site for Gre factors. Embo Rep., 8, 2007
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2ORM
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![BU of 2orm by Molmil](/molmil-images/mine/2orm) | Crystal Structure of the 4-Oxalocrotonate Tautomerase Homologue DmpI from Helicobacter pylori. | Descriptor: | Probable tautomerase HP0924 | Authors: | Hackert, M.L, Whitman, C.P, Almrud, J.J, Dasgupta, R, Czerwinski, R.M, Kern, A.D. | Deposit date: | 2007-02-03 | Release date: | 2008-02-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Kinetic and structural characterization of DmpI from Helicobacter pylori and Archaeoglobus fulgidus, two 4-oxalocrotonate tautomerase family members. Bioorg.Chem., 38, 2010
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5N0G
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![BU of 5n0g by Molmil](/molmil-images/mine/5n0g) | Crystal Structure of CobH T85A (precorrin-8x methyl mutase) complexed with C5 allyl-HBA | Descriptor: | 3-[(1~{R},2~{S},3~{S},4~{Z},7~{S},8~{S},9~{Z},15~{R},17~{R},18~{R},19~{R})-2,7,18-tris(2-hydroxy-2-oxoethyl)-3,13,17-tris(3-hydroxy-3-oxopropyl)-1,2,7,12,12,15,17-heptamethyl-5-prop-2-enyl-3,8,15,18,19,21-hexahydrocorrin-8-yl]propanoic acid, GLYCEROL, Precorrin-8X methylmutase | Authors: | Nemoto-Smith, E.H, Lawrence, A.D, Brown, D.G, Warren, M.J. | Deposit date: | 2017-02-02 | Release date: | 2018-02-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Novel cobalamin analogues and their application in the trafficking of cobalamin in bacteria, worms and plants To Be Published
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5H8G
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![BU of 5h8g by Molmil](/molmil-images/mine/5h8g) | Crystal structure of CK2 with compound 7b | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Casein kinase II subunit alpha, ... | Authors: | Ferguson, A.D. | Deposit date: | 2015-12-23 | Release date: | 2016-02-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Potent and Selective CK2 Kinase Inhibitors with Effects on Wnt Pathway Signaling in Vivo. Acs Med.Chem.Lett., 7, 2016
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5K19
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![BU of 5k19 by Molmil](/molmil-images/mine/5k19) | |
5K72
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![BU of 5k72 by Molmil](/molmil-images/mine/5k72) | IRAK4 in complex with Compound 21 | Descriptor: | Interleukin-1 receptor-associated kinase 4, SULFATE ION, ~{N}4,~{N}4-dimethyl-~{N}1-[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine | Authors: | Ferguson, A.D. | Deposit date: | 2016-05-25 | Release date: | 2017-12-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma. J. Med. Chem., 60, 2017
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5K7G
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![BU of 5k7g by Molmil](/molmil-images/mine/5k7g) | IRAK4 in complex with AZ3862 | Descriptor: | (3~{a}~{S},7~{a}~{R})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one, Interleukin-1 receptor-associated kinase 4, SULFATE ION | Authors: | Ferguson, A.D. | Deposit date: | 2016-05-26 | Release date: | 2017-12-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma. J. Med. Chem., 60, 2017
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5K1A
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![BU of 5k1a by Molmil](/molmil-images/mine/5k1a) | |
5KGG
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![BU of 5kgg by Molmil](/molmil-images/mine/5kgg) | |
5KGK
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![BU of 5kgk by Molmil](/molmil-images/mine/5kgk) | |
5K16
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![BU of 5k16 by Molmil](/molmil-images/mine/5k16) | |
5K76
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![BU of 5k76 by Molmil](/molmil-images/mine/5k76) | IRAK4 in complex with Compound 28 | Descriptor: | Interleukin-1 receptor-associated kinase 4, ~{N}-(4-morpholin-4-ylcyclohexyl)-5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine | Authors: | Ferguson, A.D. | Deposit date: | 2016-05-25 | Release date: | 2017-12-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma. J. Med. Chem., 60, 2017
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5K7I
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![BU of 5k7i by Molmil](/molmil-images/mine/5k7i) | IRAK4 in complex with AZ3864 | Descriptor: | (3~{a}~{R},7~{a}~{S})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one, Interleukin-1 receptor-associated kinase 4, SULFATE ION | Authors: | Ferguson, A.D. | Deposit date: | 2016-05-26 | Release date: | 2017-12-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma. J. Med. Chem., 60, 2017
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5K1C
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![BU of 5k1c by Molmil](/molmil-images/mine/5k1c) | Crystal structure of the UAF1/WDR20/USP12 complex | Descriptor: | PHOSPHATE ION, TRIS(HYDROXYETHYL)AMINOMETHANE, Ubiquitin carboxyl-terminal hydrolase 12, ... | Authors: | Li, H, D'Andrea, A.D, Zheng, N. | Deposit date: | 2016-05-18 | Release date: | 2016-07-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Allosteric Activation of Ubiquitin-Specific Proteases by beta-Propeller Proteins UAF1 and WDR20. Mol.Cell, 63, 2016
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2PE6
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![BU of 2pe6 by Molmil](/molmil-images/mine/2pe6) | Non-covalent complex between human SUMO-1 and human Ubc9 | Descriptor: | SUMO-conjugating enzyme UBC9, Small ubiquitin-related modifier 1 | Authors: | Capili, A.D, Lima, C.D. | Deposit date: | 2007-04-02 | Release date: | 2007-04-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure and Analysis of a Complex between SUMO and Ubc9 Illustrates Features of a Conserved E2-Ubl Interaction. J.Mol.Biol., 369, 2007
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2Q7M
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![BU of 2q7m by Molmil](/molmil-images/mine/2q7m) | Crystal structure of human FLAP with MK-591 | Descriptor: | 3-[3-(TERT-BUTYLTHIO)-1-(4-CHLOROBENZYL)-5-(QUINOLIN-2-YLMETHOXY)-1H-INDOL-2-YL]-2,2-DIMETHYLPROPANOIC ACID, Arachidonate 5-lipoxygenase-activating protein | Authors: | Ferguson, A.D. | Deposit date: | 2007-06-07 | Release date: | 2007-08-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (4.25 Å) | Cite: | Crystal structure of inhibitor-bound human 5-lipoxygenase-activating protein. Science, 317, 2007
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2OPY
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![BU of 2opy by Molmil](/molmil-images/mine/2opy) | Smac mimic bound to BIR3-XIAP | Descriptor: | 1-({2-[(1S)-1-AMINOETHYL]-1,3-OXAZOL-4-YL}CARBONYL)-L-PROLYL-L-TRYPTOPHAN, Baculoviral IAP repeat-containing protein 4, ZINC ION | Authors: | Wist, A.D, Lu, G, Riedl, S.J, Shi, Y, McLendon, G.L. | Deposit date: | 2007-01-30 | Release date: | 2007-02-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-activity based study of the Smac-binding pocket within the BIR3 domain of XIAP. Bioorg.Med.Chem., 15, 2007
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2Q7R
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![BU of 2q7r by Molmil](/molmil-images/mine/2q7r) | Crystal structure of human FLAP with an iodinated analog of MK-591 | Descriptor: | 3-[3-(3,3-DIMETHYLBUTANOYL)-1-(4-IODOBENZYL)-5-(QUINOLIN-2-YLMETHOXY)-1H-INDOL-2-YL]-2,2-DIMETHYLPROPANOIC ACID, Arachidonate 5-lipoxygenase-activating protein | Authors: | Ferguson, A.D. | Deposit date: | 2007-06-07 | Release date: | 2007-08-21 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Crystal structure of inhibitor-bound human 5-lipoxygenase-activating protein. Science, 317, 2007
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2QTR
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![BU of 2qtr by Molmil](/molmil-images/mine/2qtr) | |
2QX9
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![BU of 2qx9 by Molmil](/molmil-images/mine/2qx9) | Crystal Structure of Quinone Reductase II | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Calamini, B, Santarsiero, B.D, Boutin, J.A, Mesecar, A.D. | Deposit date: | 2007-08-10 | Release date: | 2008-09-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Kinetic, thermodynamic and X-ray structural insights into the interaction of melatonin and analogues with quinone reductase 2. Biochem.J., 413, 2008
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2QTM
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![BU of 2qtm by Molmil](/molmil-images/mine/2qtm) | |
2QIO
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![BU of 2qio by Molmil](/molmil-images/mine/2qio) | |
2QX6
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![BU of 2qx6 by Molmil](/molmil-images/mine/2qx6) | Crystal Structure of Quinone Reductase II | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Calamini, B, Santarsiero, B.D, Boutin, J.A, Mesecar, A.D. | Deposit date: | 2007-08-10 | Release date: | 2008-09-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Kinetic, thermodynamic and X-ray structural insights into the interaction of melatonin and analogues with quinone reductase 2. Biochem.J., 413, 2008
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