5MNI
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![BU of 5mni by Molmil](/molmil-images/mine/5mni) | Escherichia coli AGPase mutant R130A apo form | Descriptor: | Glucose-1-phosphate adenylyltransferase | Authors: | Cifuente, J.O, Comino, N, Marina, A, Orrantia, A, Eguskiza, A, Guerin, M.E. | Deposit date: | 2016-12-13 | Release date: | 2017-03-01 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | Mechanistic insights into the allosteric regulation of bacterial ADP-glucose pyrophosphorylases. J. Biol. Chem., 292, 2017
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4Q7E
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![BU of 4q7e by Molmil](/molmil-images/mine/4q7e) | Non-phosphorylated HemR Receiver Domain from Leptospira biflexa | Descriptor: | GLYCEROL, Response regulator of a two component regulatory system, SULFATE ION | Authors: | Morero, N.R, Buschiazzo, A. | Deposit date: | 2014-04-24 | Release date: | 2014-05-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.441 Å) | Cite: | HemR is an OmpR/PhoB-like response regulator from Leptospira, which simultaneously effects transcriptional activation and repression of key haem metabolism genes. Mol.Microbiol., 94, 2014
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8TFW
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5G15
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![BU of 5g15 by Molmil](/molmil-images/mine/5g15) | Structure Aurora A (122-403) bound to activating monobody Mb1 and AMPPCP | Descriptor: | AURORA A KINASE, MAGNESIUM ION, MB1 MONOBODY, ... | Authors: | Zorba, A, Kutter, S, Kern, D, Koide, S, Koide, A. | Deposit date: | 2016-03-23 | Release date: | 2018-03-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Allosteric modulation of a human protein kinase with monobodies. Proc.Natl.Acad.Sci.USA, 116, 2019
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6PDG
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![BU of 6pdg by Molmil](/molmil-images/mine/6pdg) | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 83 | Descriptor: | 5-ethoxy-2-fluoro-3-methyl-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | Authors: | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | Deposit date: | 2019-06-18 | Release date: | 2020-04-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.919 Å) | Cite: | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
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6S50
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3NYV
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6AHS
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![BU of 6ahs by Molmil](/molmil-images/mine/6ahs) | Mouse Kallikrein 7 in complex with imidazolinylindole derivative | Descriptor: | 1-[(2-chlorophenyl)sulfonyl]-5-methyl-3-[(4R)-2-methyl-4,5-dihydro-1H-imidazol-4-yl]-1H-indole, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Sugawara, H. | Deposit date: | 2018-08-20 | Release date: | 2019-01-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery and structure-activity relationship of imidazolinylindole derivatives as kallikrein 7 inhibitors. Bioorg. Med. Chem. Lett., 29, 2019
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8TAV
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6PDA
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![BU of 6pda by Molmil](/molmil-images/mine/6pda) | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 74 | Descriptor: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyridin-2-yl)benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | Authors: | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | Deposit date: | 2019-06-18 | Release date: | 2020-04-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.448 Å) | Cite: | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
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6PDE
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![BU of 6pde by Molmil](/molmil-images/mine/6pde) | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 40 | Descriptor: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-propoxybenzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | Authors: | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | Deposit date: | 2019-06-18 | Release date: | 2020-04-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
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3F6D
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![BU of 3f6d by Molmil](/molmil-images/mine/3f6d) | Crystal Structure of a Genetically Modified Delta Class GST (adGSTD4-4) from Anopheles dirus, F123A, in Complex with S-Hexyl Glutathione | Descriptor: | Glutathione transferase GST1-4, S-HEXYLGLUTATHIONE | Authors: | Wongsantichon, J, Robinson, R.C, Ketterman, A.J. | Deposit date: | 2008-11-05 | Release date: | 2009-10-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural contributions of delta class glutathione transferase active-site residues to catalysis Biochem.J., 428, 2010
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5FF1
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![BU of 5ff1 by Molmil](/molmil-images/mine/5ff1) | Two way mode of binding of antithyroid drug methimazole to mammalian heme peroxidases: Structure of the complex of lactoperoxidase with methimazole at 1.97 Angstrom resolution | Descriptor: | 1-METHYL-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Singh, R.P, Singh, A, Sirohi, H, Singh, A.K, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2015-12-17 | Release date: | 2016-01-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Dual binding mode of antithyroid drug methimazole to mammalian heme peroxidases - structural determination of the lactoperoxidase-methimazole complex at 1.97 angstrom resolution. Febs Open Bio, 6, 2016
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5XGO
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![BU of 5xgo by Molmil](/molmil-images/mine/5xgo) | The Ferritin E-Domain: Toward Understanding Its Role in Protein Cage Assembly Through the Crystal Structure of a Maxi-/Mini-Ferritin Chimera | Descriptor: | CHLORIDE ION, DNA protection during starvation protein,Bacterioferritin | Authors: | Cornell, T.A, Srivastava, Y, Jauch, R, Fan, R, Orner, B.P. | Deposit date: | 2017-04-14 | Release date: | 2018-02-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | The Crystal Structure of a Maxi/Mini-Ferritin Chimera Reveals Guiding Principles for the Assembly of Protein Cages. Biochemistry, 56, 2017
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6Y1X
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![BU of 6y1x by Molmil](/molmil-images/mine/6y1x) | X-ray structure of the radical SAM protein NifB, a key nitrogenase maturating enzyme | Descriptor: | CHLORIDE ION, IRON/SULFUR CLUSTER, Radical SAM domain protein, ... | Authors: | Sosa-Fajardo, A, Legrand, P, Paya-Tormo, L, Martin, L, Pellicer-Martinez, M.T, Echavarri-Erasun, C, Vernede, X, Rubio, L.M, Nicolet, Y. | Deposit date: | 2020-02-14 | Release date: | 2020-06-17 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural Insights into the Mechanism of the Radical SAM Carbide Synthase NifB, a Key Nitrogenase Cofactor Maturating Enzyme. J.Am.Chem.Soc., 142, 2020
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3NRB
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5XP7
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![BU of 5xp7 by Molmil](/molmil-images/mine/5xp7) | C-Src in complex with ATP-CHCl | Descriptor: | GLYCEROL, MAGNESIUM ION, Proto-oncogene tyrosine-protein kinase Src, ... | Authors: | Guo, M, Dai, S, Duan, Y, Chen, L, Chen, Y. | Deposit date: | 2017-06-01 | Release date: | 2017-09-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.012 Å) | Cite: | Remarkably Stereospecific Utilization of ATP alpha , beta-Halomethylene Analogues by Protein Kinases. J. Am. Chem. Soc., 139, 2017
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5MWG
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![BU of 5mwg by Molmil](/molmil-images/mine/5mwg) | Crystal structure of the human BRPF1 bromodomain in complex with BZ091 | Descriptor: | NITRATE ION, Peregrin, ~{N}-[1,4-dimethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide | Authors: | Zhu, J, Caflisch, A. | Deposit date: | 2017-01-18 | Release date: | 2018-02-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-based discovery of selective BRPF1 bromodomain inhibitors. Eur J Med Chem, 155, 2018
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6ANZ
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6PD9
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![BU of 6pd9 by Molmil](/molmil-images/mine/6pd9) | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 60 | Descriptor: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(1H-pyrazol-1-yl)benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | Authors: | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | Deposit date: | 2019-06-18 | Release date: | 2020-04-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
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6PDF
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![BU of 6pdf by Molmil](/molmil-images/mine/6pdf) | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 55 | Descriptor: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(2H-1,2,3-triazol-2-yl)benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | Authors: | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | Deposit date: | 2019-06-18 | Release date: | 2020-04-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
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5XJY
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![BU of 5xjy by Molmil](/molmil-images/mine/5xjy) | Cryo-EM structure of human ABCA1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ATP-binding cassette sub-family A member 1, ... | Authors: | Qian, H.W, Yan, N, Gong, X. | Deposit date: | 2017-05-04 | Release date: | 2017-06-07 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structure of the Human Lipid Exporter ABCA1. Cell, 169, 2017
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5FRC
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![BU of 5frc by Molmil](/molmil-images/mine/5frc) | Structure of urate oxidase prepared by the 'soak-and-freeze' method under 42 bar of oxygen pressure | Descriptor: | 8-AZAXANTHINE, OXYGEN MOLECULE, SODIUM ION, ... | Authors: | Lafumat, B, Mueller-Dieckmann, C, Colloc'h, N, Prange, T, Royant, A, van der Linden, P, Carpentier, P. | Deposit date: | 2015-12-16 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.443 Å) | Cite: | Gas-Sensitive Biological Crystals Processed in Pressurized Oxygen and Krypton Atmospheres: Deciphering Gas Channels in Proteins Using a Novel `Soak-and-Freeze' Methodology. J.Appl.Crystallogr., 49, 2016
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6SGK
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![BU of 6sgk by Molmil](/molmil-images/mine/6sgk) | Nek2 kinase bound to inhibitor 102 | Descriptor: | 2-phenylazanyl-9~{H}-purine-6-carbonitrile, Serine/threonine-protein kinase Nek2 | Authors: | Richards, M.W, Mas-Droux, C.P, Bayliss, R. | Deposit date: | 2019-08-05 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 2-Arylamino-6-ethynylpurines are cysteine-targeting irreversible inhibitors of Nek2 kinase. Rsc Med Chem, 11, 2020
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6PH9
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![BU of 6ph9 by Molmil](/molmil-images/mine/6ph9) | Crystal Structure of the Klebsiella pneumoniae LpxH-lipid X complex | Descriptor: | (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Cho, J, Zhou, P. | Deposit date: | 2019-06-25 | Release date: | 2020-02-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structural basis of the UDP-diacylglucosamine pyrophosphohydrolase LpxH inhibition by sulfonyl piperazine antibiotics. Proc.Natl.Acad.Sci.USA, 117, 2020
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