7JOV
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4IGH
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![BU of 4igh by Molmil](/molmil-images/mine/4igh) | High resolution crystal structure of human dihydroorotate dehydrogenase bound with 4-quinoline carboxylic acid analog | Descriptor: | 3-[decyl(dimethyl)ammonio]propane-1-sulfonate, 6-fluoro-2-[2-methyl-4-phenoxy-5-(propan-2-yl)phenyl]quinoline-4-carboxylic acid, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Deng, X, Das, P, Fontoura, B.M.A, Phillips, M.A, De Brabander, J.K. | Deposit date: | 2012-12-17 | Release date: | 2013-08-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | SAR Based Optimization of a 4-Quinoline Carboxylic Acid Analog with Potent Anti-Viral Activity. ACS MED.CHEM.LETT., 4, 2013
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1B02
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![BU of 1b02 by Molmil](/molmil-images/mine/1b02) | CRYSTAL STRUCTURE OF THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS | Descriptor: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, PROTEIN (THYMIDYLATE SYNTHASE) | Authors: | Fox, K.M, Maley, F, Garibian, A, Changchien, L, Vanroey, P. | Deposit date: | 1998-11-16 | Release date: | 1999-03-29 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of thymidylate synthase A from Bacillus subtilis. Protein Sci., 8, 1999
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6VSL
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![BU of 6vsl by Molmil](/molmil-images/mine/6vsl) | Crystal structure of a human fucosylated IgG1 Fc expressed in tobacco plants (Nicotiana benthamiana) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Immunoglobulin gamma-1 heavy chain, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-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: | Tolbert, W.D, Pazgier, M. | Deposit date: | 2020-02-11 | Release date: | 2021-02-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Enhanced Ability of Plant-Derived PGT121 Glycovariants To Eliminate HIV-1-Infected Cells. J.Virol., 95, 2021
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6VSZ
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![BU of 6vsz by Molmil](/molmil-images/mine/6vsz) | Crystal structure of a human afucosylated IgG1 Fc expressed in tobacco plants (Nicotiana benthamiana) | Descriptor: | Immunoglobulin gamma-1 heavy chain, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Tolbert, W.D, Pazgier, M. | Deposit date: | 2020-02-12 | Release date: | 2021-02-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Enhanced Ability of Plant-Derived PGT121 Glycovariants To Eliminate HIV-1-Infected Cells. J.Virol., 95, 2021
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1I1N
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![BU of 1i1n by Molmil](/molmil-images/mine/1i1n) | HUMAN PROTEIN L-ISOASPARTATE O-METHYLTRANSFERASE WITH S-ADENOSYL HOMOCYSTEINE | Descriptor: | PROTEIN-L-ISOASPARTATE O-METHYLTRANSFERASE, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Smith, C.D, Chattopadhyay, D, Carson, M, Friedman, A.M, Skinner, M.M. | Deposit date: | 2001-02-02 | Release date: | 2002-03-13 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of human L-isoaspartyl-O-methyl-transferase with S-adenosyl homocysteine at 1.6-A resolution and modeling of an isoaspartyl-containing peptide at the active site. Protein Sci., 11, 2002
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6CQ5
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![BU of 6cq5 by Molmil](/molmil-images/mine/6cq5) | TBK1 in Complex with Sulfone Analog of Amlexanox | Descriptor: | 2-amino-7-(1,1-dioxo-1lambda~6~-thian-4-yl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid, Serine/threonine-protein kinase TBK1 | Authors: | Beyett, T.S, Tesmer, J.J.G. | Deposit date: | 2018-03-14 | Release date: | 2018-12-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.354 Å) | Cite: | Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKK epsilon for the treatment of obesity. Bioorg. Med. Chem., 26, 2018
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2O8G
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![BU of 2o8g by Molmil](/molmil-images/mine/2o8g) | Rat pp1c gamma complexed with mouse inhibitor-2 | Descriptor: | MANGANESE (II) ION, Protein phosphatase inhibitor 2, Serine/threonine-protein phosphatase PP1-gamma catalytic subunit | Authors: | Hurley, T.D. | Deposit date: | 2006-12-12 | Release date: | 2007-07-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for regulation of protein phosphatase 1 by inhibitor-2. J.Biol.Chem., 282, 2007
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6BOE
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![BU of 6boe by Molmil](/molmil-images/mine/6boe) | TBK1 in complex with amide-coupled tetrazole analog of amlexanox | Descriptor: | 2-amino-5-oxo-7-(propan-2-yl)-N-(1H-tetrazol-5-yl)-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxamide, Serine/threonine-protein kinase TBK1 | Authors: | Beyett, T.S, Tesmer, J.J.G. | Deposit date: | 2017-11-19 | Release date: | 2018-09-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.598 Å) | Cite: | Carboxylic Acid Derivatives of Amlexanox Display Enhanced Potency toward TBK1 and IKKepsilonand Reveal Mechanisms for Selective Inhibition. Mol. Pharmacol., 94, 2018
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1Y9X
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7DTR
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![BU of 7dtr by Molmil](/molmil-images/mine/7dtr) | Structure of an AcrIF protein | Descriptor: | AcrIF24 | Authors: | Yue, F, Peipei, Y. | Deposit date: | 2021-01-06 | Release date: | 2022-01-19 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Insights into the inhibition of type I-F CRISPR-Cas system by a multifunctional anti-CRISPR protein AcrIF24. Nat Commun, 13, 2022
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4DVO
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![BU of 4dvo by Molmil](/molmil-images/mine/4dvo) | Room-temperature joint X-ray/neutron structure of D-xylose isomerase in complex with 2Ni2+ and per-deuterated D-sorbitol at pH 5.9 | Descriptor: | NICKEL (II) ION, Xylose isomerase, sorbitol | Authors: | Kovalevsky, A.Y, Hanson, L, Langan, P. | Deposit date: | 2012-02-23 | Release date: | 2012-08-29 | Last modified: | 2024-02-28 | Method: | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | Cite: | Inhibition of D-xylose isomerase by polyols: atomic details by joint X-ray/neutron crystallography. Acta Crystallogr.,Sect.D, 68, 2012
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4DTG
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![BU of 4dtg by Molmil](/molmil-images/mine/4dtg) | Hemostatic effect of a monoclonal antibody mAb 2021 blocking the interaction between FXa and TFPI in a rabbit hemophilia model | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Humanized recombinant FAB fragment, ... | Authors: | Svensson, L.A, Breinholt, J, Krogh, B.O, Hilden, I. | Deposit date: | 2012-02-21 | Release date: | 2012-06-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Hemostatic effect of a monoclonal antibody mAb 2021 blocking the interaction between FXa and TFPI in a rabbit hemophilia model. Blood, 119, 2012
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6CQ4
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![BU of 6cq4 by Molmil](/molmil-images/mine/6cq4) | TBK1 in Complex with Cyclohexyl Analog of Amlexanox | Descriptor: | 2-amino-7-(4,4-difluorocyclohexyl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid, Serine/threonine-protein kinase TBK1 | Authors: | Beyett, T.S, Tesmer, J.J.G. | Deposit date: | 2018-03-14 | Release date: | 2018-12-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKK epsilon for the treatment of obesity. Bioorg. Med. Chem., 26, 2018
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6CES
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![BU of 6ces by Molmil](/molmil-images/mine/6ces) | Cryo-EM structure of GATOR1-RAG | Descriptor: | GATOR complex protein DEPDC5, GATOR complex protein NPRL2, GATOR complex protein NPRL3, ... | Authors: | Shen, K, Huang, R.K, Brignole, E.J, Yu, Z, Sabatini, D.M. | Deposit date: | 2018-02-12 | Release date: | 2018-03-28 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Architecture of the human GATOR1 and GATOR1-Rag GTPases complexes. Nature, 556, 2018
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6O3T
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![BU of 6o3t by Molmil](/molmil-images/mine/6o3t) | Structural basis of FOXC2 and DNA interactions | Descriptor: | DNA (5'-D(*AP*AP*AP*TP*TP*GP*TP*TP*TP*AP*TP*AP*AP*AP*CP*AP*GP*CP*CP*CP*G)-3'), DNA (5'-D(*TP*TP*CP*GP*GP*GP*CP*TP*GP*TP*TP*TP*AP*TP*AP*AP*AP*CP*AP*AP*T)-3'), Forkhead box protein C2 | Authors: | Nam, H.-J, Li, S. | Deposit date: | 2019-02-27 | Release date: | 2020-01-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.06 Å) | Cite: | Crystal Structure of FOXC2 in Complex with DNA Target. Acs Omega, 4, 2019
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1AIQ
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![BU of 1aiq by Molmil](/molmil-images/mine/1aiq) | CRYSTAL STRUCTURE OF THYMIDYLATE SYNTHASE R126E MUTANT | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | Authors: | Strop, P, Montfort, W.R. | Deposit date: | 1997-04-23 | Release date: | 1997-11-12 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of a marginally active thymidylate synthase mutant, Arg 126-->Glu. Protein Sci., 6, 1997
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6CQ0
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![BU of 6cq0 by Molmil](/molmil-images/mine/6cq0) | TBK1 in Complex with Dimethyl Amino Analog of Amlexanox | Descriptor: | 2-amino-7-[3-(dimethylamino)propyl]-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid, Serine/threonine-protein kinase TBK1 | Authors: | Beyett, T.S, Tesmer, J.J.G. | Deposit date: | 2018-03-14 | Release date: | 2018-12-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKK epsilon for the treatment of obesity. Bioorg. Med. Chem., 26, 2018
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6BOD
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![BU of 6bod by Molmil](/molmil-images/mine/6bod) | TBK1 in complex with ethyl ester analog of amlexanox | Descriptor: | Serine/threonine-protein kinase TBK1, ethyl 2-amino-5-oxo-7-(propan-2-yl)-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylate | Authors: | Beyett, T.S, Tesmer, J.J.G. | Deposit date: | 2017-11-19 | Release date: | 2018-09-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.197 Å) | Cite: | Carboxylic Acid Derivatives of Amlexanox Display Enhanced Potency toward TBK1 and IKKepsilonand Reveal Mechanisms for Selective Inhibition. Mol. Pharmacol., 94, 2018
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6BNY
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![BU of 6bny by Molmil](/molmil-images/mine/6bny) | TBK1 in complex with tetrazole analog of amlexanox | Descriptor: | 2-amino-7-(propan-2-yl)-3-(1H-tetrazol-5-yl)-5H-[1]benzopyrano[2,3-b]pyridin-5-one, Serine/threonine-protein kinase TBK1 | Authors: | Beyett, T.S, Tesmer, J.J.G. | Deposit date: | 2017-11-17 | Release date: | 2018-09-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.341 Å) | Cite: | Carboxylic Acid Derivatives of Amlexanox Display Enhanced Potency toward TBK1 and IKKepsilonand Reveal Mechanisms for Selective Inhibition. Mol. Pharmacol., 94, 2018
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4GHI
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![BU of 4ghi by Molmil](/molmil-images/mine/4ghi) | Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains in complex with a benzoxadiazole antagonist | Descriptor: | Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1, N-(3-chloro-5-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine | Authors: | Scheuermann, T.H, Key, J, Tambar, U.K, Bruick, R.K, Gardner, K.H. | Deposit date: | 2012-08-07 | Release date: | 2013-02-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Allosteric inhibition of hypoxia inducible factor-2 with small molecules. Nat.Chem.Biol., 9, 2013
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2VD4
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![BU of 2vd4 by Molmil](/molmil-images/mine/2vd4) | Structure of small-molecule inhibitor of Glmu from Haemophilus influenzae reveals an allosteric binding site | Descriptor: | 4-chloro-N-(3-methoxypropyl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]benzamide, BIFUNCTIONAL PROTEIN GLMU, MAGNESIUM ION, ... | Authors: | Mochalkin, I, Lightle, S, McDowell, L. | Deposit date: | 2007-09-28 | Release date: | 2008-01-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of a Small-Molecule Inhibitor Complexed with Glmu from Haemophilus Influenzae Reveals an Allosteric Binding Site. Protein Sci., 17, 2008
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6CET
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![BU of 6cet by Molmil](/molmil-images/mine/6cet) | Cryo-EM structure of GATOR1 | Descriptor: | GATOR complex protein DEPDC5, GATOR complex protein NPRL2, GATOR complex protein NPRL3 | Authors: | Shen, K, Huang, R.K, Brignole, E.J, Yu, Z, Sabatini, D.M. | Deposit date: | 2018-02-12 | Release date: | 2018-03-28 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Architecture of the human GATOR1 and GATOR1-Rag GTPases complexes. Nature, 556, 2018
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7EAK
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![BU of 7eak by Molmil](/molmil-images/mine/7eak) | Echovirus3 full particle in complex with 5G3 fab | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | Authors: | Feng, R. | Deposit date: | 2021-03-07 | Release date: | 2021-07-14 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural basis for neutralization of an anicteric hepatitis associated echovirus by a potent neutralizing antibody. Cell Discov, 7, 2021
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7EAH
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![BU of 7eah by Molmil](/molmil-images/mine/7eah) | Echovirus3 empty expanded particle | Descriptor: | Capsid protein VP0, Capsid protein VP1, Capsid protein VP3 | Authors: | Feng, R. | Deposit date: | 2021-03-07 | Release date: | 2021-07-14 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis for neutralization of an anicteric hepatitis associated echovirus by a potent neutralizing antibody. Cell Discov, 7, 2021
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