6B92
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![BU of 6b92 by Molmil](/molmil-images/mine/6b92) | Crystal Structure of the N-terminal domain of human METTL16 in complex with SAH | Descriptor: | 1,2-ETHANEDIOL, S-ADENOSYL-L-HOMOCYSTEINE, U6 small nuclear RNA (adenine-(43)-N(6))-methyltransferase | Authors: | Ruszkowska, A, Ruszkowski, M, Dauter, Z, Brown, J.A. | Deposit date: | 2017-10-09 | Release date: | 2018-04-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural insights into the RNA methyltransferase domain of METTL16. Sci Rep, 8, 2018
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1ZSP
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![BU of 1zsp by Molmil](/molmil-images/mine/1zsp) | Contribution to Structure and Catalysis of Tyrosine 34 in Human Manganese Superoxide Dismutase | Descriptor: | MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial | Authors: | Hearn, A.S, Perry, J.J, Cabelli, D.E, Tainer, J.A, Nick, H.S, Silverman, D.S. | Deposit date: | 2005-05-24 | Release date: | 2006-05-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Contribution of human manganese superoxide dismutase tyrosine 34 to structure and catalysis. Biochemistry, 48, 2009
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6V1I
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![BU of 6v1i by Molmil](/molmil-images/mine/6v1i) | Cryo-EM reconstruction of the thermophilic bacteriophage P74-26 small terminase- symmetric | Descriptor: | Small terminase protein | Authors: | Hayes, J.A, Hilbert, B.J, Gaubitz, C, Stone, N.P, Kelch, B.A. | Deposit date: | 2019-11-20 | Release date: | 2020-02-12 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | A thermophilic phage uses a small terminase protein with a fixed helix-turn-helix geometry. J.Biol.Chem., 295, 2020
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1ZRB
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![BU of 1zrb by Molmil](/molmil-images/mine/1zrb) | Thrombin in complex with an azafluorenyl inhibitor 23b | Descriptor: | 11-peptide hirudin fragment, 3-AZA-9-HYDROXY-9-FLUORENYLCARBONYL-L-PROLYL-2-AMINOMETHYL-5-CHLOROBENZYLAMIDE, N-OXIDE, ... | Authors: | Stauffer, K.J, Williams, P.D, Selnick, H.G, Nantermet, P.G, Newton, C.L, Homnick, C.F, Zrada, M.M, Lewis, S.D, Lucas, B.J, Krueger, J.A, Pietrak, B.L, Lyle, E.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Wallace, A.A, Sitko, G.R, Cook, J.J, Holahan, M.A, Stranieri-Michener, M, Leonard, Y.M, Lynch Jr, J.J, McMasters, D.R, Yan, Y. | Deposit date: | 2005-05-19 | Release date: | 2005-06-07 | Last modified: | 2013-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 9-hydroxyazafluorenes and their use in thrombin inhibitors J.Med.Chem., 48, 2005
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1ZTE
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![BU of 1zte by Molmil](/molmil-images/mine/1zte) | Contribution to Structure and Catalysis of Tyrosine 34 in Human Manganese Suerpoxide Dismutase | Descriptor: | MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial | Authors: | Hearn, A.S, Perry, J.J, Cabelii, D.E, Tainer, J.A, Nick, H.S, Silverman, D.S. | Deposit date: | 2005-05-26 | Release date: | 2006-05-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Contribution of human manganese superoxide dismutase tyrosine 34 to structure and catalysis. Biochemistry, 48, 2009
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5CFP
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![BU of 5cfp by Molmil](/molmil-images/mine/5cfp) | Crystal structure of anemone STING (Nematostella vectensis) 'humanized' F276K in complex with 3', 3' c-di-GMP, c[G(3', 5')pG(3', 5')p]' | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Stimulator of Interferon Genes | Authors: | Kranzusch, P.J, Wilson, S.C, Lee, A.S.Y, Berger, J.M, Doudna, J.A, Vance, R.E. | Deposit date: | 2015-07-08 | Release date: | 2015-08-26 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.066 Å) | Cite: | Ancient Origin of cGAS-STING Reveals Mechanism of Universal 2',3' cGAMP Signaling. Mol.Cell, 59, 2015
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5CNK
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![BU of 5cnk by Molmil](/molmil-images/mine/5cnk) | mglur3 with glutamate | Descriptor: | GLUTAMIC ACID, IODIDE ION, Metabotropic glutamate receptor 3 | Authors: | Monn, J.A, Clawson, D.K. | Deposit date: | 2015-07-17 | Release date: | 2015-09-09 | Last modified: | 2023-02-15 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist. J.Med.Chem., 58, 2015
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6CJG
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![BU of 6cjg by Molmil](/molmil-images/mine/6cjg) | Human dihydroorotate dehydrogenase bound to napthyridine inhibitor 46 | Descriptor: | 2-([1,1'-biphenyl]-4-yl)-3-methyl-1,7-naphthyridine-4-carboxylic acid, 3-[decyl(dimethyl)ammonio]propane-1-sulfonate, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2018-02-26 | Release date: | 2018-05-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.851 Å) | Cite: | Design, Synthesis, and Biological Evaluation of 4-Quinoline Carboxylic Acids as Inhibitors of Dihydroorotate Dehydrogenase. J. Med. Chem., 61, 2018
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5CFO
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![BU of 5cfo by Molmil](/molmil-images/mine/5cfo) | Crystal structure of anemone STING (Nematostella vectensis) in apo 'rotated' open conformation | Descriptor: | Stimulator of Interferon Genes | Authors: | Kranzusch, P.J, Wilson, S.C, Lee, A.S.Y, Berger, J.M, Doudna, J.A, Vance, R.E. | Deposit date: | 2015-07-08 | Release date: | 2015-08-26 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | Ancient Origin of cGAS-STING Reveals Mechanism of Universal 2',3' cGAMP Signaling. Mol.Cell, 59, 2015
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6BZP
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![BU of 6bzp by Molmil](/molmil-images/mine/6bzp) | STGGYG from low-complexity domain of FUS, residues 77-82 | Descriptor: | 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, RNA-binding protein FUS | Authors: | Hughes, M.P, Rodriguez, J.A, Sawaya, M.R, Cascio, D, Gonen, T, Eisenberg, D.S. | Deposit date: | 2017-12-25 | Release date: | 2018-04-04 | Last modified: | 2024-03-13 | Method: | ELECTRON CRYSTALLOGRAPHY (1.1 Å) | Cite: | Atomic structures of low-complexity protein segments reveal kinked beta sheets that assemble networks. Science, 359, 2018
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5CFL
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![BU of 5cfl by Molmil](/molmil-images/mine/5cfl) | Crystal structure of anemone STING (Nematostella vectensis) in complex with 3', 3' c-di-GMP, c[G(3', 5')pG(3', 5')p] | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CITRATE ANION, Stimulator of Interferon Genes | Authors: | Kranzusch, P.J, Wilson, S.C, Lee, A.S.Y, Berger, J.M, Doudna, J.A, Vance, R.E. | Deposit date: | 2015-07-08 | Release date: | 2015-08-26 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.836 Å) | Cite: | Ancient Origin of cGAS-STING Reveals Mechanism of Universal 2',3' cGAMP Signaling. Mol.Cell, 59, 2015
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5CH7
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![BU of 5ch7 by Molmil](/molmil-images/mine/5ch7) | Crystal structure of the perchlorate reductase PcrAB - Phe164 gate switch intermediate - from Azospira suillum PS | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, ACETATE ION, ... | Authors: | Tsai, C.-L, Tainer, J.A. | Deposit date: | 2015-07-10 | Release date: | 2016-03-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Perchlorate Reductase Is Distinguished by Active Site Aromatic Gate Residues. J.Biol.Chem., 291, 2016
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1ZUQ
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![BU of 1zuq by Molmil](/molmil-images/mine/1zuq) | Contribution to Structure and Catalysis of Tyrosine 34 in Human Manganese Superoxide Dismutase | Descriptor: | MANGANESE (II) ION, Superoxide dismutase | Authors: | Hearn, A.S, Perry, J.J, Cabelii, D.E, Tainer, J.A, Nick, H.S, Silverman, D.S. | Deposit date: | 2005-05-31 | Release date: | 2006-05-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Contribution of human manganese superoxide dismutase tyrosine 34 to structure and catalysis. Biochemistry, 48, 2009
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5CM6
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![BU of 5cm6 by Molmil](/molmil-images/mine/5cm6) | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM PSEUDOALTEROMONAS ATLANTICA T6c(Patl_2292, TARGET EFI-510180) WITH BOUND SODIUM AND PYRUVATE | Descriptor: | PYRUVIC ACID, SODIUM ION, TRAP dicarboxylate transporter-DctP subunit | Authors: | Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2015-07-16 | Release date: | 2015-07-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM PSEUDOALTEROMONAS ATLANTICA T6c(Patl_2292, TARGET EFI-510180) WITH BOUND SODIUM AND PYRUVATE To be published
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5CNJ
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![BU of 5cnj by Molmil](/molmil-images/mine/5cnj) | mGlur2 with glutamate analog | Descriptor: | (1R,2S,4R,5R,6R)-2-amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 2 | Authors: | Monn, J.A, Clawson, D.K. | Deposit date: | 2015-07-17 | Release date: | 2015-09-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist. J.Med.Chem., 58, 2015
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5CFR
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![BU of 5cfr by Molmil](/molmil-images/mine/5cfr) | Crystal structure of anemone STING (Nematostella vectensis) in apo 'unrotated' closed conformation | Descriptor: | CALCIUM ION, Stimulator of Interferon Genes | Authors: | Kranzusch, P.J, Wilson, S.C, Lee, A.S.Y, Berger, J.M, Doudna, J.A, Vance, R.E. | Deposit date: | 2015-07-08 | Release date: | 2015-08-26 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Ancient Origin of cGAS-STING Reveals Mechanism of Universal 2',3' cGAMP Signaling. Mol.Cell, 59, 2015
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5CGD
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![BU of 5cgd by Molmil](/molmil-images/mine/5cgd) | Structure of the human class C GPCR metabotropic glutamate receptor 5 transmembrane domain in complex with the negative allosteric modulator 3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile - (HTL14242) | Descriptor: | 3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile, Metabotropic glutamate receptor 5,Endolysin,Metabotropic glutamate receptor 5, OLEIC ACID | Authors: | Christopher, J.A, Aves, S.J, Bennett, K.A, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Okrasa, K, Serrano-Vega, M.J, Tehan, B.G, Wiggin, G.R, Congreve, M. | Deposit date: | 2015-07-09 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.603 Å) | Cite: | Fragment and Structure-Based Drug Discovery for a Class C GPCR: Discovery of the mGlu5 Negative Allosteric Modulator HTL14242 (3-Chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile). J.Med.Chem., 58, 2015
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5CGC
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![BU of 5cgc by Molmil](/molmil-images/mine/5cgc) | Structure of the human class C GPCR metabotropic glutamate receptor 5 transmembrane domain in complex with the negative allosteric modulator 3-chloro-4-fluoro-5-[6-(1H-pyrazol-1-yl)pyrimidin-4-yl]benzonitrile | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-chloro-4-fluoro-5-[6-(1H-pyrazol-1-yl)pyrimidin-4-yl]benzonitrile, Metabotropic glutamate receptor 5,Endolysin,Metabotropic glutamate receptor 5, ... | Authors: | Christopher, J.A, Aves, S.J, Bennett, K.A, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Okrasa, K, Serrano-Vega, M.J, Tehan, B.G, Wiggin, G.R, Congreve, M. | Deposit date: | 2015-07-09 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.101 Å) | Cite: | Fragment and Structure-Based Drug Discovery for a Class C GPCR: Discovery of the mGlu5 Negative Allosteric Modulator HTL14242 (3-Chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile). J.Med.Chem., 58, 2015
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5CHC
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![BU of 5chc by Molmil](/molmil-images/mine/5chc) | Crystal structure of the perchlorate reductase PcrAB - substrate analog SeO3 bound - from Azospira suillum PS | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, BISELENITE ION, ... | Authors: | Tsai, C.-L, Tainer, J.A. | Deposit date: | 2015-07-10 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Perchlorate Reductase Is Distinguished by Active Site Aromatic Gate Residues. J.Biol.Chem., 291, 2016
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6CLC
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![BU of 6clc by Molmil](/molmil-images/mine/6clc) | 1.01 A MicroED structure of GSNQNNF at 0.27 e- / A^2 | Descriptor: | ACETATE ION, GSNQNNF, ZINC ION | Authors: | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | Deposit date: | 2018-03-02 | Release date: | 2018-05-16 | Last modified: | 2024-03-13 | Method: | ELECTRON CRYSTALLOGRAPHY (1.01 Å) | Cite: | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM. Structure, 26, 2018
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6CLH
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![BU of 6clh by Molmil](/molmil-images/mine/6clh) | 1.37 A MicroED structure of GSNQNNF at 2.9 e- / A^2 | Descriptor: | ACETATE ION, GSNQNNF, ZINC ION | Authors: | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | Deposit date: | 2018-03-02 | Release date: | 2018-05-16 | Last modified: | 2024-03-13 | Method: | ELECTRON CRYSTALLOGRAPHY (1.37 Å) | Cite: | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM. Structure, 26, 2018
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6CLP
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![BU of 6clp by Molmil](/molmil-images/mine/6clp) | 1.16 A MicroED structure of GSNQNNF at 2.5 e- / A^2 | Descriptor: | ACETATE ION, GSNQNNF, ZINC ION | Authors: | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | Deposit date: | 2018-03-02 | Release date: | 2018-05-16 | Last modified: | 2024-03-13 | Method: | ELECTRON CRYSTALLOGRAPHY (1.16 Å) | Cite: | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM. Structure, 26, 2018
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6CMH
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![BU of 6cmh by Molmil](/molmil-images/mine/6cmh) | SYNTHETIC LINEAR MODIFIED ENDOTHELIN-1 AGONIST | Descriptor: | PROTEIN (ENDOTHELIN-1) | Authors: | Hewage, C.M, Jiang, L, Parkinson, J.A, Ramage, R, Sadler, I.H. | Deposit date: | 1998-09-03 | Release date: | 1999-09-29 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of a novel ETB receptor selective agonist ET1-21 [Cys(Acm)1,15, Aib3,11, Leu7] by nuclear magnetic resonance spectroscopy and molecular modelling. J.Pept.Res., 53, 1999
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5CNI
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![BU of 5cni by Molmil](/molmil-images/mine/5cni) | mGlu2 with Glutamate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLUTAMIC ACID, ... | Authors: | Clawson, D.K, Atwell, S, Monn, J.A. | Deposit date: | 2015-07-17 | Release date: | 2015-09-09 | Last modified: | 2023-02-15 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist. J.Med.Chem., 58, 2015
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6VBA
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![BU of 6vba by Molmil](/molmil-images/mine/6vba) | Structure of human Uracil DNA Glycosylase (UDG) bound to Aurintricarboxylic acid (ATA) | Descriptor: | 3,3'-[(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylene]bis(6-hydroxybenzoic acid), Uracil-DNA glycosylase | Authors: | Moiani, D, Arvai, A.S, Tainer, J.A. | Deposit date: | 2019-12-18 | Release date: | 2021-03-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | An effective human uracil-DNA glycosylase inhibitor targets the open pre-catalytic active site conformation. Prog.Biophys.Mol.Biol., 163, 2021
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