5S4I
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![BU of 5s4i by Molmil](/molmil-images/mine/5s4i) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF051 | Descriptor: | (5S)-1-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione, Non-structural protein 3 | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | Deposit date: | 2020-11-02 | Release date: | 2021-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.131 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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2EV4
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![BU of 2ev4 by Molmil](/molmil-images/mine/2ev4) | Structure of Rv1264N, the regulatory domain of the mycobacterial adenylyl cylcase Rv1264, with a salt precipitant | Descriptor: | CHLORIDE ION, Hypothetical protein Rv1264/MT1302, OLEIC ACID | Authors: | Findeisen, F, Tews, I, Sinning, I. | Deposit date: | 2005-10-30 | Release date: | 2006-11-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | The structure of the regulatory domain of the adenylyl cyclase Rv1264 from Mycobacterium tuberculosis with bound oleic acid J.Mol.Biol., 369, 2007
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5S4H
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![BU of 5s4h by Molmil](/molmil-images/mine/5s4h) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF048 | Descriptor: | 1-carbamoylpiperidine-4-carboxylic acid, Non-structural protein 3 | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | Deposit date: | 2020-11-02 | Release date: | 2021-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.175 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5S4F
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![BU of 5s4f by Molmil](/molmil-images/mine/5s4f) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF003 | Descriptor: | 1,8-naphthyridine, Non-structural protein 3, SULFATE ION | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | Deposit date: | 2020-11-02 | Release date: | 2021-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.131 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5S4G
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![BU of 5s4g by Molmil](/molmil-images/mine/5s4g) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF005 | Descriptor: | Non-structural protein 3, SULFATE ION, [1,2,4]triazolo[4,3-a]pyridin-3-amine | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | Deposit date: | 2020-11-02 | Release date: | 2021-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.172 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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2CJB
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![BU of 2cjb by Molmil](/molmil-images/mine/2cjb) | Crystal structure of Methanosarcina barkeri seryl-tRNA synthetase complexed with serine | Descriptor: | CHLORIDE ION, SERINE, SERYL-TRNA SYNTHETASE, ... | Authors: | Bilokapic, S, Maier, T, Ahel, D, Gruic-Sovulj, I, Soll, D, Weygand-Durasevic, I, Ban, N. | Deposit date: | 2006-03-30 | Release date: | 2006-06-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of the Unusual Seryl-tRNA Synthetase Reveals a Distinct Zinc-Dependent Mode of Substrate Recognition Embo J., 25, 2006
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2D31
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![BU of 2d31 by Molmil](/molmil-images/mine/2d31) | Crystal structure of disulfide-linked HLA-G dimer | Descriptor: | 9-mer peptide from Histone H2A, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Shiroishi, M, Kuroki, K, Ose, T, Rasubala, L, Shiratori, I, Arase, H, Tsumoto, K, Kumagai, I, Kohda, D, Maenaka, K. | Deposit date: | 2005-09-23 | Release date: | 2006-03-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Efficient Leukocyte Ig-like Receptor Signaling and Crystal Structure of Disulfide-linked HLA-G Dimer J.Biol.Chem., 281, 2006
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6HPN
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![BU of 6hpn by Molmil](/molmil-images/mine/6hpn) | Crystal structure of Borrelia spielmanii WP_012665240 (BSA64) - an orthologous protein to B. burgdorferi BBA64 | Descriptor: | Antigen, P35 | Authors: | Brangulis, K, Akopjana, I, Kazaks, A, Tars, K. | Deposit date: | 2018-09-21 | Release date: | 2019-10-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural analysis of the outer surface proteins from Borrelia burgdorferi paralogous gene family 54 that are thought to be the key players in the pathogenesis of Lyme disease. J.Struct.Biol., 210, 2020
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2WK1
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![BU of 2wk1 by Molmil](/molmil-images/mine/2wk1) | Structure of the O-methyltransferase NovP | Descriptor: | 1,2-ETHANEDIOL, NOVP, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Gomez Garcia, I, Stevenson, C.E.M, Uson, I, Freel Meyers, C.L, Walsh, C.T, Lawson, D.M. | Deposit date: | 2009-06-03 | Release date: | 2009-12-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The Crystal Structure of the Novobiocin Biosynthetic Enzyme Novp: The First Representative Structure for the Tylf O-Methyltransferase Superfamily. J.Mol.Biol., 395, 2010
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5M93
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![BU of 5m93 by Molmil](/molmil-images/mine/5m93) | |
5MU7
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![BU of 5mu7 by Molmil](/molmil-images/mine/5mu7) | Crystal Structure of the beta/delta-COPI Core Complex | Descriptor: | Coatomer subunit beta, Coatomer subunit delta-like protein | Authors: | Kopp, J, Aderhold, P, Wieland, F, Sinning, I. | Deposit date: | 2017-01-12 | Release date: | 2017-06-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | 9 angstrom structure of the COPI coat reveals that the Arf1 GTPase occupies two contrasting molecular environments. Elife, 6, 2017
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7OTE
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![BU of 7ote by Molmil](/molmil-images/mine/7ote) | Src Kinase Domain in complex with ponatinib | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, GLYCEROL, ... | Authors: | Soriano-Maldonado, P, Cuesta-Hernandez, H.N, Plaza-Menacho, I. | Deposit date: | 2021-06-10 | Release date: | 2022-06-22 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | An allosteric switch between the activation loop and a c-terminal palindromic phospho-motif controls c-Src function. Nat Commun, 14, 2023
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2XIM
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![BU of 2xim by Molmil](/molmil-images/mine/2xim) | ARGININE RESIDUES AS STABILIZING ELEMENTS IN PROTEINS | Descriptor: | D-XYLOSE ISOMERASE, MAGNESIUM ION, Xylitol | Authors: | Mrabet, N.T, Van Denbroek, A, Van Den Brande, I, Stanssens, P, Laroche, Y, Lambeir, A.-M, Matthyssens, G, Jenkins, J, Chiadmi, M, Vantilbeurgh, H, Rey, F, Janin, J, Quax, W.J, Lasters, I, Demaeyer, M, Wodak, S.J. | Deposit date: | 1991-05-29 | Release date: | 1993-04-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Arginine residues as stabilizing elements in proteins. Biochemistry, 31, 1992
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5MU6
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![BU of 5mu6 by Molmil](/molmil-images/mine/5mu6) | Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and IMP-1088 inhibitor bound | Descriptor: | 1-[5-[3,4-bis(fluoranyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methyl-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, ... | Authors: | Perez-Dorado, I, Bell, A.S, Tate, E.W. | Deposit date: | 2017-01-12 | Release date: | 2018-02-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Fragment-derived inhibitors of human N-myristoyltransferase block capsid assembly and replication of the common cold virus. Nat Chem, 10, 2018
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1N9C
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![BU of 1n9c by Molmil](/molmil-images/mine/1n9c) | |
5NDX
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![BU of 5ndx by Molmil](/molmil-images/mine/5ndx) | The bacterial orthologue of Human a-L-iduronidase does not need N-glycan post-translational modifications to be catalytically competent: Crystallography and QM/MM insights into Mucopolysaccharidosis I | Descriptor: | (2~{R},3~{S},4~{S},5~{R},6~{S})-6-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid, Glycosyl hydrolase, SULFATE ION | Authors: | Raich, L, Valero-Gonzalez, J, Castro-Lopez, J, Millan, C, Jimenez-Garcia, M.J, Nieto, P, Uson, I, Hurtado-Guerrero, R, Rovira, C. | Deposit date: | 2017-03-09 | Release date: | 2018-07-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The bacterial orthologue of Human a-L-iduronidase does not need N-glycan post-translational modifications to be catalytically competent:
Crystallography and QM/MM insights into Mucopolysaccharidosis I. To Be Published
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5NCW
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![BU of 5ncw by Molmil](/molmil-images/mine/5ncw) | Structure of the trypsin induced serpin-type proteinase inhibitor, miropin (V367K/K368A mutant). | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Goulas, T, Ksiazek, M, Garcia-Ferrer, I, Mizgalska, D, Potempa, J, Gomis-Ruth, X. | Deposit date: | 2017-03-06 | Release date: | 2017-05-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A structure-derived snap-trap mechanism of a multispecific serpin from the dysbiotic human oral microbiome. J. Biol. Chem., 292, 2017
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3Q0Y
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![BU of 3q0y by Molmil](/molmil-images/mine/3q0y) | N-terminal domain of C. reinhardtii SAS-6 homolog Bld12p | Descriptor: | Centriole protein | Authors: | Kitagawa, D, Vakonakis, I, Olieric, N, Hilbert, M, Keller, D, Olieric, V, Bortfeld, M, Erat, M.C, Flueckiger, I, Goenczy, P, Steinmetz, M.O. | Deposit date: | 2010-12-16 | Release date: | 2011-02-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of the 9-fold symmetry of centrioles. Cell(Cambridge,Mass.), 144, 2011
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3Q0X
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![BU of 3q0x by Molmil](/molmil-images/mine/3q0x) | N-terminal coiled-coil dimer domain of C. reinhardtii SAS-6 homolog Bld12p | Descriptor: | Centriole protein | Authors: | Kitagawa, D, Vakonakis, I, Olieric, N, Hilbert, M, Keller, D, Olieric, V, Bortfeld, M, Erat, M.C, Flueckiger, I, Goenczy, P, Steinmetz, M.O. | Deposit date: | 2010-12-16 | Release date: | 2011-02-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Structural basis of the 9-fold symmetry of centrioles. Cell(Cambridge,Mass.), 144, 2011
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5NCS
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![BU of 5ncs by Molmil](/molmil-images/mine/5ncs) | Structure of the native serpin-type proteinase inhibitor, miropin. | Descriptor: | Serpin | Authors: | Goulas, T, Ksiazek, M, Garcia-Ferrer, I, Mizgalska, D, Potempa, J, Gomis-Ruth, X. | Deposit date: | 2017-03-06 | Release date: | 2017-05-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A structure-derived snap-trap mechanism of a multispecific serpin from the dysbiotic human oral microbiome. J. Biol. Chem., 292, 2017
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5NCU
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![BU of 5ncu by Molmil](/molmil-images/mine/5ncu) | Structure of the subtilisin induced serpin-type proteinase inhibitor, miropin. | Descriptor: | CHLORIDE ION, GLYCEROL, IODIDE ION, ... | Authors: | Goulas, T, Ksiazek, M, Garcia-Ferrer, I, Mizgalska, D, Potempa, J, Gomis-Ruth, X. | Deposit date: | 2017-03-06 | Release date: | 2017-05-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A structure-derived snap-trap mechanism of a multispecific serpin from the dysbiotic human oral microbiome. J. Biol. Chem., 292, 2017
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5NCT
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![BU of 5nct by Molmil](/molmil-images/mine/5nct) | Structure of the trypsin induced serpin-type proteinase inhibitor, miropin. | Descriptor: | ASPARTIC ACID, GLYCEROL, SERINE, ... | Authors: | Goulas, T, Ksiazek, M, Garcia-Ferrer, I, Mizgalska, D, Potempa, J, Gomis-Ruth, X. | Deposit date: | 2017-03-06 | Release date: | 2017-05-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A structure-derived snap-trap mechanism of a multispecific serpin from the dysbiotic human oral microbiome. J. Biol. Chem., 292, 2017
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6J82
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![BU of 6j82 by Molmil](/molmil-images/mine/6j82) | Crystal structure of TleB apo | Descriptor: | Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Alblova, M, Nakamura, H, Mori, T, Abe, I. | Deposit date: | 2019-01-18 | Release date: | 2019-08-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.202 Å) | Cite: | Molecular basis for the P450-catalyzed C-N bond formation in indolactam biosynthesis. Nat.Chem.Biol., 15, 2019
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6J88
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![BU of 6j88 by Molmil](/molmil-images/mine/6j88) | Crystal structure of HinD with benzo[b]thiophen analog | Descriptor: | N-[(2S)-1-(1-benzothiophen-3-yl)-3-hydroxypropan-2-yl]-N~2~-methyl-L-valinamide, Nocardicin N-oxygenase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Fei, H, Mori, T, Abe, I. | Deposit date: | 2019-01-18 | Release date: | 2019-08-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Molecular basis for the P450-catalyzed C-N bond formation in indolactam biosynthesis. Nat.Chem.Biol., 15, 2019
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7NNP
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![BU of 7nnp by Molmil](/molmil-images/mine/7nnp) | Rb-loaded cryo-EM structure of the E1-ATP KdpFABC complex. | Descriptor: | CARDIOLIPIN, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Potassium-transporting ATPase ATP-binding subunit, ... | Authors: | Silberberg, J.M, Corey, R.A, Hielkema, L, Stock, C, Stansfeld, P.J, Paulino, C, Haenelt, I. | Deposit date: | 2021-02-25 | Release date: | 2021-07-28 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Deciphering ion transport and ATPase coupling in the intersubunit tunnel of KdpFABC. Nat Commun, 12, 2021
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