3BRA
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![BU of 3bra by Molmil](/molmil-images/mine/3bra) | BACE-1 complexed with compound 1 | Descriptor: | 4-(2-aminoethyl)phenol, Beta-secretase 1 | Authors: | Kuglstatter, A, Hennig, M. | Deposit date: | 2007-12-21 | Release date: | 2008-03-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Tyramine fragment binding to BACE-1 Bioorg.Med.Chem.Lett., 18, 2008
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3BUF
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![BU of 3buf by Molmil](/molmil-images/mine/3buf) | BACE-1 complexed with compound 2 | Descriptor: | 4-[(2R)-2-aminopropyl]phenol, Beta-secretase 1 | Authors: | Kuglstatter, A, Hennig, M. | Deposit date: | 2008-01-02 | Release date: | 2008-03-11 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Tyramine fragment binding to BACE-1 Bioorg.Med.Chem.Lett., 18, 2008
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2P7O
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![BU of 2p7o by Molmil](/molmil-images/mine/2p7o) | Crystal structure of genomically encoded fosfomycin resistance protein, FosX, from Listeria monocytogenes (tetragonal form) | Descriptor: | Glyoxalase family protein, MANGANESE (II) ION | Authors: | Fillgrove, K.L, Pakhomova, S, Schaab, M, Newcomer, M.E, Armstrong, R.N. | Deposit date: | 2007-03-20 | Release date: | 2007-07-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Structure and Mechanism of the Genomically Encoded Fosfomycin Resistance Protein, FosX, from Listeria monocytogenes. Biochemistry, 46, 2007
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7SEA
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![BU of 7sea by Molmil](/molmil-images/mine/7sea) | Crystal structure of human Fibrillarin in complex with compound 2 from cocktail soak | Descriptor: | 6-(trifluoromethyl)pyrimidin-4-amine, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | Deposit date: | 2021-09-30 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin. Pharmaceuticals, 15, 2021
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6XZS
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![BU of 6xzs by Molmil](/molmil-images/mine/6xzs) | Crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((4-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide | Descriptor: | 1-[2-[(4-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION | Authors: | Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, F, Supuran, C.T. | Deposit date: | 2020-02-05 | Release date: | 2020-09-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases. Int J Mol Sci, 21, 2020
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7SE7
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![BU of 7se7 by Molmil](/molmil-images/mine/7se7) | Crystal structure of human Fibrillarin in complex with S-adenosyl-L-methionine | Descriptor: | S-ADENOSYLMETHIONINE, rRNA 2'-O-methyltransferase fibrillarin | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | Deposit date: | 2021-09-30 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin. Pharmaceuticals, 15, 2021
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6XZY
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![BU of 6xzy by Molmil](/molmil-images/mine/6xzy) | crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((2-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide | Descriptor: | 1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(3-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION | Authors: | Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C. | Deposit date: | 2020-02-05 | Release date: | 2020-09-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases. Int J Mol Sci, 21, 2020
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7SED
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![BU of 7sed by Molmil](/molmil-images/mine/7sed) | Crystal structure of human Fibrillarin in complex with compound 2a | Descriptor: | FORMIC ACID, N-(piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine, rRNA 2'-O-methyltransferase fibrillarin | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | Deposit date: | 2021-09-30 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin. Pharmaceuticals, 15, 2021
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7SEC
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![BU of 7sec by Molmil](/molmil-images/mine/7sec) | Crystal structure of human Fibrillarin in complex with compound 1a | Descriptor: | 2-[(8S)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | Deposit date: | 2021-09-30 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin. Pharmaceuticals, 15, 2021
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7SE6
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![BU of 7se6 by Molmil](/molmil-images/mine/7se6) | Crystal structure of human Fibrillarin in ligand-free state | Descriptor: | FORMIC ACID, rRNA 2'-O-methyltransferase fibrillarin | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | Deposit date: | 2021-09-30 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin. Pharmaceuticals, 15, 2021
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7SEB
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![BU of 7seb by Molmil](/molmil-images/mine/7seb) | Crystal structure of human Fibrillarin in complex with compound 2 from single soak | Descriptor: | 6-(trifluoromethyl)pyrimidin-4-amine, FORMIC ACID, rRNA 2'-O-methyltransferase fibrillarin | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | Deposit date: | 2021-09-30 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin. Pharmaceuticals, 15, 2021
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7SE8
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![BU of 7se8 by Molmil](/molmil-images/mine/7se8) | Crystal structure of human Fibrillarin in complex with fragment 1 from cocktail soak | Descriptor: | (5S)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | Deposit date: | 2021-09-30 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin. Pharmaceuticals, 15, 2021
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6Y36
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![BU of 6y36 by Molmil](/molmil-images/mine/6y36) | CCAAT-binding complex from Aspergillus fumigatus with cccA DNA | Descriptor: | CCAAT-binding factor complex subunit HapC, CCAAT-binding factor complex subunit HapE, CCAAT-binding transcription factor subunit HAPB, ... | Authors: | Groll, M, Huber, E.M. | Deposit date: | 2020-02-17 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis of HapE P88L -linked antifungal triazole resistance in Aspergillus fumigatus . Life Sci Alliance, 3, 2020
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3CKS
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![BU of 3cks by Molmil](/molmil-images/mine/3cks) | Urate oxidase complexed with 8-azaxanthine under 4.0 MPa oxygen pressure | Descriptor: | 8-AZAXANTHINE, OXYGEN MOLECULE, SODIUM ION, ... | Authors: | Colloc'h, N, Gabison, L, Chiadmi, M, Abraini, J.H, Prange, T. | Deposit date: | 2008-03-17 | Release date: | 2008-10-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Oxygen pressurized X-ray crystallography: probing the dioxygen binding site in cofactorless urate oxidase and implications for its catalytic mechanism. Biophys.J., 95, 2008
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7SE9
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![BU of 7se9 by Molmil](/molmil-images/mine/7se9) | Crystal structure of human Fibrillarin in complex with compound 1 from single soak | Descriptor: | (5S)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | Deposit date: | 2021-09-30 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin. Pharmaceuticals, 15, 2021
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6Y8X
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![BU of 6y8x by Molmil](/molmil-images/mine/6y8x) | |
6F5S
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![BU of 6f5s by Molmil](/molmil-images/mine/6f5s) | Crystal Structure of KDM4D with tetrazole ligand GF049 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... | Authors: | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | Deposit date: | 2017-12-02 | Release date: | 2018-12-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Crystal Structure of KDM4D with tetrazole ligand GF049 To be published
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6Y37
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![BU of 6y37 by Molmil](/molmil-images/mine/6y37) | |
6ETT
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![BU of 6ett by Molmil](/molmil-images/mine/6ett) | Crystal structure of KDM4D with tetrazole compound 4 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... | Authors: | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | Deposit date: | 2017-10-27 | Release date: | 2019-02-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.257 Å) | Cite: | Structure-Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases. Chemmedchem, 14, 2019
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4RHP
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![BU of 4rhp by Molmil](/molmil-images/mine/4rhp) | Crystal structure of human COQ9 in complex with a phospholipid, Northeast Structural Genomics Consortium Target HR5043 | Descriptor: | DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Ubiquinone biosynthesis protein COQ9, mitochondrial | Authors: | Forouhar, F, Lew, S, Seetharaman, J, Wang, H, Lee, D, Kogan, S, Maglaqui, M, Xiao, R, Everett, J.K, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG), Mitochondrial Protein Partnership (MPP) | Deposit date: | 2014-10-02 | Release date: | 2014-10-22 | Last modified: | 2019-08-14 | Method: | X-RAY DIFFRACTION (2.393 Å) | Cite: | Mitochondrial COQ9 is a lipid-binding protein that associates with COQ7 to enable coenzyme Q biosynthesis. Proc.Natl.Acad.Sci.USA, 111, 2014
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4OPE
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![BU of 4ope by Molmil](/molmil-images/mine/4ope) | Streptomcyes albus JA3453 oxazolomycin ketosynthase domain OzmH KS7 | Descriptor: | NITRATE ION, NRPS/PKS | Authors: | Osipiuk, J, Mack, J, Endres, M, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2014-02-05 | Release date: | 2014-02-19 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Structural and evolutionary relationships of "AT-less" type I polyketide synthase ketosynthases. Proc.Natl.Acad.Sci.USA, 112, 2015
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6FAO
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![BU of 6fao by Molmil](/molmil-images/mine/6fao) | Discovery and characterization of a thermostable GH6 endoglucanase from a compost metagenome | Descriptor: | 1,2-ETHANEDIOL, Glycoside hydrolase family 6, SULFATE ION | Authors: | Jensen, M.S, Fredriksen, L, MacKenzie, A.K, Pope, P.B, Chylenski, P, Leiros, I, Williamson, A.K, Christopeit, T, Ostby, H, Vaaje-Kolstad, G, Eijsink, V.G.H. | Deposit date: | 2017-12-15 | Release date: | 2018-06-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Discovery and characterization of a thermostable two-domain GH6 endoglucanase from a compost metagenome. PLoS ONE, 13, 2018
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6ETV
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![BU of 6etv by Molmil](/molmil-images/mine/6etv) | Crystal structure of KDM4D with tetrazolhydrazide compound 2 | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | Deposit date: | 2017-10-27 | Release date: | 2019-02-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Structure-Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases. Chemmedchem, 14, 2019
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6Y8Z
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![BU of 6y8z by Molmil](/molmil-images/mine/6y8z) | Structure of Baltic Herring (Clupea Harengus) Phosphoglucomutase 5 (PGM5) | Descriptor: | ACETATE ION, CALCIUM ION, GLYCEROL, ... | Authors: | Gustafsson, R, Eckhard, U, Selmer, M. | Deposit date: | 2020-03-06 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure and Characterization of Phosphoglucomutase 5 from Atlantic and Baltic Herring-An Inactive Enzyme with Intact Substrate Binding. Biomolecules, 10, 2020
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4OW5
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![BU of 4ow5 by Molmil](/molmil-images/mine/4ow5) | Structural basis for the enhancement of virulence by entomopoxvirus fusolin and its in vivo crystallization into viral spindles | Descriptor: | 1,2-ETHANEDIOL, Fusolin | Authors: | Hijnen, M, Boudes, M, Aizel, K, Coulibaly, F. | Deposit date: | 2014-01-31 | Release date: | 2015-03-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for the enhancement of virulence by viral spindles and their in vivo crystallization. Proc.Natl.Acad.Sci.USA, 112, 2015
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