6D43
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6QF3
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![BU of 6qf3 by Molmil](/molmil-images/mine/6qf3) | X-Ray structure of Thermolysin soaked with sodium aspartate on a silicon chip | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ASPARTIC ACID, ... | Authors: | Lieske, J, Cerv, M, Kreida, S, Barthelmess, M, Fischer, P, Pakendorf, T, Yefanov, O, Mariani, V, Seine, T, Ross, B.H, Crosas, E, Lorbeer, O, Burkhardt, A, Lane, T.J, Guenther, S, Bergtholdt, J, Schoen, S, Tornroth-Horsefield, S, Chapman, H.N, Meents, A. | Deposit date: | 2019-01-09 | Release date: | 2019-07-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.521 Å) | Cite: | On-chip crystallization for serial crystallography experiments and on-chip ligand-binding studies. Iucrj, 6, 2019
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2FSK
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![BU of 2fsk by Molmil](/molmil-images/mine/2fsk) | Crystal structure of Ta0583, an archaeal actin homolog, SeMet data | Descriptor: | hypothetical protein Ta0583 | Authors: | Roeben, A, Kofler, C, Nagy, I, Nickell, S, Ulrich Hartl, F, Bracher, A. | Deposit date: | 2006-01-23 | Release date: | 2006-04-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of an archaeal actin homolog J.Mol.Biol., 358, 2006
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6D5Q
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6QFV
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![BU of 6qfv by Molmil](/molmil-images/mine/6qfv) | Human carbonic anhydrase II with bound IrCp* complex (cofactor 8) to generate an artificial transfer hydrogenase (ATHase) | Descriptor: | 4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1(6),2,4-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, SULFATE ION, ... | Authors: | Rebelein, J.G. | Deposit date: | 2019-01-10 | Release date: | 2019-04-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Chemical Optimization of Whole-Cell Transfer Hydrogenation Using Carbonic Anhydrase as Host Protein. Acs Catalysis, 9, 2019
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1MGX
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![BU of 1mgx by Molmil](/molmil-images/mine/1mgx) | COAGULATION FACTOR, MG(II), NMR, 7 STRUCTURES (BACKBONE ATOMS ONLY) | Descriptor: | COAGULATION FACTOR IX | Authors: | Freedman, S.J, Furie, B.C, Furie, B, Baleja, J.D. | Deposit date: | 1995-06-21 | Release date: | 1996-11-08 | Last modified: | 2017-11-29 | Method: | SOLUTION NMR | Cite: | Identification of the phospholipid binding site in the vitamin K-dependent blood coagulation protein factor IX. J.Biol.Chem., 271, 1996
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2GA4
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![BU of 2ga4 by Molmil](/molmil-images/mine/2ga4) | Stx2 with adenine | Descriptor: | 1,2-ETHANEDIOL, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ADENINE, ... | Authors: | Fraser, M.E. | Deposit date: | 2006-03-07 | Release date: | 2006-07-11 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Binding of adenine to Stx2, the protein toxin from Escherichia coli O157:H7. Acta Crystallogr.,Sect.F, 62, 2006
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6QH4
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![BU of 6qh4 by Molmil](/molmil-images/mine/6qh4) | Crystal structure of human Methylmalonyl-CoA epimerase (MCEE) p.Arg143Cys variant | Descriptor: | COBALT (II) ION, Methylmalonyl-CoA epimerase, mitochondrial | Authors: | Bailey, H.J, Chaikuid, A, Krysztofinska, E, Froese, D.S, Sorrell, F.J, Diaz-Saez, L, Kennedy, E, Edwards, A.M, Bountra, C, Yue, W.W. | Deposit date: | 2019-01-15 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.922 Å) | Cite: | Crystal structure of human Methylmalonyl-CoA epimerase (MCEE) p.Arg143Cys variant To Be Published
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6D5R
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6D62
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![BU of 6d62 by Molmil](/molmil-images/mine/6d62) | Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase I142P from Cupriavidus metallidurans in complex with 3-HAA | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-HYDROXYANTHRANILIC ACID, 3-hydroxyanthranilate 3,4-dioxygenase, ... | Authors: | Yang, Y, Liu, F, Liu, A. | Deposit date: | 2018-04-19 | Release date: | 2018-06-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Adapting to oxygen: 3-Hydroxyanthrinilate 3,4-dioxygenase employs loop dynamics to accommodate two substrates with disparate polarities. J. Biol. Chem., 293, 2018
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4NW7
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![BU of 4nw7 by Molmil](/molmil-images/mine/4nw7) | PDE4 catalytic domain | Descriptor: | (4-{[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino}phenyl)acetic acid, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | Authors: | Fox III, D, Edwards, T.E. | Deposit date: | 2013-12-05 | Release date: | 2014-10-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of triazines as selective PDE4B versus PDE4D inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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3HC9
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![BU of 3hc9 by Molmil](/molmil-images/mine/3hc9) | Ferric Horse Heart Myoglobin; H64V mutant | Descriptor: | Myoglobin, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Yi, J, Thomas, L.M, Richter-Addo, G.B. | Deposit date: | 2009-05-05 | Release date: | 2009-12-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The distal pocket histidine residue in horse heart myoglobin directs the o-binding mode of nitrite to the heme iron. J.Am.Chem.Soc., 131, 2009
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6D5N
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![BU of 6d5n by Molmil](/molmil-images/mine/6d5n) | Hexagonal thermolysin (295) in the presence of 50% xylose | Descriptor: | CALCIUM ION, LYSINE, Thermolysin, ... | Authors: | Juers, D.H. | Deposit date: | 2018-04-19 | Release date: | 2018-10-31 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.00003672 Å) | Cite: | The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order. Acta Crystallogr D Struct Biol, 74, 2018
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6QFW
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![BU of 6qfw by Molmil](/molmil-images/mine/6qfw) | Human carbonic anhydrase II with bound IrCp* complex (cofactor 9) to generate an artificial transfer hydrogenase (ATHase) | Descriptor: | 4-[3-(8-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8$l^{4}-diaza-9$l^{7}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)propyl]benzenesulfonamide, Carbonic anhydrase 2, IRIDIUM ION, ... | Authors: | Rebelein, J.G. | Deposit date: | 2019-01-10 | Release date: | 2019-04-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Chemical Optimization of Whole-Cell Transfer Hydrogenation Using Carbonic Anhydrase as Host Protein. Acs Catalysis, 9, 2019
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6D68
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![BU of 6d68 by Molmil](/molmil-images/mine/6d68) | Ube2G1 in complex with ubiquitin variant Ubv.G1.1 | Descriptor: | Ubiquitin-conjugating enzyme E2 G1, Ubv.G1.1 | Authors: | Ceccarelli, D.F, Garg, P, Sidhu, S, Sicheri, F. | Deposit date: | 2018-04-20 | Release date: | 2019-07-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Structural and Functional Analysis of Ubiquitin-based Inhibitors That Target the Backsides of E2 Enzymes. J.Mol.Biol., 432, 2020
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6DAY
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![BU of 6day by Molmil](/molmil-images/mine/6day) | Xanthomonas albilineans Dihydropteroate synthase with 4-aminobenzoic acid at 1.65 A | Descriptor: | 4-AMINOBENZOIC ACID, Dihydropteroate synthase, GLYCEROL, ... | Authors: | Oliveira, A.A, Guido, R.V.C, Lima, G.M.A, Bueno, R.V, Maluf, F.V. | Deposit date: | 2018-05-02 | Release date: | 2018-06-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Xanthomonas albilineans Dihydropteroate synthase with 4-aminobenzoic acid To Be Published
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6QJ0
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5CVS
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![BU of 5cvs by Molmil](/molmil-images/mine/5cvs) | GlgE isoform 1 from Streptomyces coelicolor E423A mutant soaked in maltoheptaose | Descriptor: | Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Rashid, A.M, Syson, K, Koliwer-Brandl, H, van de Weerd, R, Stevenson, C.E.M, Batey, S.F.D, Miah, F, Alber, M, Ioerger, T.R, Chandra, G, Appelmelk, B.J, Nartowski, K.P, Khimyak, Y.Z, Lawson, D.M, Jacobs, W.R, Geurtsen, J, Kalscheuer, R, Bornemann, S. | Deposit date: | 2015-07-27 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Ligand-bound structures and site-directed mutagenesis identify the acceptor and secondary binding sites of Streptomyces coelicolor maltosyltransferase GlgE. J.Biol.Chem., 291, 2016
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2FSN
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![BU of 2fsn by Molmil](/molmil-images/mine/2fsn) | Crystal structure of Ta0583, an archaeal actin homolog, complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, hypothetical protein Ta0583 | Authors: | Roeben, A, Kofler, C, Nagy, I, Nickell, S, Ulrich Hartl, F, Bracher, A. | Deposit date: | 2006-01-23 | Release date: | 2006-04-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of an archaeal actin homolog J.Mol.Biol., 358, 2006
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3H9N
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![BU of 3h9n by Molmil](/molmil-images/mine/3h9n) | Crystal structure of the ribosome maturation factor rimm (hi0203) from h.influenzae. northeast structural genomics consortium target IR66. | Descriptor: | Ribosome maturation factor rimM, SULFATE ION | Authors: | Kuzin, A, Su, M, Seetharaman, J, Mao, M, Xiao, R, Maglaqui, M, Zhao, L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-04-30 | Release date: | 2009-05-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Northeast Structural Genomics Consortium Target IR66 To be Published
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6Q8B
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![BU of 6q8b by Molmil](/molmil-images/mine/6q8b) | Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with 5'-O-(N-(L-Leucyl)-Sulfamoyl)N3-methyluridine | Descriptor: | 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ... | Authors: | Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D. | Deposit date: | 2018-12-14 | Release date: | 2019-04-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Comparative analysis of pyrimidine substituted aminoacyl-sulfamoyl nucleosides as potential inhibitors targeting class I aminoacyl-tRNA synthetases. Eur.J.Med.Chem., 173, 2019
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7QC5
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![BU of 7qc5 by Molmil](/molmil-images/mine/7qc5) | Crystal structure of human wild type transthyretin in complex with (3,4-dihydroxy-5-nitrophenyl)-(3-fluoro-5-hydroxyphenyl)methanone compound | Descriptor: | (3-fluoranyl-5-oxidanyl-phenyl)-[3-nitro-4,5-bis(oxidanyl)phenyl]methanone, Transthyretin | Authors: | Varejao, N, Pinheiro, F, Pallares, I, Ventura, S, Reverter, D. | Deposit date: | 2021-11-22 | Release date: | 2022-11-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Development of a Highly Potent Transthyretin Amyloidogenesis Inhibitor: Design, Synthesis, and Evaluation. J.Med.Chem., 65, 2022
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2FT2
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![BU of 2ft2 by Molmil](/molmil-images/mine/2ft2) | Human Cathepsin S with Inhibitor CRA-29728 | Descriptor: | N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(MORPHOLIN-4-YLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETHYL]-L-ALANINAMIDE, cathepsin S | Authors: | Somoza, J.R. | Deposit date: | 2006-01-23 | Release date: | 2006-07-25 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Human Cathepsin S with Inhibitor CRA-29728 To be Published
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6Q8N
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![BU of 6q8n by Molmil](/molmil-images/mine/6q8n) | GH10 endo-xylanase in complex with xylobiose epoxide inhibitor | Descriptor: | (1~{R},2~{S},4~{S},5~{R})-cyclohexane-1,2,3,4,5-pentol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Davies, G.J, Rowland, R.J, Wu, L, Moroz, O, Blagova, E. | Deposit date: | 2018-12-15 | Release date: | 2019-06-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Dynamic and Functional Profiling of Xylan-Degrading Enzymes inAspergillusSecretomes Using Activity-Based Probes. Acs Cent.Sci., 5, 2019
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6Q2U
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![BU of 6q2u by Molmil](/molmil-images/mine/6q2u) | Structure of Cytochrome C4 from Pseudomonas aeruginosa | Descriptor: | Cytochrome c4, HEME C | Authors: | Carpenter, J.M, Zhong, F, Pletneva, E.V, Ragusa, M.J. | Deposit date: | 2019-08-08 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure and redox properties of the diheme electron carrier cytochrome c4from Pseudomonas aeruginosa. J.Inorg.Biochem., 203, 2019
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