8UJF
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![BU of 8ujf by Molmil](/molmil-images/mine/8ujf) | X-ray crystal structure of Toxoplasma gondii GalNAc-T3 in complex with UDP-GalNAc, Mn2+, and Muc5AC-3,13 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycosyl transferase, MANGANESE (II) ION, ... | Authors: | Kumar, P, Samara, N.L. | Deposit date: | 2023-10-11 | Release date: | 2024-05-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | A Toxoplasma gondii O-glycosyltransferase that modulates bradyzoite cyst wall rigidity is distinct from host homologues. Nat Commun, 15, 2024
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3DQB
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![BU of 3dqb by Molmil](/molmil-images/mine/3dqb) | Crystal structure of the active G-protein-coupled receptor opsin in complex with a C-terminal peptide derived from the Galpha subunit of transducin | Descriptor: | 11meric peptide form Guanine nucleotide-binding protein G(t) subunit alpha-1, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PALMITIC ACID, ... | Authors: | Scheerer, P, Park, J.H, Hildebrand, P.W, Kim, Y.J, Krauss, N, Choe, H.-W, Hofmann, K.P, Ernst, O.P. | Deposit date: | 2008-07-09 | Release date: | 2008-09-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structure of opsin in its G-protein-interacting conformation Nature, 455, 2008
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1O1B
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![BU of 1o1b by Molmil](/molmil-images/mine/1o1b) | MOLECULAR MODELS OF AVERAGED RIGOR CROSSBRIDGES FROM TOMOGRAMS OF INSECT FLIGHT MUSCLE | Descriptor: | SKELETAL MUSCLE ACTIN, SKELETAL MUSCLE MYOSIN II, SKELETAL MUSCLE MYOSIN II ESSENTIAL LIGHT CHAIN, ... | Authors: | Chen, L.F, Winkler, H, Reedy, M.K, Reedy, M.C, Taylor, K.A. | Deposit date: | 2002-11-15 | Release date: | 2002-12-04 | Last modified: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (70 Å) | Cite: | Molecular Modeling of Averaged Rigor Crossbridges from Tomograms of Insect Flight Muscle J.Struct.Biol., 138, 2002
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3B3N
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![BU of 3b3n by Molmil](/molmil-images/mine/3b3n) | Structure of neuronal NOS heme domain in complex with a inhibitor (+-)-N1-{cis-4'-[(6"-aminopyridin-2"-yl)methyl]pyrrolidin-3'-yl}ethane-1,2-diamine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine, ... | Authors: | Igarashi, J, Li, H, Poulos, T.L. | Deposit date: | 2007-10-22 | Release date: | 2008-07-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Minimal pharmacophoric elements and fragment hopping, an approach directed at molecular diversity and isozyme selectivity. Design of selective neuronal nitric oxide synthase inhibitors. J.Am.Chem.Soc., 130, 2008
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2C0O
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![BU of 2c0o by Molmil](/molmil-images/mine/2c0o) | Src family kinase Hck with bound inhibitor A-770041 | Descriptor: | CALCIUM ION, N-(4-{1-[4-(4-ACETYLPIPERAZIN-1-YL)-TRANS-CYCLOHEXYL]-4-AMINO-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-2-CARBOXAMIDE, TYROSINE-PROTEIN KINASE HCK | Authors: | Borhani, D.W, Burchat, A, Calderwood, D.J, Hirst, G.C, Li, B, Loew, A. | Deposit date: | 2005-09-06 | Release date: | 2006-09-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Discovery of A-770041, a Src-Family Selective Orally Active Lck Inhibitor that Prevents Organ Allograft Rejection. Bioorg.Med.Chem.Lett., 16, 2006
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5D3Z
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![BU of 5d3z by Molmil](/molmil-images/mine/5d3z) | Crystal structure of the thioesterase domain of deoxyerythronolide B synthase in complex with a small phosphonate inhibitor | Descriptor: | CALCIUM ION, Erythronolide synthase, modules 5 and 6, ... | Authors: | Bergeret, F, Argyropoulos, P, Boddy, C.N, Schmeing, T.M. | Deposit date: | 2015-08-06 | Release date: | 2015-12-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Towards a characterization of the structural determinants of specificity in the macrocyclizing thioesterase for deoxyerythronolide B biosynthesis. Biochim.Biophys.Acta, 1860, 2015
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2BRT
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![BU of 2brt by Molmil](/molmil-images/mine/2brt) | ANTHOCYANIDIN SYNTHASE FROM ARABIDOPSIS THALIANA COMPLEXED with naringenin | Descriptor: | 2-OXOGLUTARIC ACID, FE (II) ION, LEUCOANTHOCYANIDIN DIOXYGENASE, ... | Authors: | Turnbull, J.J, Clifton, I.J, Welford, R.W.D, Schofield, C.J. | Deposit date: | 2005-05-11 | Release date: | 2006-08-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and Mechanistic Studies on Anthocyanidin Synthase Catalysed Oxidation of Flavanone Substrates: The Effect of C-2 Stereochemistry on Product Selectivity and Mechanism Org.Biomol.Chem., 3, 2005
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3BFJ
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![BU of 3bfj by Molmil](/molmil-images/mine/3bfj) | Crystal structure analysis of 1,3-propanediol oxidoreductase | Descriptor: | 1,3-propanediol oxidoreductase, FE (II) ION | Authors: | Marcal, D, Enguita, F.J, Carrondo, M.A, Structural Proteomics in Europe (SPINE) | Deposit date: | 2007-11-21 | Release date: | 2008-11-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | 1,3-propanediol dehydrogenase from Klebsiella pneumoniae: decameric quaternary structure and possible subunit cooperativity J.Bacteriol., 191, 2009
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8UIN
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![BU of 8uin by Molmil](/molmil-images/mine/8uin) | Structure of the C3bBb-albicin complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Albicin, ... | Authors: | Andersen, J.F, Lei, H. | Deposit date: | 2023-10-10 | Release date: | 2024-05-08 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.86 Å) | Cite: | Mechanism of complement inhibition by a mosquito protein revealed through cryo-EM. Commun Biol, 7, 2024
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5CYJ
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![BU of 5cyj by Molmil](/molmil-images/mine/5cyj) | X-ray structure of human RBPMS | Descriptor: | RNA-binding protein with multiple splicing | Authors: | Teplova, M, Farazi, T.A, Patel, D.J. | Deposit date: | 2015-07-30 | Release date: | 2015-09-30 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structural basis underlying CAC RNA recognition by the RRM domain of dimeric RNA-binding protein RBPMS. Q. Rev. Biophys., 49, 2016
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2WGS
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![BU of 2wgs by Molmil](/molmil-images/mine/2wgs) | Crystal structure of Mycobacterium Tuberculosis Glutamine Synthetase in complex with a purine analogue inhibitor. | Descriptor: | 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-morpholin-4-yl-3,7-dihydro-1H-purine-2,6-dione, CHLORIDE ION, GLUTAMINE SYNTHETASE 1 | Authors: | Nilsson, M.T, Krajewski, W.W, Jones, T.A, Mowbray, S.L. | Deposit date: | 2009-04-27 | Release date: | 2009-09-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural Basis for the Inhibition of Mycobacterium Tuberculosis Glutamine Synthetase by Novel ATP-Competitive Inhibitors. J.Mol.Biol., 393, 2009
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4IFH
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![BU of 4ifh by Molmil](/molmil-images/mine/4ifh) | Crystal structure of human insulin degrading enzyme (IDE) in complex with compound BDM44619 | Descriptor: | Insulin-degrading enzyme, N-({1-[(2R)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1H-1,2,3-triazol-4-yl}methyl)-4-methylbenzamide, ZINC ION | Authors: | Liang, W.G, Guo, Q, Deprez, R, Deprez, B, Tang, W. | Deposit date: | 2012-12-14 | Release date: | 2013-12-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.286 Å) | Cite: | Catalytic site inhibition of insulin-degrading enzyme by a small molecule induces glucose intolerance in mice. Nat Commun, 6, 2015
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2C18
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![BU of 2c18 by Molmil](/molmil-images/mine/2c18) | 5-(4-Carboxy-2-oxo-butane-1-sulfonyl)-4-oxo-pentanoic acid bound to Porphobilinogen synthase from Pseudomonas aeruginosa | Descriptor: | CHLORIDE ION, DELTA-AMINOLEVULINIC ACID DEHYDRATASE, MAGNESIUM ION, ... | Authors: | Frere, F, Nentwich, M, Gacond, S, Heinz, D.W, Neier, R, Frankenberg-Dinkel, N. | Deposit date: | 2005-09-11 | Release date: | 2006-06-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Probing the Active Site of Pseudomonas Aeruginosa Porphobilinogen Synthase Using Newly Developed Inhibitors. Biochemistry, 45, 2006
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8VFD
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![BU of 8vfd by Molmil](/molmil-images/mine/8vfd) | Ternary DNA Polymerase Beta bound to DNA containing template FapydG incoming TTP analog | Descriptor: | 1-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]-beta-D-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione, DNA (5'-D(*CP*CP*GP*AP*CP*(FAP)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), ... | Authors: | Oden, P.N, Ryan, B.J, Freudenthal, B.D. | Deposit date: | 2023-12-21 | Release date: | 2024-05-08 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta. Nucleic Acids Res., 52, 2024
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3DUX
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![BU of 3dux by Molmil](/molmil-images/mine/3dux) | Understanding Thrombin Inhibition | Descriptor: | 3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide, Hirudin variant-1, SODIUM ION, ... | Authors: | Baum, B, Heine, A, Klebe, G. | Deposit date: | 2008-07-18 | Release date: | 2009-06-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin J.Mol.Biol., 391, 2009
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4IJ4
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![BU of 4ij4 by Molmil](/molmil-images/mine/4ij4) | Crystal Structure of a Family GH19 chitinase from Bryum coronatum in complex with (GlcNAc)4 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase A | Authors: | Numata, T, Umemoto, N, Ohnuma, T, Fukamizo, T. | Deposit date: | 2012-12-21 | Release date: | 2014-03-26 | Last modified: | 2022-08-24 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Crystal structure of a "loopless" GH19 chitinase in complex with chitin tetrasaccharide spanning the catalytic center. Biochim.Biophys.Acta, 1844, 2014
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7R25
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![BU of 7r25 by Molmil](/molmil-images/mine/7r25) | Bacillus pumilus Lipase A | Descriptor: | CITRIC ACID, Lipase, PHOSPHATE ION, ... | Authors: | Lund, B.A. | Deposit date: | 2022-02-04 | Release date: | 2022-05-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (0.87 Å) | Cite: | Structure and Mechanism of a Cold-Adapted Bacterial Lipase Biochemistry, 61, 2022
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2VXS
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![BU of 2vxs by Molmil](/molmil-images/mine/2vxs) | Structure of IL-17A in complex with a potent, fully human neutralising antibody | Descriptor: | FAB FRAGMENT, INTERLEUKIN-17A, SULFATE ION | Authors: | Gerhardt, S, Hargreaves, D, Pauptit, R.A, Davies, R.A, Russell, C, Welsh, F, Tuske, S.J, Coales, S.J, Hamuro, Y, Needham, M.R.C, Langham, C, Barker, W, Bell, P, Aziz, A, Smith, M.J, Dawson, S, Abbott, W.M. | Deposit date: | 2008-07-09 | Release date: | 2009-07-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Structure of Il-17A in Complex with a Potent, Fully Human Neutralising Antibody. J.Mol.Biol., 394, 2009
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7L8F
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![BU of 7l8f by Molmil](/molmil-images/mine/7l8f) | BG505 SOSIP.v5.2(7S) in complex with the polyclonal Fab pAbC-2 from animal Rh.33172 (Wk38 time point) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ... | Authors: | Antanasijevic, A, Sewall, L.M, Ward, A.B. | Deposit date: | 2020-12-31 | Release date: | 2021-08-04 | Last modified: | 2021-09-08 | Method: | ELECTRON MICROSCOPY (3.66 Å) | Cite: | Polyclonal antibody responses to HIV Env immunogens resolved using cryoEM. Nat Commun, 12, 2021
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3DYM
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![BU of 3dym by Molmil](/molmil-images/mine/3dym) | E. coli (lacZ) beta-galactosidase (H418E) | Descriptor: | Beta-galactosidase, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | Authors: | Juers, D.H, Huber, R.E, Matthews, B.W. | Deposit date: | 2008-07-28 | Release date: | 2008-10-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Direct and indirect roles of His-418 in metal binding and in the activity of beta-galactosidase (E. coli). Protein Sci., 18, 2009
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8UH2
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![BU of 8uh2 by Molmil](/molmil-images/mine/8uh2) | Complex of C3b with the inhibitor albicin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Albicin, Complement C3 beta chain, ... | Authors: | Andersen, J.F, Lei, H, Strayer, E, Ribeiro, J.M. | Deposit date: | 2023-10-06 | Release date: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.59 Å) | Cite: | The mechanism of a mosquito salivary inhibitor of the alternative C3 convertase is elucidated through structural analysis of its complex with C3bBb To Be Published
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2VV4
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![BU of 2vv4 by Molmil](/molmil-images/mine/2vv4) | hPPARgamma Ligand binding domain in complex with 6-oxoOTE | Descriptor: | (8E,10S,12Z)-10-hydroxy-6-oxooctadeca-8,12-dienoic acid, (8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-9,12-dienoic acid, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA | Authors: | Itoh, T, Fairall, L, Schwabe, J.W.R. | Deposit date: | 2008-06-02 | Release date: | 2008-08-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural Basis for the Activation of Pparg by Oxidised Fatty Acids Nat.Struct.Mol.Biol., 15, 2008
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4II3
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![BU of 4ii3 by Molmil](/molmil-images/mine/4ii3) | |
8VFJ
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![BU of 8vfj by Molmil](/molmil-images/mine/8vfj) | Polymerase Beta Host Guest Complex Containing FapydG base paired with TMP | Descriptor: | DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*(FAP)P*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*TP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ... | Authors: | Oden, P.N, Ryan, B.J, Freudenthal, B.D. | Deposit date: | 2023-12-21 | Release date: | 2024-05-08 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta. Nucleic Acids Res., 52, 2024
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3E15
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![BU of 3e15 by Molmil](/molmil-images/mine/3e15) | |