6LCE
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7KDD
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![BU of 7kdd by Molmil](/molmil-images/mine/7kdd) | HCMV postfusion gB in complex with SM5-1 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Envelope glycoprotein B, ... | Authors: | Liu, Y, Heim, P.K, Che, Y, Chi, X, Qiu, X, Han, S, Dormitzer, P.R, Yang, X. | Deposit date: | 2020-10-08 | Release date: | 2021-03-17 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Prefusion structure of human cytomegalovirus glycoprotein B and structural basis for membrane fusion. Sci Adv, 7, 2021
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1LS9
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4MR5
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![BU of 4mr5 by Molmil](/molmil-images/mine/4mr5) | Crystal Structure of the second bromodomain of human BRD2 in complex with a quinazolinone ligand (RVX-OH) | Descriptor: | 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 2, ... | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-09-17 | Release date: | 2013-11-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain. Proc.Natl.Acad.Sci.USA, 110, 2013
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4MKB
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4MIK
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![BU of 4mik by Molmil](/molmil-images/mine/4mik) | Crystal Structure of hPNMT in Complex with bisubstrate inhibitor (2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-(((2-(((7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl)amino)ethyl)thio)methyl)tetrahydrofuran-3,4-diol | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 9-{5-S-[2-({[(3S)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl}amino)ethyl]-5-thio-alpha-L-lyxofuranosyl}-9H-purin-6-amine, Phenylethanolamine N-methyltransferase | Authors: | Bart, A.G, Scott, E.E. | Deposit date: | 2013-08-31 | Release date: | 2014-09-10 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.9506 Å) | Cite: | To be published To be Published
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4MM2
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![BU of 4mm2 by Molmil](/molmil-images/mine/4mm2) | Crystal structure of yeast primase catalytic subunit | Descriptor: | CADMIUM ION, CITRIC ACID, DNA primase small subunit | Authors: | Park, K.R, An, J.Y, Lee, Y, Youn, H.S, Lee, J.G, Kang, J.Y, Kim, T.G, Lim, J.J, Eom, S.H, Wang, J. | Deposit date: | 2013-09-07 | Release date: | 2014-09-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of yeast primase catalytic subunit To be Published
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4MMT
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![BU of 4mmt by Molmil](/molmil-images/mine/4mmt) | Crystal Structure of Prefusion-stabilized RSV F Variant DS-Cav1 at pH 9.5 | Descriptor: | Fusion glycoprotein F1 fused with Fibritin trimerization domain, Fusion glycoprotein F2 | Authors: | Joyce, M.G, Mclellan, J.S, Stewart-Jones, G.B.E, Sastry, M, Yang, Y, Graham, B.S, Kwong, P.D. | Deposit date: | 2013-09-09 | Release date: | 2013-11-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structure-based design of a fusion glycoprotein vaccine for respiratory syncytial virus. Science, 342, 2013
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4MIB
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![BU of 4mib by Molmil](/molmil-images/mine/4mib) | Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with Compound 48 (N-({(3S)-1-[6-tert-butyl-5-methoxy-8-(2-oxo-1,2-dihydropyridin-3-yl)quinolin-3-yl]pyrrolidin-3-yl}methyl)methanesulfonamide) | Descriptor: | DIMETHYL SULFOXIDE, N-({(3S)-1-[6-tert-butyl-5-methoxy-8-(2-oxo-1,2-dihydropyridin-3-yl)quinolin-3-yl]pyrrolidin-3-yl}methyl)methanesulfonamide, RNA-DIRECTED RNA POLYMERASE | Authors: | Harris, S.F, Villasenor, A.G. | Deposit date: | 2013-08-30 | Release date: | 2014-05-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of N-[4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-1H-pyridin-3-yl)-3-quinolyl]phenyl]methanesulfonamide (RG7109), a potent inhibitor of the hepatitis C virus NS5B polymerase. J.Med.Chem., 57, 2014
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7KA0
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![BU of 7ka0 by Molmil](/molmil-images/mine/7ka0) | Crystal structure of the complex of M. tuberculosis PheRS with cognate precursor tRNA and phenylalanine | Descriptor: | ACETATE ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Chang, C, Michalska, K, Jedrzejczak, R, Wower, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-09-29 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Mycobacterium tuberculosis Phe-tRNA synthetase: structural insights into tRNA recognition and aminoacylation. Nucleic Acids Res., 49, 2021
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4MJ9
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![BU of 4mj9 by Molmil](/molmil-images/mine/4mj9) | lambda-[Ru(TAP)2(dppz-10-Me)]2+ bound to a synthetic DNA oligomer | Descriptor: | (10-methyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium(2+), BARIUM ION, CHLORIDE ION, ... | Authors: | Hall, J.P, Cardin, C.J. | Deposit date: | 2013-09-03 | Release date: | 2014-09-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | The Structural Effect of Methyl Substitution on the Binding of Polypyridyl Ru dppz Complexes to DNA Organometallics, 2015
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4MMQ
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![BU of 4mmq by Molmil](/molmil-images/mine/4mmq) | Crystal Structure of Prefusion-stabilized RSV F Variant DS | Descriptor: | Fusion glycoprotein F1 fused with Fibritin trimerization domain, Fusion glycoprotein F2, SULFATE ION | Authors: | Mclellan, J.S, Joyce, M.G, Stewart-Jones, G.B.E, Sastry, M, Yang, Y, Graham, B.S, Kwong, P.D. | Deposit date: | 2013-09-09 | Release date: | 2013-11-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.253 Å) | Cite: | Structure-based design of a fusion glycoprotein vaccine for respiratory syncytial virus. Science, 342, 2013
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6LFA
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![BU of 6lfa by Molmil](/molmil-images/mine/6lfa) | Structure of the N-terminal domain of Wag31 | Descriptor: | Cell wall synthesis protein Wag31, TRIETHYLENE GLYCOL | Authors: | Chaudhuri, B.N, Choukate, K. | Deposit date: | 2019-11-30 | Release date: | 2020-07-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis of self-assembly in the lipid-binding domain of mycobacterial polar growth factor Wag31 Iucrj, 7, 2020
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7JQ7
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![BU of 7jq7 by Molmil](/molmil-images/mine/7jq7) | The Phi-28 gp11 DNA packaging Motor | Descriptor: | Encapsidation protein, IODIDE ION, SULFATE ION | Authors: | Morais, M.C, White, M.A, Dill, E. | Deposit date: | 2020-08-10 | Release date: | 2021-06-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.895 Å) | Cite: | Atomistic basis of force generation, translocation, and coordination in a viral genome packaging motor. Nucleic Acids Res., 49, 2021
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4N1G
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![BU of 4n1g by Molmil](/molmil-images/mine/4n1g) | Crystal Structure of Ca(2+)- discharged F88Y obelin mutant from Obelia longissima at 1.50 Angstrom resolution | Descriptor: | CALCIUM ION, N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE, Obelin | Authors: | Natashin, P.V, Markova, S.V, Lee, J, Vysotski, E.S, Liu, Z.J. | Deposit date: | 2013-10-04 | Release date: | 2014-02-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structures of the F88Y obelin mutant before and after bioluminescence provide molecular insight into spectral tuning among hydromedusan photoproteins Febs J., 281, 2014
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6L6E
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![BU of 6l6e by Molmil](/molmil-images/mine/6l6e) | Human PDE5 catalytic core in complex with avanafil | Descriptor: | 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimid ine-5-carboxamide, MAGNESIUM ION, SULFATE ION, ... | Authors: | Hsieh, C.M, Chan, N.L. | Deposit date: | 2019-10-28 | Release date: | 2020-09-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structure of Human Phosphodiesterase 5A1 Complexed with Avanafil Reveals Molecular Basis of Isoform Selectivity and Guidelines for Targeting alpha-Helix Backbone Oxygen by Halogen Bonding. J.Med.Chem., 63, 2020
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7K9N
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![BU of 7k9n by Molmil](/molmil-images/mine/7k9n) | Co-crystal structure of alpha glucosidase with compound 2 | Descriptor: | (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(9-methoxynonyl)amino]cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, Alpha glucosidase 2 alpha neutral subunit, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2020-09-29 | Release date: | 2021-09-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | N-Substituted Valiolamine Derivatives as Potent Inhibitors of Endoplasmic Reticulum alpha-Glucosidases I and II with Antiviral Activity. J.Med.Chem., 64, 2021
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4MYS
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![BU of 4mys by Molmil](/molmil-images/mine/4mys) | 1.4 Angstrom Crystal Structure of 2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate synthase with SHCHC and Pyruvate | Descriptor: | 2-(3-CARBOXYPROPIONYL)-6-HYDROXY-CYCLOHEXA-2,4-DIENE CARBOXYLIC ACID, 2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate synthase, GLYCEROL, ... | Authors: | Sun, Y, Yin, S, Feng, Y, Li, J, Zhou, J, Liu, C, Zhu, G, Guo, Z. | Deposit date: | 2013-09-28 | Release date: | 2014-04-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.423 Å) | Cite: | Molecular basis of the general base catalysis of an alpha / beta-hydrolase catalytic triad. J.Biol.Chem., 289, 2014
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7K9O
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![BU of 7k9o by Molmil](/molmil-images/mine/7k9o) | Co-crystal structure of alpha glucosidase with compound 3 | Descriptor: | (1~{S},2~{S},3~{R},4~{S},5~{S})-1-(hydroxymethyl)-5-[6-[[2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-4-(1,2,3,4-tetrazol-1-yl)phenyl]amino]hexylamino]cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, Alpha glucosidase 2 alpha neutral subunit, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2020-09-29 | Release date: | 2021-09-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.302 Å) | Cite: | N-Substituted Valiolamine Derivatives as Potent Inhibitors of Endoplasmic Reticulum alpha-Glucosidases I and II with Antiviral Activity. J.Med.Chem., 64, 2021
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7KA1
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![BU of 7ka1 by Molmil](/molmil-images/mine/7ka1) | 1.60 Angstrom resolution crystal structure of the beta-Q114A mutant Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the alpha-site, aminoacrylate at the beta site, and cesium ion at the metal coordination site | Descriptor: | 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, ... | Authors: | Hilario, E, Dunn, M.F, Mueller, L.J. | Deposit date: | 2020-09-29 | Release date: | 2021-09-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | 1.60 Angstrom resolution crystal structure of the beta-Q114A mutant Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the alpha-site, aminoacrylate at the beta site, and cesium ion at the metal coordination site. To be Published
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7K9T
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![BU of 7k9t by Molmil](/molmil-images/mine/7k9t) | Co-crystal structure of alpha glucosidase with compound 5 | Descriptor: | (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-{[(5Z)-6-{[2-nitro-4-(2H-1,2,3-triazol-2-yl)phenyl]amino}hex-5-en-1-yl]amino}cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, Alpha glucosidase 2 alpha neutral subunit, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2020-09-29 | Release date: | 2021-09-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | N-Substituted Valiolamine Derivatives as Potent Inhibitors of Endoplasmic Reticulum alpha-Glucosidases I and II with Antiviral Activity. J.Med.Chem., 64, 2021
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6LD9
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7K9Q
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![BU of 7k9q by Molmil](/molmil-images/mine/7k9q) | Co-crystal structure of alpha glucosidase with compound 4 | Descriptor: | (1S,2S,3R,4S,5S)-5-amino-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, Alpha glucosidase 2 alpha neutral subunit, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2020-09-29 | Release date: | 2021-09-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | N-Substituted Valiolamine Derivatives as Potent Inhibitors of Endoplasmic Reticulum alpha-Glucosidases I and II with Antiviral Activity. J.Med.Chem., 64, 2021
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7KB6
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![BU of 7kb6 by Molmil](/molmil-images/mine/7kb6) | Co-crystal structure of alpha glucosidase with compound 7 | Descriptor: | (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(pyrimidin-2-yl)phenyl]amino}hexyl)amino]cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2020-10-01 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | N-Substituted Valiolamine Derivatives as Potent Inhibitors of Endoplasmic Reticulum alpha-Glucosidases I and II with Antiviral Activity. J.Med.Chem., 64, 2021
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4MT6
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