3NNT
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![BU of 3nnt by Molmil](/molmil-images/mine/3nnt) | Crystal Structure of K170M Mutant of Type I 3-Dehydroquinate Dehydratase (aroD) from Salmonella typhimurium LT2 in Non-Covalent Complex with Dehydroquinate. | Descriptor: | 1,3,4-TRIHYDROXY-5-OXO-CYCLOHEXANECARBOXYLIC ACID, 3-dehydroquinate dehydratase | Authors: | Minasov, G, Light, S.H, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-06-24 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Insights into the mechanism of type I dehydroquinate dehydratases from structures of reaction intermediates. J.Biol.Chem., 286, 2011
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4XOV
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7T44
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![BU of 7t44 by Molmil](/molmil-images/mine/7t44) | Structure of SARS-CoV-2 3CL protease in complex with inhibitor 4c | Descriptor: | (1R,2S)-2-[(N-{[(2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-{[N-({[2-(methanesulfonyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | Authors: | Liu, L, Lovell, S, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. | Deposit date: | 2021-12-09 | Release date: | 2021-12-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease. J.Med.Chem., 65, 2022
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4Q33
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![BU of 4q33 by Molmil](/molmil-images/mine/4q33) | Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from Clostridium perfringens Complexed with IMP and A110 | Descriptor: | 4-[(1R)-1-[1-(4-chlorophenyl)-1,2,3-triazol-4-yl]ethoxy]-1-oxidanyl-quinoline, ACETIC ACID, FORMIC ACID, ... | Authors: | Maltseva, N, Kim, Y, Makowska-Grzyska, M, Mulligan, R, Gu, M, Zhang, M, Mandapati, K, Gollapalli, D.R, Gorla, S.K, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-04-10 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.885 Å) | Cite: | Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from Clostridium perfringens Complexed with IMP and A110 TO BE PUBLISHED
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4QDJ
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4XR9
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![BU of 4xr9 by Molmil](/molmil-images/mine/4xr9) | Crystal structure of CalS8 from Micromonospora echinospora cocrystallized with NAD and TDP-glucose | Descriptor: | CalS8, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Michalska, K, Bigelow, L, Endres, M, Babnigg, G, Bingman, C.A, Yennamalli, R.M, Singh, S, Kharel, M.K, Thorson, J.S, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2015-01-20 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of CalS8 from Micromonospora echinospora To Be Published
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5OWT
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![BU of 5owt by Molmil](/molmil-images/mine/5owt) | Crystal structure of TNKS2 in complex with (5S)-5-methyl-5-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]imidazolidine-2,4-dione | Descriptor: | (5S)-5-methyl-5-[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenyl]imidazolidine-2,4-dione, SULFATE ION, Tankyrase-2, ... | Authors: | Nkizinkiko, Y, Haikarainen, T, Lehtio, L. | Deposit date: | 2017-09-04 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors. Sci Rep, 8, 2018
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4Q7C
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![BU of 4q7c by Molmil](/molmil-images/mine/4q7c) | Structure of AF2299, a CDP-alcohol phosphotransferase | Descriptor: | AF2299, a CDP-alcohol phosphotransferase, CALCIUM ION, ... | Authors: | Clarke, O.B, Sciara, G, Tomasek, D, Banerjee, S, Rajashankar, K.R, Shapiro, L, Mancia, F, New York Consortium on Membrane Protein Structure (NYCOMPS) | Deposit date: | 2014-04-24 | Release date: | 2014-05-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.102 Å) | Cite: | Structural basis for catalysis in a CDP-alcohol phosphotransferase. Nat Commun, 5, 2014
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7T85
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![BU of 7t85 by Molmil](/molmil-images/mine/7t85) | Crystal Structure of the N-terminal Domain of the Phosphate Acetyltransferase from Escherichia coli | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, Phosphate acetyltransferase, ... | Authors: | Kim, Y, Dementiev, A, Welk, L, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-12-15 | Release date: | 2021-12-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of the N-terminal Domain of the Phosphate Acetyltransferase from Escherichia coli To Be Published
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4XCR
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![BU of 4xcr by Molmil](/molmil-images/mine/4xcr) | Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, mutant I35A | Descriptor: | Superoxide dismutase [Cu-Zn] | Authors: | Wang, H, Logan, D.T, Danielsson, J, Mu, X, Binolfi, A, Theillet, F, Bekei, B, Lang, L, Wennerstrom, H, Selenko, P, Oliveberg, M. | Deposit date: | 2014-12-18 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.602 Å) | Cite: | Thermodynamics of protein destabilization in live cells. Proc. Natl. Acad. Sci. U.S.A., 112, 2015
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5ISF
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![BU of 5isf by Molmil](/molmil-images/mine/5isf) | Crystal structure of mouse CARM1 in complex with inhibitor SA0705 | Descriptor: | 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE, ... | Authors: | Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J. | Deposit date: | 2016-03-15 | Release date: | 2017-03-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Crystal structure of mouse CARM1 in complex with inhibitor SA0705 To Be Published
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4QH4
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8JOL
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![BU of 8jol by Molmil](/molmil-images/mine/8jol) | cryo-EM structure of the CED-4/CED-3 holoenzyme | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cell death protein 3, Cell death protein 4, ... | Authors: | Li, Y, Tian, L, Zhang, Y, Shi, Y. | Deposit date: | 2023-06-07 | Release date: | 2023-06-28 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural insights into CED-3 activation. Life Sci Alliance, 6, 2023
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4QDK
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5IJD
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![BU of 5ijd by Molmil](/molmil-images/mine/5ijd) | The crystal structure of mouse TLR4/MD-2/lipid A complex | Descriptor: | (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wang, Y, Su, L, Morin, M.D, Jones, B.T, Whitby, L.R, Surakattula, M, Huang, H, Shi, H, Choi, J.H, Wang, K, Moresco, E.M, Berger, M, Zhan, X, Zhang, H, Boger, D.L, Beutler, B. | Deposit date: | 2016-03-01 | Release date: | 2016-04-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | TLR4/MD-2 activation by a synthetic agonist with no similarity to LPS. Proc.Natl.Acad.Sci.USA, 113, 2016
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4XE5
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![BU of 4xe5 by Molmil](/molmil-images/mine/4xe5) | Crystal structure of the Na,K-ATPase from bovine | Descriptor: | CHOLESTEROL, MAGNESIUM ION, OUABAIN, ... | Authors: | Gregersen, J.L, Mattle, D, Fedosova, N.U, Nissen, P, Reinhard, L. | Deposit date: | 2014-12-22 | Release date: | 2016-03-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.901 Å) | Cite: | Isolation, crystallization and crystal structure determination of bovine kidney Na(+),K(+)-ATPase. Acta Crystallogr.,Sect.F, 72, 2016
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4XYJ
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![BU of 4xyj by Molmil](/molmil-images/mine/4xyj) | Crystal structure of human phosphofructokinase-1 in complex with ATP and Mg, Northeast Structural Genomics Consortium Target HR9275 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent 6-phosphofructokinase, platelet type, ... | Authors: | Forouhar, F, Webb, B.A, Szu, F.-E, Seetharaman, J, Barber, D.L, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2015-02-02 | Release date: | 2015-05-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structures of human phosphofructokinase-1 and atomic basis of cancer-associated mutations. Nature, 523, 2015
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2M6T
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![BU of 2m6t by Molmil](/molmil-images/mine/2m6t) | NMR solution structure ensemble of 3-4D mutant domain 11 IGF2R | Descriptor: | Insulin-like growth factor 2 receptor variant | Authors: | Strickland, M, Williams, C, Richards, E, Minnall, L, Crump, M.P, Frago, S, Hughes, J, Garner, L, Hoppe, H, Rezgui, D, Zaccheo, O.J, Prince, S.N, Hassan, A.B, Whittaker, S. | Deposit date: | 2013-04-09 | Release date: | 2014-10-15 | Last modified: | 2016-06-01 | Method: | SOLUTION NMR | Cite: | Functional evolution of IGF2:IGF2R domain 11 binding generates novel structural interactions and a specific IGF2 antagonist. Proc.Natl.Acad.Sci.USA, 113, 2016
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5IKL
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4PWW
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![BU of 4pww by Molmil](/molmil-images/mine/4pww) | Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR494. | Descriptor: | ACETIC ACID, OR494, PHOSPHATE ION | Authors: | Vorobiev, S, Lin, Y.-R, Seetharaman, J, Xiao, R, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2014-03-21 | Release date: | 2014-04-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.471 Å) | Cite: | Crystal Structure of Engineered Protein OR494. To be Published
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7SU3
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![BU of 7su3 by Molmil](/molmil-images/mine/7su3) | CryoEM structure of DNA-PK complex VII | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*AP*GP*CP*AP*GP*TP*AP*GP*AP*G)-3'), DNA (5'-D(*GP*CP*AP*TP*GP*CP*TP*CP*TP*AP*CP*TP*GP*CP*TP*TP*CP*GP*AP*TP*AP*TP*CP*G)-3'), ... | Authors: | Chen, X, Liu, L, Gellert, M, Yang, W. | Deposit date: | 2021-11-16 | Release date: | 2022-01-12 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Autophosphorylation transforms DNA-PK from protecting to processing DNA ends. Mol.Cell, 82, 2022
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7SUD
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![BU of 7sud by Molmil](/molmil-images/mine/7sud) | CryoEM structure of DNA-PK complex VIII | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA-dependent protein kinase catalytic subunit, MAGNESIUM ION, ... | Authors: | Chen, X, Liu, L, Gellert, M, Yang, W. | Deposit date: | 2021-11-16 | Release date: | 2022-01-12 | Last modified: | 2022-01-19 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Autophosphorylation transforms DNA-PK from protecting to processing DNA ends. Mol.Cell, 82, 2022
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5IS6
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![BU of 5is6 by Molmil](/molmil-images/mine/5is6) | Crystal structure of mouse CARM1 in complex with Sinefungin at 2.0 Angstroms resolution | Descriptor: | 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J. | Deposit date: | 2016-03-15 | Release date: | 2017-03-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.007 Å) | Cite: | Crystal structure of mouse CARM1 in complex with Sinefungin at 2.0 Angstroms resolution To Be Published
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5ISV
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![BU of 5isv by Molmil](/molmil-images/mine/5isv) | Crystal structure of the ribosomal-protein-S18-alanine N-acetyltransferase from Escherichia coli | Descriptor: | Ribosomal-protein-alanine acetyltransferase | Authors: | Filippova, E.V, Minasov, G, Kiryukhina, O, Shuvalova, L, Grimshaw, S, Wolfe, A.J, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-03-15 | Release date: | 2016-04-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Crystal structure of the ribosomal-protein-S18-alanine N-acetyltransferase from Escherichia coli To Be Published
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5ISD
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![BU of 5isd by Molmil](/molmil-images/mine/5isd) | Crystal structure of mouse CARM1 in complex with inhibitor SA0592 | Descriptor: | 1,2-ETHANEDIOL, 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE, 5'-S-[(3S)-3-azaniumyl-3-carboxypropyl]-5'-thioadenosine, ... | Authors: | Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J. | Deposit date: | 2016-03-15 | Release date: | 2017-03-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | Crystal structure of mouse CARM1 in complex with inhibitor SA0592 To Be Published
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