2RAP
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![BU of 2rap by Molmil](/molmil-images/mine/2rap) | THE SMALL G PROTEIN RAP2A IN COMPLEX WITH GTP | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RAP2A | Authors: | Cherfils, J, Menetrey, J, Lebras, G. | Deposit date: | 1998-05-06 | Release date: | 1998-06-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures of the small G protein Rap2A in complex with its substrate GTP, with GDP and with GTPgammaS. EMBO J., 16, 1997
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3D6F
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3D6M
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3CQU
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![BU of 3cqu by Molmil](/molmil-images/mine/3cqu) | Crystal Structure of Akt-1 complexed with substrate peptide and inhibitor | Descriptor: | Glycogen synthase kinase-3 beta, N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, RAC-alpha serine/threonine-protein kinase | Authors: | Pandit, J. | Deposit date: | 2008-04-03 | Release date: | 2008-05-27 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Synthesis and structure based optimization of novel Akt inhibitors Bioorg.Med.Chem.Lett., 18, 2008
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6NYC
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![BU of 6nyc by Molmil](/molmil-images/mine/6nyc) | Munc13-1 C2B-domain, calcium free | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Munc13-1 | Authors: | Tomchick, D.R, Rizo, J, Machius, M, Lu, J. | Deposit date: | 2019-02-11 | Release date: | 2019-02-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.893 Å) | Cite: | Munc13 C2B domain is an activity-dependent Ca2+ regulator of synaptic exocytosis. Nat. Struct. Mol. Biol., 17, 2010
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3D48
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7MBI
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![BU of 7mbi by Molmil](/molmil-images/mine/7mbi) | Structure of SARS-CoV2 3CL protease covalently bound to peptidomimetic inhibitor | Descriptor: | 2,4,6-trimethylpyridine-3-carboxylic acid, 3C-like proteinase, 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide | Authors: | Khan, M.B, Lu, J, Young, H.S, Lemieux, M.J. | Deposit date: | 2021-03-31 | Release date: | 2021-07-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Peptidomimetic alpha-Acyloxymethylketone Warheads with Six-Membered Lactam P1 Glutamine Mimic: SARS-CoV-2 3CL Protease Inhibition, Coronavirus Antiviral Activity, and in Vitro Biological Stability. J.Med.Chem., 65, 2022
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3CIO
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3COG
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![BU of 3cog by Molmil](/molmil-images/mine/3cog) | Crystal structure of human cystathionase (Cystathionine gamma lyase) in complex with DL-propargylglycine | Descriptor: | (2S)-2-aminopent-4-enoic acid, Cystathionine gamma-lyase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Collins, R, Karlberg, T, Lehtio, L, Arrowsmith, C.H, Berglund, H, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Olesen, K, Persson, C, Schuler, H, Svensson, L, Thorsell, A.G, Tresaugues, L, Van den Berg, S, Sagermark, J, Busam, R.D, Welin, M, Weigelt, J, Wikstrom, M, Structural Genomics Consortium (SGC) | Deposit date: | 2008-03-28 | Release date: | 2008-05-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for the inhibition mechanism of human cystathionine gamma-lyase, an enzyme responsible for the production of H(2)S. J.Biol.Chem., 284, 2009
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1X7Z
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![BU of 1x7z by Molmil](/molmil-images/mine/1x7z) | Crystal structure of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase | Descriptor: | 2-oxoisovalerate dehydrogenase alpha subunit, 2-oxoisovalerate dehydrogenase beta subunit, CHLORIDE ION, ... | Authors: | Wynn, R.M, Kato, M, Machius, M, Chuang, J.L, Li, J, Tomchick, D.R, Chuang, D.T. | Deposit date: | 2004-08-16 | Release date: | 2004-11-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Molecular mechanism for regulation of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase complex by phosphorylation Structure, 12, 2004
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1X7Y
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![BU of 1x7y by Molmil](/molmil-images/mine/1x7y) | Crystal structure of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase | Descriptor: | 2-oxoisovalerate dehydrogenase alpha subunit, 2-oxoisovalerate dehydrogenase beta subunit, CHLORIDE ION, ... | Authors: | Wynn, R.M, Kato, M, Machius, M, Chuang, J.L, Li, J, Tomchick, D.R, Chuang, D.T. | Deposit date: | 2004-08-16 | Release date: | 2004-11-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Molecular mechanism for regulation of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase complex by phosphorylation Structure, 12, 2004
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3D5G
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![BU of 3d5g by Molmil](/molmil-images/mine/3d5g) | Structure of ribonuclease Sa2 complexes with mononucleotides: new aspects of catalytic reaction and substrate recognition | Descriptor: | Ribonuclease, SULFATE ION | Authors: | Bauerova-Hlinkova, V, Dvorsky, R, Povazanec, F, Sevcik, J. | Deposit date: | 2008-05-16 | Release date: | 2009-05-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of RNase Sa2 complexes with mononucleotides - new aspects of catalytic reaction and substrate recognition Febs J., 276, 2009
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1XDF
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![BU of 1xdf by Molmil](/molmil-images/mine/1xdf) | Crystal structure of pathogenesis-related protein LlPR-10.2A from yellow lupine | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, PR10.2A, SODIUM ION | Authors: | Pasternak, O, Biesiadka, J, Dolot, R, Handschuh, L, Bujacz, G, Sikorski, M.M, Jaskolski, M. | Deposit date: | 2004-09-06 | Release date: | 2005-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of a yellow lupin pathogenesis-related PR-10 protein belonging to a novel subclass. Acta Crystallogr.,Sect.D, 61, 2005
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1X6W
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7MKJ
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![BU of 7mkj by Molmil](/molmil-images/mine/7mkj) | Cryo-EM structure of Escherichia coli RNA polymerase bound to T7A1 promoter DNA | Descriptor: | CHAPSO, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Saecker, R.M, Darst, S.A, Chen, J. | Deposit date: | 2021-04-23 | Release date: | 2021-09-29 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural origins of Escherichia coli RNA polymerase open promoter complex stability. Proc.Natl.Acad.Sci.USA, 118, 2021
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7MKD
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![BU of 7mkd by Molmil](/molmil-images/mine/7mkd) | Cryo-EM structure of Escherichia coli RNA polymerase bound to lambda PR promoter DNA (class 1) | Descriptor: | CHAPSO, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Saecker, R.M, Darst, S.A, Chen, J. | Deposit date: | 2021-04-23 | Release date: | 2021-09-29 | Last modified: | 2021-10-13 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural origins of Escherichia coli RNA polymerase open promoter complex stability. Proc.Natl.Acad.Sci.USA, 118, 2021
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7MKE
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![BU of 7mke by Molmil](/molmil-images/mine/7mke) | Cryo-EM structure of Escherichia coli RNA polymerase bound to lambda PR promoter DNA (class 2) | Descriptor: | CHAPSO, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Saecker, R.M, Darst, S.A, Chen, J. | Deposit date: | 2021-04-23 | Release date: | 2021-09-29 | Last modified: | 2021-10-13 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structural origins of Escherichia coli RNA polymerase open promoter complex stability. Proc.Natl.Acad.Sci.USA, 118, 2021
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1X80
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![BU of 1x80 by Molmil](/molmil-images/mine/1x80) | Crystal structure of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase | Descriptor: | 2-oxoisovalerate dehydrogenase alpha subunit, 2-oxoisovalerate dehydrogenase beta subunit, CHLORIDE ION, ... | Authors: | Wynn, R.M, Kato, M, Machius, M, Chuang, J.L, Li, J, Tomchick, D.R, Chuang, D.T. | Deposit date: | 2004-08-16 | Release date: | 2004-11-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular mechanism for regulation of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase complex by phosphorylation Structure, 12, 2004
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7MKI
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![BU of 7mki by Molmil](/molmil-images/mine/7mki) | Cryo-EM structure of Escherichia coli RNA polymerase bound to lambda PR (-5G to C) promoter DNA | Descriptor: | CHAPSO, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Saecker, R.M, Darst, S.A, Chen, J. | Deposit date: | 2021-04-23 | Release date: | 2021-09-29 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural origins of Escherichia coli RNA polymerase open promoter complex stability. Proc.Natl.Acad.Sci.USA, 118, 2021
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7XOE
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![BU of 7xoe by Molmil](/molmil-images/mine/7xoe) | Cryo-EM structure of S glycoprotein encoded by the Covid-19 mRNA vaccine candidate RQ3013 (Prefusion state) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,peptide | Authors: | Wu, Z, Yu, Z, Tan, S, Lu, J, Lu, G, Lin, J. | Deposit date: | 2022-05-01 | Release date: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Preclinical evaluation of RQ3013, a broad-spectrum mRNA vaccine against SARS-CoV-2 variants. Sci Bull (Beijing), 68, 2023
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7XOG
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![BU of 7xog by Molmil](/molmil-images/mine/7xog) | Cryo-EM structure of S glycoprotein encoded by the Covid-19 mRNA vaccine candidate RQ3013 (Postfusion state) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,peptide, ... | Authors: | Wu, Z, Yu, Z, Tan, S, Lu, J, Lu, G, Lin, J. | Deposit date: | 2022-05-01 | Release date: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Preclinical evaluation of RQ3013, a broad-spectrum mRNA vaccine against SARS-CoV-2 variants. Sci Bull (Beijing), 68, 2023
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5W8I
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![BU of 5w8i by Molmil](/molmil-images/mine/5w8i) | Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 23 and Zinc | Descriptor: | 2-[3-(3,4-difluorophenyl)-5-hydroxy-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, CITRIC ACID, DIMETHYL SULFOXIDE, ... | Authors: | Lukacs, C.M, Abendroth, J. | Deposit date: | 2017-06-21 | Release date: | 2018-01-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH). J. Med. Chem., 60, 2017
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4UNR
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![BU of 4unr by Molmil](/molmil-images/mine/4unr) | Mtb TMK in complex with compound 23 | Descriptor: | 4-[3-cyano-2-oxo-7-(1H-pyrazol-4-yl)-5,6-dihydro-1H-benzo[h]quinolin-4-yl]benzoic acid, MAGNESIUM ION, Thymidylate kinase | Authors: | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | Deposit date: | 2014-05-30 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
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4UNN
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![BU of 4unn by Molmil](/molmil-images/mine/4unn) | Mtb TMK in complex with compound 8 | Descriptor: | 4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]benzoic acid, THYMIDYLATE KINASE | Authors: | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | Deposit date: | 2014-05-29 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
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2G7O
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![BU of 2g7o by Molmil](/molmil-images/mine/2g7o) | Protonation-mediated structural flexibility in the F conjugation regulatory protein, TraM | Descriptor: | Protein traM | Authors: | Lu, J, Edwards, R.A, Wong, J.J, Manchak, J, Scott, P.G, Frost, L.S, Glover, J.N. | Deposit date: | 2006-02-28 | Release date: | 2006-06-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Protonation-mediated structural flexibility in the F conjugation regulatory protein, TraM. Embo J., 25, 2006
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