2VPX
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![BU of 2vpx by Molmil](/molmil-images/mine/2vpx) | Polysulfide reductase with bound quinone (UQ1) | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, HYPOTHETICAL MEMBRANE SPANNING PROTEIN, IRON/SULFUR CLUSTER, ... | Authors: | Jormakka, M, Yokoyama, K, Yano, T, Tamakoshi, M, Akimoto, S, Shimamura, T, Curmi, P, Iwata, S. | Deposit date: | 2008-03-09 | Release date: | 2008-06-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Molecular Mechanism of Energy Conservation in Polysulfide Respiration. Nat.Struct.Mol.Biol., 15, 2008
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5I4Z
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![BU of 5i4z by Molmil](/molmil-images/mine/5i4z) | Structure of apo OmoMYC | Descriptor: | CHLORIDE ION, GLYCEROL, Myc proto-oncogene protein, ... | Authors: | Koelmel, W, Jung, L.A, Kuper, J, Eilers, M, Kisker, C. | Deposit date: | 2016-02-13 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | OmoMYC blunts promoter invasion by oncogenic MYC to inhibit gene expression characteristic of MYC-dependent tumors. Oncogene, 36, 2017
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1Y9O
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![BU of 1y9o by Molmil](/molmil-images/mine/1y9o) | 1H NMR Structure of Acylphosphatase from the hyperthermophile Sulfolobus Solfataricus | Descriptor: | Acylphosphatase | Authors: | Corazza, A, Rosano, C, Pagano, K, Alverdi, V, Esposito, G, Capanni, C, Bemporad, F, Plakoutsi, G, Stefani, M, Chiti, F, Zuccotti, S, Bolognesi, M, Viglino, P. | Deposit date: | 2004-12-16 | Release date: | 2005-11-29 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure, conformational stability, and enzymatic properties of acylphosphatase from the hyperthermophile Sulfolobus solfataricus Proteins, 62, 2006
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6HMB
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![BU of 6hmb by Molmil](/molmil-images/mine/6hmb) | STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 Gene product) IN COMPLEX WITH the inhibitor CX-4945 (Silmitasertib) | Descriptor: | 1,2-ETHANEDIOL, 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, CHLORIDE ION, ... | Authors: | Niefind, K, Lindenblatt, D, Applegate, V.M, Jose, J, Le Borgne, M. | Deposit date: | 2018-09-12 | Release date: | 2019-03-27 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures. Acs Omega, 4, 2019
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3NHS
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![BU of 3nhs by Molmil](/molmil-images/mine/3nhs) | |
5IE2
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![BU of 5ie2 by Molmil](/molmil-images/mine/5ie2) | Crystal structure of a plant enzyme | Descriptor: | ACETIC ACID, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Fan, M.R, Li, M, Chang, W.R. | Deposit date: | 2016-02-24 | Release date: | 2016-12-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal Structures of Arabidopsis thaliana Oxalyl-CoA Synthetase Essential for Oxalate Degradation Mol Plant, 9, 2016
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6HMQ
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![BU of 6hmq by Molmil](/molmil-images/mine/6hmq) | STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE BENZOTRIAZOLE-TYPE INHIBITOR MB002 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol, ... | Authors: | Niefind, K, Lindenblatt, D, Applegate, V.M, Jose, J, Le Borgne, M. | Deposit date: | 2018-09-12 | Release date: | 2019-03-27 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures. Acs Omega, 4, 2019
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6HYM
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![BU of 6hym by Molmil](/molmil-images/mine/6hym) | Structure of PCM1 LIR motif bound to GABARAP | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Pericentriolar material 1 protein,Gamma-aminobutyric acid receptor-associated protein | Authors: | Mouilleron, S, Wirth, M, Zhang, W, O'Reilly, N, Tooze, S, Johansen, T, Razi, M, Nyoni, L, Joshi, D. | Deposit date: | 2018-10-22 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Molecular determinants regulating selective binding of autophagy adapters and receptors to ATG8 proteins. Nat Commun, 10, 2019
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5I3B
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![BU of 5i3b by Molmil](/molmil-images/mine/5i3b) | Crystal Structure of tyrosinase from Bacillus megaterium with configuration B of hydroquinone inhibitor in the active site | Descriptor: | Tyrosinase, ZINC ION, benzene-1,4-diol | Authors: | Kanteev, M, Deri, B, Adir, N, Fishman, A. | Deposit date: | 2016-02-10 | Release date: | 2016-10-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The unravelling of the complex pattern of tyrosinase inhibition. Sci Rep, 6, 2016
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2Q6D
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![BU of 2q6d by Molmil](/molmil-images/mine/2q6d) | Crystal structure of infectious bronchitis virus (IBV) main protease | Descriptor: | Infectious bronchitis virus (IBV) main protease | Authors: | Xue, X.Y, Yang, H.T, Xue, F, Bartlam, M, Rao, Z.H. | Deposit date: | 2007-06-04 | Release date: | 2008-02-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structures of two coronavirus main proteases: implications for substrate binding and antiviral drug design. J.Virol., 82, 2008
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6HIW
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![BU of 6hiw by Molmil](/molmil-images/mine/6hiw) | Cryo-EM structure of the Trypanosoma brucei mitochondrial ribosome - This entry contains the complete small mitoribosomal subunit in complex with mt-IF-3 | Descriptor: | 9S rRNA, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ramrath, D, Niemann, M, Leibundgut, M, Bieri, P, Prange, C, Horn, E.K, Leitner, A, Boehringer, D, Schneider, A, Ban, N. | Deposit date: | 2018-08-31 | Release date: | 2018-09-26 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.37 Å) | Cite: | Evolutionary shift toward protein-based architecture in trypanosomal mitochondrial ribosomes. Science, 362, 2018
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3NBE
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![BU of 3nbe by Molmil](/molmil-images/mine/3nbe) | Clitocybe nebularis ricin B-like lectin (CNL) in complex with N,N'-diacetyllactosediamine | Descriptor: | 2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-2-azidoethyl 2-acetamido-2-deoxy-beta-D-glucopyranoside, Ricin B-like lectin, SULFATE ION | Authors: | Renko, M, Pohleven, J, Sabotic, J, Kos, J, Turk, D. | Deposit date: | 2010-06-03 | Release date: | 2011-07-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Bivalent carbohydrate binding is required for biological activity of Clitocybe nebularis lectin (CNL), the N,N'-diacetyllactosediamine (GalNAc beta 1-4GlcNAc, LacdiNAc)-specific lectin from basidiomycete C. nebularis J.Biol.Chem., 287, 2012
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7GS6
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![BU of 7gs6 by Molmil](/molmil-images/mine/7gs6) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-29 | Descriptor: | (3S)-4,7-dichloro-3-hydroxy-1,3-dihydro-2H-indol-2-one, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GRP
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![BU of 7grp by Molmil](/molmil-images/mine/7grp) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-12 | Descriptor: | 1-(2,3-dihydro-1-benzofuran-5-yl)methanamine, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GRG
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![BU of 7grg by Molmil](/molmil-images/mine/7grg) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-3 | Descriptor: | 3,5-dichloropyridin-4-amine, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GRT
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![BU of 7grt by Molmil](/molmil-images/mine/7grt) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-16 | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-[(2,3-dihydro-1-benzofuran-5-yl)methyl]benzamide, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GRK
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![BU of 7grk by Molmil](/molmil-images/mine/7grk) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-7 | Descriptor: | (6-fluoro-2H,4H-1,3-benzodioxin-8-yl)methanol, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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2Q5C
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![BU of 2q5c by Molmil](/molmil-images/mine/2q5c) | Crystal structure of NtrC family transcriptional regulator from Clostridium acetobutylicum | Descriptor: | GLYCEROL, NtrC family transcriptional regulator, SULFATE ION | Authors: | Ramagopal, U.A, Dickey, M, Toro, R, Iizuka, M, Groshong, K, Rodgers, L, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-05-31 | Release date: | 2007-07-03 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Crystal structure of NtrC family transcriptional regulator from Clostridium acetobutylicum. To be Published
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7GRR
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![BU of 7grr by Molmil](/molmil-images/mine/7grr) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-14 | Descriptor: | 3C-like proteinase nsp5, 5-(3-cyclohexylprop-1-yn-1-yl)pyridine-3-carboxylic acid, DIMETHYL SULFOXIDE, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GRY
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![BU of 7gry by Molmil](/molmil-images/mine/7gry) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-21 | Descriptor: | 1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GRI
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![BU of 7gri by Molmil](/molmil-images/mine/7gri) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-5 | Descriptor: | (1S)-1-(1H-pyrazol-5-yl)ethan-1-ol, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GS4
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![BU of 7gs4 by Molmil](/molmil-images/mine/7gs4) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-27 | Descriptor: | 3C-like proteinase nsp5, 7-(hydroxymethyl)-3-methyl-6~{H}-[1,3]thiazolo[3,2-a]pyrimidin-5-one, CHLORIDE ION, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GRL
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![BU of 7grl by Molmil](/molmil-images/mine/7grl) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-8 | Descriptor: | 3C-like proteinase nsp5, 4-(4,5-dibromo-2H-1,2,3-triazol-2-yl)butan-2-one, CHLORIDE ION, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GRE
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![BU of 7gre by Molmil](/molmil-images/mine/7gre) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-1 | Descriptor: | 3C-like proteinase nsp5, 4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]pyridine, CHLORIDE ION, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.M. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GRO
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![BU of 7gro by Molmil](/molmil-images/mine/7gro) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-11 | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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