4RM1
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8SWH
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![BU of 8swh by Molmil](/molmil-images/mine/8swh) | |
5J16
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4TU4
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![BU of 4tu4 by Molmil](/molmil-images/mine/4tu4) | Crystal structure of ATAD2A bromodomain complexed with 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(phenylsulfonyl)amino]benzoicacid | Descriptor: | 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(phenylsulfonyl)amino]benzoic acid, ATPase family AAA domain-containing protein 2, CHLORIDE ION, ... | Authors: | Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J. | Deposit date: | 2014-06-23 | Release date: | 2014-12-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2. Biochem.J., 466, 2015
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5J1V
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![BU of 5j1v by Molmil](/molmil-images/mine/5j1v) | Crystal structure of human CLK1 in complex with pyrido[3,4-g]quinazoline derivative ZW29 (compound 13) | Descriptor: | Dual specificity protein kinase CLK1, GLYCEROL, pyrido[3,4-g]quinazoline-2,10-diamine | Authors: | Chaikuad, A, Esvan, Y.J, Zeinyeh, W, Boibessot, T, Nauton, L, Thery, V, Loaec, N, Meijer, L, Giraud, F, Moreau, P, Anizon, F, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2016-03-29 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Discovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co-crystal structure. Eur.J.Med.Chem., 118, 2016
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7NT3
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![BU of 7nt3 by Molmil](/molmil-images/mine/7nt3) | Crystal structure of SARS CoV2 main protease in complex with FSCU015 | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(1~{S})-2-(1,3-benzodioxol-5-ylmethylamino)-1-(3-hydroxyphenyl)-2-oxidanylidene-ethyl]-~{N}-propyl-prop-2-enamide | Authors: | Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R. | Deposit date: | 2021-03-08 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.325 Å) | Cite: | Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification. Angew.Chem.Int.Ed.Engl., 60, 2021
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7NTK
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![BU of 7ntk by Molmil](/molmil-images/mine/7ntk) | PALS1 PDZ1 domain with SARS-CoV-2_E PBM complex | Descriptor: | 1,2-ETHANEDIOL, CITRATE ANION, Envelope small membrane protein, ... | Authors: | Javorsky, A, Kvansakul, M. | Deposit date: | 2021-03-10 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis of coronavirus E protein interactions with human PALS1 PDZ domain. Commun Biol, 4, 2021
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3SBL
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![BU of 3sbl by Molmil](/molmil-images/mine/3sbl) | Crystal Structure of New Delhi Metal-beta-lactamase-1 from Klebsiella pneumoniae | Descriptor: | Beta-lactamase NDM-1, CITRIC ACID | Authors: | Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, J, Binkowski, T.A, Mire, J, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | Deposit date: | 2011-06-05 | Release date: | 2011-06-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structure of Apo- and Monometalated Forms of NDM-1 A Highly Potent Carbapenem-Hydrolyzing Metallo-beta-Lactamase Plos One, 6, 2011
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7NTV
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![BU of 7ntv by Molmil](/molmil-images/mine/7ntv) | Crystal structure of SARS CoV2 main protease in complex with DN_EG_002 (modelled using PanDDA event map) | Descriptor: | 2-acetamido-N-cyclopropyl-5-phenyl-thiophene-3-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R. | Deposit date: | 2021-03-10 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.065 Å) | Cite: | Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification. Angew.Chem.Int.Ed.Engl., 60, 2021
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5J2L
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![BU of 5j2l by Molmil](/molmil-images/mine/5j2l) | De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity | Descriptor: | protein design 2L4HC2_11 | Authors: | Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G. | Deposit date: | 2016-03-29 | Release date: | 2016-05-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity. Science, 352, 2016
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4RL9
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4RLK
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![BU of 4rlk by Molmil](/molmil-images/mine/4rlk) | Crystal structure of Z. mays CK2alpha in complex with the ATP-competitive inhibitor 4-[(E)-(fluoren-9-ylidenehydrazinylidene)-methyl] benzoate | Descriptor: | 4-[(E)-(9H-fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid, ACETATE ION, Casein kinase II subunit alpha, ... | Authors: | Guerra, B, Rasmussen, T.D.L, Schnitzler, A, Jensen, H.H, Boldyreff, B.S, Miyata, Y, Marcussen, N, Niefind, K, Issinger, O.G. | Deposit date: | 2014-10-17 | Release date: | 2014-12-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Protein kinase CK2 inhibition is associated with the destabilization of HIF-1 alpha in human cancer cells. Cancer Lett, 356, 2015
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8SQ7
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![BU of 8sq7 by Molmil](/molmil-images/mine/8sq7) | X-ray crystal structure of Acinetobacter baumanii beta-lactamase variant OXA-82 K83D in complex with doripenem | Descriptor: | (4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase OXA-82, CITRATE ANION, ... | Authors: | Powers, R.A, Leonard, D.A, June, C.M, Szarecka, A, Wawrzak, Z. | Deposit date: | 2023-05-04 | Release date: | 2024-05-22 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural and Dynamic Features of Acinetobacter baumannii OXA-66 beta-Lactamase Explain Its Stability and Evolution of Novel Variants. J.Mol.Biol., 436, 2024
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7NUK
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![BU of 7nuk by Molmil](/molmil-images/mine/7nuk) | Crystal structure of SARS CoV2 main protease in complex with EG009 (modelled using PanDDA event map) | Descriptor: | 2-[2-chloranylethanoyl(propyl)amino]-~{N}-(2-methoxyphenyl)ethanamide, 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R. | Deposit date: | 2021-03-12 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification. Angew.Chem.Int.Ed.Engl., 60, 2021
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4RO3
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![BU of 4ro3 by Molmil](/molmil-images/mine/4ro3) | 1.8 Angstrom Crystal Structure of the N-terminal Domain of Protein with Unknown Function from Vibrio cholerae. | Descriptor: | Hypothetical Protein, SULFATE ION | Authors: | Minasov, G, Wawrzak, Z, Stogios, P.J, Skarina, T, Seed, K.D, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-10-27 | Release date: | 2014-12-03 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 1.8 Angstrom Crystal Structure of the N-terminal Domain of Protein with Unknown Function from Vibrio cholerae. To be Published
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4ROD
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![BU of 4rod by Molmil](/molmil-images/mine/4rod) | Human TFIIB-related factor 2 (Brf2) and TBP bound to TRNAU1 promoter | Descriptor: | Non-template strand, TATA-box-binding protein, Template strand, ... | Authors: | Vannini, A, Gouge, J, Satia, K, Guthertz, N. | Deposit date: | 2014-10-28 | Release date: | 2015-12-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Redox Signaling by the RNA Polymerase III TFIIB-Related Factor Brf2. Cell(Cambridge,Mass.), 163, 2015
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7OF7
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![BU of 7of7 by Molmil](/molmil-images/mine/7of7) | Structure of a human mitochondrial ribosome large subunit assembly intermediate in complex with MTERF4-NSUN4 and GTPBP5 (dataset1). | Descriptor: | 16S ribosomal RNA, 39S ribosomal protein L10, mitochondrial, ... | Authors: | Hillen, H.S, Lavdovskaia, E, Nadler, F, Hanitsch, E, Linden, A, Bohnsack, K.E, Urlaub, H, Richter-Dennerlein, R. | Deposit date: | 2021-05-04 | Release date: | 2021-06-23 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Structural basis of GTPase-mediated mitochondrial ribosome biogenesis and recycling. Nat Commun, 12, 2021
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4RPQ
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7O88
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3SGM
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![BU of 3sgm by Molmil](/molmil-images/mine/3sgm) | Bromoderivative-2 of amyloid-related segment of alphaB-crystallin residues 90-100 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Alpha-crystallin B chain | Authors: | Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D. | Deposit date: | 2011-06-15 | Release date: | 2012-03-21 | Method: | X-RAY DIFFRACTION (1.7006 Å) | Cite: | Atomic view of a toxic amyloid small oligomer. Science, 335, 2012
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4RSZ
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3HSM
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![BU of 3hsm by Molmil](/molmil-images/mine/3hsm) | Crystal structure of distal N-terminal beta-trefoil domain of Ryanodine Receptor type 1 | Descriptor: | Ryanodine receptor 1 | Authors: | Amador, F.J, Liu, S, Ishiyama, N, Plevin, M.J, Wilson, A, MacLennan, D.H, Ikura, M. | Deposit date: | 2009-06-10 | Release date: | 2009-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of type I ryanodine receptor amino-terminal beta-trefoil domain reveals a disease-associated mutation "hot spot" loop Proc.Natl.Acad.Sci.USA, 106, 2009
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3SGR
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![BU of 3sgr by Molmil](/molmil-images/mine/3sgr) | Tandem repeat of amyloid-related segment of alphaB-crystallin residues 90-100 mutant V91L | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Tandem repeat of amyloid-related segment of alphaB-crystallin residues 90-100 mutant V91L | Authors: | Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D. | Deposit date: | 2011-06-15 | Release date: | 2012-03-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Atomic view of a toxic amyloid small oligomer. Science, 335, 2012
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5L7V
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![BU of 5l7v by Molmil](/molmil-images/mine/5l7v) | Crystal Structure of BvGH123 with bond transition state analog Galthiazoline. | Descriptor: | (3aR,5R,6R,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol, glycoside hydrolase | Authors: | Roth, C, Petricevic, M, John, A, Goddard-Borger, E.D, Davies, G.J, Williams, S.J. | Deposit date: | 2016-06-03 | Release date: | 2017-03-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and mechanistic insights into a Bacteroides vulgatus retaining N-acetyl-beta-galactosaminidase that uses neighbouring group participation. Chem. Commun. (Camb.), 52, 2016
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4RU0
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![BU of 4ru0 by Molmil](/molmil-images/mine/4ru0) | The crystal structure of abc transporter permease from pseudomonas fluorescens group | Descriptor: | 3,6,9,12,15-PENTAOXAHEPTADECANE, GLYCEROL, Putative branched-chain amino acid ABC transporter, ... | Authors: | Wu, R, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-11-17 | Release date: | 2014-11-26 | Method: | X-RAY DIFFRACTION (2.442 Å) | Cite: | The crystal structure of abc transporter permease from pseudomonas fluorescens group To be Published
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