3MNP
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![BU of 3mnp by Molmil](/molmil-images/mine/3mnp) | Crystal structure of the agonist form of mouse glucocorticoid receptor stabilized by (A611V, V708A, E711G) mutations at 1.50A | Descriptor: | DEXAMETHASONE, GLYCEROL, Glucocorticoid receptor, ... | Authors: | Schoch, G.A, Seitz, T, Benz, J, Banner, D, Stihle, M, D'Arcy, B, Thoma, R, Sterner, R, Hennig, M, Ruf, A. | Deposit date: | 2010-04-22 | Release date: | 2010-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Enhancing the stability and solubility of the glucocorticoid receptor ligand-binding domain by high-throughput library screening. J.Mol.Biol., 403, 2010
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3MOO
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![BU of 3moo by Molmil](/molmil-images/mine/3moo) | Crystal structure of the HmuO, heme oxygenase from Corynebacterium diphtheriae, in complex with azide-bound verdoheme | Descriptor: | 5-OXA-PROTOPORPHYRIN IX CONTAINING FE, AZIDE ION, Heme oxygenase, ... | Authors: | Omori, K, Matsui, T, Unno, M, Ikeda-Saito, M. | Deposit date: | 2010-04-22 | Release date: | 2011-03-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Enzymatic ring-opening mechanism of verdoheme by the heme oxygenase: a combined X-ray crystallography and QM/MM study. J.Am.Chem.Soc., 132, 2010
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5MC6
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![BU of 5mc6 by Molmil](/molmil-images/mine/5mc6) | Cryo-EM structure of a native ribosome-Ski2-Ski3-Ski8 complex from S. cerevisiae | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ... | Authors: | Schmidt, C, Kowalinski, E, Shanmuganathan, V, Defenouillere, Q, Braunger, K, Heuer, A, Pech, M, Namane, A, Berninghausen, O, Fromont-Racine, M, Jacquier, A, Conti, E, Becker, T, Beckmann, R. | Deposit date: | 2016-11-09 | Release date: | 2017-01-18 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | The cryo-EM structure of a ribosome-Ski2-Ski3-Ski8 helicase complex. Science, 354, 2016
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5JD6
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![BU of 5jd6 by Molmil](/molmil-images/mine/5jd6) | Crystal structure of MGS-MChE2, an alpha/beta hydrolase enzyme from the metagenome of sediments from the lagoon of Mar Chica, Morocco | Descriptor: | MGS-MChE2 | Authors: | Stogios, P.J, Xu, X, Nocek, B, Yim, V, Cui, H, Martinez-Martinez, M, Golyshin, P.N, Yakima, M.M, Ferrer, M, Savchenko, A. | Deposit date: | 2016-04-15 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.463 Å) | Cite: | Crystal structure of MGS-MChE2, an alpha/beta hydrolase enzyme from the metagenome of sediments from the lagoon of Mar Chica, Morocco To Be Published
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7QNV
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![BU of 7qnv by Molmil](/molmil-images/mine/7qnv) | |
1H4Q
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![BU of 1h4q by Molmil](/molmil-images/mine/1h4q) | Prolyl-tRNA synthetase from Thermus thermophilus complexed with tRNApro(CGG), ATP and prolinol | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, PROLYL-TRNA SYNTHETASE, PYRROLIDINE-2-CARBALDEHYDE, ... | Authors: | Yaremchuk, A, Tukalo, M, Cusack, S. | Deposit date: | 2001-05-13 | Release date: | 2001-06-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A Succession of Substrate Induced Conformational Changes Ensures the Amino Acid Specificity of Thermus Thermophilus Prolyl-tRNA Synthetase: Comparison with Histidyl-tRNA Synthetase J.Mol.Biol., 309, 2001
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7BG4
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![BU of 7bg4 by Molmil](/molmil-images/mine/7bg4) | Multidrug resistance transporter BmrA mutant E504A bound with ATP, Mg, and Rhodamine 6G solved by Cryo-EM | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Multidrug resistance ABC transporter ATP-binding/permease protein BmrA, ... | Authors: | Wiseman, B, Chaptal, V, Zampieri, V, Magnard, S, Hogbom, M, Falson, P. | Deposit date: | 2021-01-05 | Release date: | 2022-01-12 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Substrate-bound and substrate-free outward-facing structures of a multidrug ABC exporter. Sci Adv, 8, 2022
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7QOB
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6K4H
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![BU of 6k4h by Molmil](/molmil-images/mine/6k4h) | Crystal structure of the PI5P4Kbeta-AMPPNP complex | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta | Authors: | Takeuchi, K, Senda, M, Senda, T. | Deposit date: | 2019-05-23 | Release date: | 2020-05-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | The GTP responsiveness of PI5P4K beta evolved from a compromised trade-off between activity and specificity. Structure, 2022
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3MF1
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![BU of 3mf1 by Molmil](/molmil-images/mine/3mf1) | Crystal structure of class II aaRS homologue (Bll0957) complexed with an analogue of glycyl adenylate | Descriptor: | 5'-O-(glycylsulfamoyl)adenosine, Bll0957 protein, ZINC ION | Authors: | Weygand-Durasevic, I, Mocibob, M, Ivic, N, Bilokapic, S, Maier, T, Luic, M, Ban, N. | Deposit date: | 2010-04-01 | Release date: | 2010-07-28 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Homologs of aminoacyl-tRNA synthetases acylate carrier proteins and provide a link between ribosomal and nonribosomal peptide synthesis Proc.Natl.Acad.Sci.USA, 107, 2010
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6G2U
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![BU of 6g2u by Molmil](/molmil-images/mine/6g2u) | Crystal structure of the human glutamate dehydrogenase 2 (hGDH2) | Descriptor: | CHLORIDE ION, Glutamate dehydrogenase 2, mitochondrial, ... | Authors: | Fadouloglou, V.F, Dimovasili, C, Providaki, M, Kotsifaki, D, Sarrou, I, Plaitakis, A, Zaganas, I, Kokkinidis, M. | Deposit date: | 2018-03-23 | Release date: | 2019-04-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.934287 Å) | Cite: | Crystal structure of glutamate dehydrogenase 2, a positively selected novel human enzyme involved in brain biology and cancer pathophysiology. J.Neurochem., 2021
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6HAY
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![BU of 6hay by Molmil](/molmil-images/mine/6hay) | Crystal structure of PROTAC 1 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB | Descriptor: | (2~{S},4~{R})-~{N}-[[2-[2-[2-[2-[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Roy, M, Bader, G, Diers, E, Trainor, N, Farnaby, W, Ciulli, A. | Deposit date: | 2018-08-09 | Release date: | 2019-06-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design. Nat.Chem.Biol., 15, 2019
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5EYL
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![BU of 5eyl by Molmil](/molmil-images/mine/5eyl) | TUBULIN-BINDING DARPIN | Descriptor: | DESIGNED ANKYRIN REPEAT PROTEIN (DARPIN), GLYCEROL, PHOSPHATE ION | Authors: | Ahmad, S, Kossow, M, Gigant, B. | Deposit date: | 2015-11-25 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Destabilizing an interacting motif strengthens the association of a designed ankyrin repeat protein with tubulin. Sci Rep, 6, 2016
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3MH1
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![BU of 3mh1 by Molmil](/molmil-images/mine/3mh1) | Mutagenesis of p38 MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-out state | Descriptor: | Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B. | Deposit date: | 2010-04-07 | Release date: | 2010-04-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mutagenesis of p38alpha MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-OUT state. Biochemistry, 46, 2007
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5NDK
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![BU of 5ndk by Molmil](/molmil-images/mine/5ndk) | Crystal structure of aminoglycoside TC007 co-crystallized with 70S ribosome from Thermus thermophilus, three tRNAs and mRNA | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Prokhorova, I, Djumagulov, M, Urzhumtsev, A, Yusupov, M, Yusupova, G. | Deposit date: | 2017-03-08 | Release date: | 2017-12-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Aminoglycoside interactions and impacts on the eukaryotic ribosome. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7BKW
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![BU of 7bkw by Molmil](/molmil-images/mine/7bkw) | Endothiapepsin structure obtained at 100K with fragment BTB09871 bound | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Engilberge, S, Huang, C.-Y, Smith, K.M.L, Eris, D, Marsh, M, Wang, M, Wojdyla, J.A. | Deposit date: | 2021-01-17 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Endothiapepsin structure obtained at 100K with fragment BTB09871 bound To Be Published
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6SQ5
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![BU of 6sq5 by Molmil](/molmil-images/mine/6sq5) | Crystal structure of M. tuberculosis InhA in complex with NAD+ and 3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid | Descriptor: | (~{E})-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Mendes, V, Sabbah, M, Coyne, A.G, Abell, C, Blundell, T.L. | Deposit date: | 2019-09-03 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Fragment-Based Design ofMycobacterium tuberculosisInhA Inhibitors. J.Med.Chem., 63, 2020
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5NQ8
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![BU of 5nq8 by Molmil](/molmil-images/mine/5nq8) | Crystal structure of laccases from Pycnoporus sanguineus, izoform II | Descriptor: | 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE, COPPER (II) ION, Laccase, ... | Authors: | Orlikowska, M, de J.Rostro-Alanis, M, Bujacz, A, Hernandez-Luna, C, Rubio, R, Parra, R, Bujacz, G. | Deposit date: | 2017-04-19 | Release date: | 2017-11-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural studies of two thermostable laccases from the white-rot fungus Pycnoporus sanguineus. Int. J. Biol. Macromol., 107, 2018
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7QVK
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![BU of 7qvk by Molmil](/molmil-images/mine/7qvk) | NM-02 in complex with HER2-ECD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, NM-02, Receptor tyrosine-protein kinase erbB-2, ... | Authors: | Cowan, R, Hall, G, Carr, M. | Deposit date: | 2022-01-21 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Co-crystallisation and humanisation of an anti-HER2 single-domain antibody as a theranostic tool. Plos One, 18, 2023
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3K5E
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![BU of 3k5e by Molmil](/molmil-images/mine/3k5e) | The structure of human kinesin-like motor protein Kif11/KSP/Eg5 in complex with ADP and enastrol. | Descriptor: | (4S,5R)-5-hydroxy-4-(3-hydroxyphenyl)-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ... | Authors: | Crawley, L, Cheng, R.K.Y, Wood, M, Barker, J, Felicetti, B, Whittaker, M. | Deposit date: | 2009-10-07 | Release date: | 2009-10-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | The structure of human kinesin-like motor protein Kif11/KSP/Eg5 in complex with ADP and enastrol. To be Published
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5CTY
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![BU of 5cty by Molmil](/molmil-images/mine/5cty) | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, CHLORIDE ION, ... | Authors: | Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D. | Deposit date: | 2015-07-24 | Release date: | 2016-02-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB. Bioorg.Med.Chem.Lett., 26, 2016
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7ADZ
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![BU of 7adz by Molmil](/molmil-images/mine/7adz) | Cryo-EM structure of an extracellular contractile injection system in marine bacterium Algoriphagus machipongonensis, the cap portion in extended state. | Descriptor: | Phage tail protein, Putative phage tail sheath protein FI, cap adaptor protein (Algo2), ... | Authors: | Xu, J, Ericson, C, Feldmueller, M, Lien, Y.W, Pilhofer, M. | Deposit date: | 2020-09-17 | Release date: | 2022-02-16 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Identification and structure of an extracellular contractile injection system from the marine bacterium Algoriphagus machipongonensis. Nat Microbiol, 7, 2022
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6HC3
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![BU of 6hc3 by Molmil](/molmil-images/mine/6hc3) | TFAM bound to Site-X | Descriptor: | DNA (5'-D(*TP*TP*TP*GP*GP*TP*GP*GP*AP*AP*AP*TP*TP*TP*TP*TP*TP*GP*TP*TP*AP*G)-3'), DNA/RNA (5'-D(*TP*AP*AP*CP*AP*AP*AP*AP*AP*AP*TP*TP*TP*CP*CP*AP*CP*CP*AP*AP*AP*C)-3'), L(+)-TARTARIC ACID, ... | Authors: | Fernandez-Millan, P, Cuppari, A, Tarres-Sole, A, Rubio-Cosials, A, Lyonnais, S, Sola, M. | Deposit date: | 2018-08-13 | Release date: | 2019-06-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | DNA specificities modulate the binding of human transcription factor A to mitochondrial DNA control region. Nucleic Acids Res., 47, 2019
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6G7K
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![BU of 6g7k by Molmil](/molmil-images/mine/6g7k) | Retinal isomerization in bacteriorhodopsin revealed by a femtosecond X-ray laser: 10 ps state structure | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, ... | Authors: | Nogly, P, Weinert, T, James, D, Cabajo, S, Ozerov, D, Furrer, A, Gashi, D, Borin, V, Skopintsev, P, Jaeger, K, Nass, K, Bath, P, Bosman, R, Koglin, J, Seaberg, M, Lane, T, Kekilli, D, Bruenle, S, Tanaka, T, Wu, W, Milne, C, White, T, Barty, A, Weierstall, U, Panneels, V, Nango, E, Iwata, S, Hunter, M, Schapiro, I, Schertler, G, Neutze, R, Standfuss, J. | Deposit date: | 2018-04-06 | Release date: | 2018-06-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Retinal isomerization in bacteriorhodopsin captured by a femtosecond x-ray laser. Science, 361, 2018
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7AEB
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![BU of 7aeb by Molmil](/molmil-images/mine/7aeb) | Cryo-EM structure of an extracellular contractile injection system in marine bacterium Algoriphagus machipongonensis, the baseplate complex in extended state applied 6-fold symmetry. | Descriptor: | Baseplate_J domain-containing protein, LysM domain-containing protein, Phage tail protein, ... | Authors: | Xu, J, Ericson, C, Feldmueller, M, Lien, Y.W, Pilhofer, M. | Deposit date: | 2020-09-17 | Release date: | 2022-02-16 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Identification and structure of an extracellular contractile injection system from the marine bacterium Algoriphagus machipongonensis. Nat Microbiol, 7, 2022
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