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6TTE
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BU of 6tte by Molmil
Beta-galactosidase in complex with PETG
Descriptor: 2-phenylethyl 1-thio-beta-D-galactopyranoside, Beta-galactosidase, MAGNESIUM ION
Authors:Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A.
Deposit date:2019-12-27
Release date:2020-01-15
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Fragment-based drug discovery using cryo-EM.
Drug Discov Today, 25, 2020
5XK9
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BU of 5xk9 by Molmil
Crystal structure of Isosesquilavandulyl Diphosphate Synthase from Streptomyces sp. strain CNH-189 in complex with GSPP and DMAPP
Descriptor: DIMETHYLALLYL DIPHOSPHATE, GERANYL S-THIOLODIPHOSPHATE, MAGNESIUM ION, ...
Authors:Ko, T.P, Guo, R.T, Liu, W, Chen, C.C, Gao, J.
Deposit date:2017-05-05
Release date:2018-01-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.137 Å)
Cite:"Head-to-Middle" and "Head-to-Tail" cis-Prenyl Transferases: Structure of Isosesquilavandulyl Diphosphate Synthase.
Angew. Chem. Int. Ed. Engl., 57, 2018
6L90
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BU of 6l90 by Molmil
Crystal structure of ugt transferase enzyme
Descriptor: Glycosyltransferase, SULFATE ION
Authors:Li, J, Shan, N, Yang, J.G, Liu, W.D, Sun, Y.X.
Deposit date:2019-11-07
Release date:2020-04-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Efficient O-Glycosylation of Triterpenes Enabled by Protein Engineering of Plant Glycosyltransferase UGT74AC1
Acs Catalysis, 2020
4D4R
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BU of 4d4r by Molmil
Focal Adhesion Kinase catalytic domain
Descriptor: FOCAL ADHESION KINASE 1, SULFATE ION
Authors:Le Coq, J, Lin, A, Lietha, D.
Deposit date:2014-10-31
Release date:2015-02-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Allosteric Regulation of Focal Adhesion Kinase by Pip2 and ATP.
Biophys.J., 108, 2015
6TK2
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BU of 6tk2 by Molmil
Femtosecond to millisecond structural changes in a light-driven sodium pump: 1ms structure of KR2 with extrapolated, light and dark datasets
Descriptor: EICOSANE, RETINAL, SODIUM ION, ...
Authors:Skopintsev, P, Ehrenberg, D, Weinert, T, James, D, Kar, R, Johnson, P, Ozerov, D, Furrer, A, Martiel, I, Dworkowski, F, Nass, K, Knopp, G, Cirelli, C, Gashi, D, Mous, S, Wranik, M, Gruhl, T, Kekilli, D, Bruenle, S, Deupi, X, Schertler, G.F.X, Benoit, R, Panneels, V, Nogly, P, Schapiro, I, Milne, C, Heberle, J, Standfuss, J.
Deposit date:2019-11-28
Release date:2020-05-27
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Femtosecond-to-millisecond structural changes in a light-driven sodium pump.
Nature, 583, 2020
4D7S
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BU of 4d7s by Molmil
Structure of the SthK Carboxy-Terminal Region in complex with cGMP
Descriptor: CYCLIC GUANOSINE MONOPHOSPHATE, STHK_CNBD_CGMP
Authors:Kesters, D, Brams, M, Nys, M, Wijckmans, E, Spurny, R, Voets, T, Tytgat, J, Ulens, C.
Deposit date:2014-11-27
Release date:2015-02-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure of the SthK Carboxy-Terminal Region Reveals a Gating Mechanism for Cyclic Nucleotide-Modulated Ion Channels.
Plos One, 10, 2015
6F8B
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BU of 6f8b by Molmil
LasB bound to thiol based inhibitor
Descriptor: CALCIUM ION, Elastase, ZINC ION, ...
Authors:Koehnke, J, Sikandar, A.
Deposit date:2017-12-12
Release date:2018-03-28
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Binding Mode Characterization and Early in Vivo Evaluation of Fragment-Like Thiols as Inhibitors of the Virulence Factor LasB from Pseudomonas aeruginosa.
ACS Infect Dis, 4, 2018
4D58
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BU of 4d58 by Molmil
Focal Adhesion Kinase catalytic domain in complex with bis-anilino pyrimidine inhibitor
Descriptor: 2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-N-METHYLBENZAMIDE, FOCAL ADHESION KINASE, SULFATE ION
Authors:Le Coq, J, Lin, A, Lietha, D.
Deposit date:2014-11-03
Release date:2015-02-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Allosteric Regulation of Focal Adhesion Kinase by Pip2 and ATP.
Biophys.J., 108, 2015
5XWG
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BU of 5xwg by Molmil
Crystal structure of a novel RNA motif that allows for precise positioning of a metal ion
Descriptor: RNA (5'-R(P*CP*GP*CP*UP*(5BU)P*CP*GP*AP*AP*AP*AP*AP*GP*UP*C)-3'), STRONTIUM ION
Authors:Kanazawa, H, Kondo, J.
Deposit date:2017-06-29
Release date:2017-10-11
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.002 Å)
Cite:Crystal structure of a novel RNA motif that allows for precise positioning of a single metal ion.
J. Inorg. Biochem., 176, 2017
4UUX
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BU of 4uux by Molmil
Competence or damage-inducible protein CinA from Thermus thermophilus
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, CINA, MAGNESIUM ION, ...
Authors:Derrick, J, Karuppiah, V.
Deposit date:2014-07-31
Release date:2014-10-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structure and Mechanism of the Bifunctional Cina Enzyme from Thermus Thermophilus
J.Biol.Chem., 289, 2014
8RZ6
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BU of 8rz6 by Molmil
SeMet derivative structure of the condensation domain TomBC from the Tomaymycin non-ribosomal peptide synthetase
Descriptor: FORMIC ACID, GLYCEROL, POTASSIUM ION, ...
Authors:Karanth, M, Schmelz, S, Kirkpatrick, J, Krausze, J, Scrima, A, Carlomagno, T.
Deposit date:2024-02-12
Release date:2024-06-26
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The specificity of intermodular recognition in a prototypical nonribosomal peptide synthetase depends on an adaptor domain.
Sci Adv, 10, 2024
5XNC
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BU of 5xnc by Molmil
Crystal structure of the branched-chain polyamine synthase (BpsA) in complex with N4-aminopropylspermidine and 5-methylthioadenosine
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, DI(HYDROXYETHYL)ETHER, ...
Authors:Mizohata, E, Tse, K.M, Fujita, J, Inoue, T.
Deposit date:2017-05-22
Release date:2018-08-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Active site geometry of a novel aminopropyltransferase for biosynthesis of hyperthermophile-specific branched-chain polyamine.
FEBS J., 284, 2017
5XGD
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BU of 5xgd by Molmil
Crystal structure of the PAS-GGDEF-EAL domain of PA0861 from Pseudomonas aeruginosa in complex with GTP
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Uncharacterized protein PA0861
Authors:Liu, C, Liew, C.W, Sreekanth, R, Lescar, J.
Deposit date:2017-04-13
Release date:2017-12-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Insights into Biofilm Dispersal Regulation from the Crystal Structure of the PAS-GGDEF-EAL Region of RbdA from Pseudomonas aeruginosa.
J. Bacteriol., 200, 2018
1TRR
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BU of 1trr by Molmil
TANDEM BINDING IN CRYSTALS OF A TRP REPRESSOR/OPERATOR HALF-SITE COMPLEX
Descriptor: DNA (5'-D(*AP*GP*CP*GP*TP*AP*CP*TP*AP*GP*TP*AP*CP*GP*CP*T)-3'), PROTEIN (TRP REPRESSOR), TRYPTOPHAN
Authors:Lawson, C.L, Carey, J.
Deposit date:1993-10-21
Release date:1993-10-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Tandem binding in crystals of a trp repressor/operator half-site complex.
Nature, 366, 1993
4D4V
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BU of 4d4v by Molmil
Focal Adhesion Kinase catalytic domain
Descriptor: 6-methyl-4-(piperazin-1-yl)-2-(trifluoromethyl)quinoline, DIMETHYL SULFOXIDE, FOCAL ADHESION KINASE, ...
Authors:Le Coq, J, Lin, A, Lietha, D.
Deposit date:2014-10-31
Release date:2015-02-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Allosteric Regulation of Focal Adhesion Kinase by Pip2 and ATP.
Biophys.J., 108, 2015
6T7L
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BU of 6t7l by Molmil
Crystal structure of AmpC from E.coli with Nacubactam (OP0595)
Descriptor: (2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase, ...
Authors:Lang, P.A, Leissing, T.M, Schofield, C.J, Brem, J.
Deposit date:2019-10-22
Release date:2020-11-18
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structural Investigations of the Inhibition of Escherichia coli AmpC beta-Lactamase by Diazabicyclooctanes.
Antimicrob.Agents Chemother., 65, 2021
4D4Y
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BU of 4d4y by Molmil
Focal Adhesion Kinase catalytic domain
Descriptor: DIMETHYL SULFOXIDE, FOCAL ADHESION KINASE 1, SULFATE ION
Authors:Le Coq, J, Lin, A, Lietha, D.
Deposit date:2014-10-31
Release date:2015-02-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Allosteric Regulation of Focal Adhesion Kinase by Pip2 and ATP.
Biophys.J., 108, 2015
5XRL
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BU of 5xrl by Molmil
Galectin-10/Charcot-Leyden crystal protein variant N65A crystal structure
Descriptor: GLYCEROL, Galectin-10
Authors:Su, J.
Deposit date:2017-06-08
Release date:2018-01-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.004 Å)
Cite:Galectin-10: a new structural type of prototype galectin dimer and effects on saccharide ligand binding.
Glycobiology, 28, 2018
1U6B
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BU of 1u6b by Molmil
CRYSTAL STRUCTURE OF A SELF-SPLICING GROUP I INTRON WITH BOTH EXONS
Descriptor: 197-MER, 5'-R(*AP*AP*GP*CP*CP*AP*CP*AP*CP*AP*AP*AP*CP*CP*AP*GP*AP*CP*GP *GP*CP*C)-3', 5'-R(*CP*AP*(5MU))-3', ...
Authors:Adams, P.L, Stahley, M.R, Kosek, A.B, Wang, J, Strobel, S.A.
Deposit date:2004-07-29
Release date:2004-08-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal Structure of a Self-Splicing Group I Intron with Both Exons.
Nature, 430, 2004
6F2S
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BU of 6f2s by Molmil
CryoEM structure of Ageratum Yellow Vein virus (AYVV)
Descriptor: Capsid protein, coat protein subunit H, coat protein subunit I, ...
Authors:Hesketh, E.L, Saunders, K, Fisher, C, Potze, J, Stanley, J, Lomonossoff, G.P, Ranson, N.A.
Deposit date:2017-11-27
Release date:2018-06-27
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:The 3.3 angstrom structure of a plant geminivirus using cryo-EM.
Nat Commun, 9, 2018
6TSK
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BU of 6tsk by Molmil
Beta-galactosidase in complex with L-ribose
Descriptor: Beta-galactosidase, MAGNESIUM ION, beta-L-ribopyranose
Authors:Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A.
Deposit date:2019-12-20
Release date:2020-01-08
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Fragment-based drug discovery using cryo-EM.
Drug Discov Today, 25, 2020
6T35
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BU of 6t35 by Molmil
Crystal structure of AmpC from E.coli with Enmetazobactam (AAI-101)
Descriptor: Beta-lactamase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Lang, P.A, Leissing, T.M, Schofield, C.J, Brem, J.
Deposit date:2019-10-10
Release date:2020-11-18
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Studies on enmetazobactam clarify mechanisms of widely used beta-lactamase inhibitors.
Proc.Natl.Acad.Sci.USA, 119, 2022
5XK7
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BU of 5xk7 by Molmil
Crystal structure of Isosesquilavandulyl Diphosphate Synthase from Streptomyces sp. strain CNH-189 in complex with DMAPP
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYLALLYL DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Ko, T.P, Guo, R.T, Liu, W, Chen, C.C, Gao, J.
Deposit date:2017-05-05
Release date:2018-01-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.911 Å)
Cite:"Head-to-Middle" and "Head-to-Tail" cis-Prenyl Transferases: Structure of Isosesquilavandulyl Diphosphate Synthase.
Angew. Chem. Int. Ed. Engl., 57, 2018
5XKJ
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BU of 5xkj by Molmil
Crystal structure of plant receptor ERL1-TMM in complexe with EPF2
Descriptor: LRR receptor-like serine/threonine-protein kinase ERL1, Protein EPIDERMAL PATTERNING FACTOR 2, Protein TOO MANY MOUTHS
Authors:Chai, J, Lin, G.
Deposit date:2017-05-07
Release date:2019-01-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.475 Å)
Cite:A receptor-like protein acts as a specificity switch for the regulation of stomatal development.
Genes Dev., 31, 2017
4D26
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BU of 4d26 by Molmil
Crystal structure of the Bombyx mori Vasa helicase (E339Q) in complex with RNA,ADP and Pi
Descriptor: 5'-R(*UP*GP*AP*CP*AP*UP)-3', ADENOSINE-5'-DIPHOSPHATE, BMVLG PROTEIN, ...
Authors:Spinelli, P, Pillai, R.S, Kadlec, J, Cusack, S.
Deposit date:2014-05-07
Release date:2014-06-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:RNA Clamping by Vasa Assembles a Pirna Amplifier Complex on Transposon Transcripts.
Cell(Cambridge,Mass.), 157, 2014

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