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3UXE
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Design, Synthesis and Biological Evaluation of Potent Quinoline and Pyrroloquinoline Ammosamide Analogues as Inhibitors for Quinone Reductase 2
Descriptor: 8-amino-7-chloro-1-methyl-6-(methylideneamino)-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinoline-4-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Reddy, N.P, Jensen, K.C, Mesecar, A.D, Fanwick, P.E, Cushman, M.
Deposit date:2011-12-05
Release date:2012-01-18
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Design, synthesis, and biological evaluation of potent quinoline and pyrroloquinoline ammosamide analogues as inhibitors of quinone reductase 2.
J.Med.Chem., 55, 2012
3UZV
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BU of 3uzv by Molmil
Crystal structure of the dengue virus serotype 2 envelope protein domain III in complex with the variable domains of Mab 4E11
Descriptor: ETHANOL, anti-dengue Mab 4E11, envelope protein
Authors:Cockburn, J.J.B, Navarro Sanchez, M.E, Fretes, N, Urvoas, A, Staropoli, I, Kikuti, C.M, Coffey, L.L, Arenzana Seisdedos, F, Bedouelle, H, Rey, F.A.
Deposit date:2011-12-07
Release date:2012-02-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mechanism of dengue virus broad cross-neutralization by a monoclonal antibody.
Structure, 20, 2012
3HE4
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BU of 3he4 by Molmil
Heterospecific coiled-coil pair SYNZIP5:SYNZIP6
Descriptor: SYNZIP5, SYNZIP6
Authors:Reinke, A.W, Grant, R.A, Keating, A.E.
Deposit date:2009-05-07
Release date:2010-03-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:A synthetic coiled-coil interactome provides heterospecific modules for molecular engineering.
J.Am.Chem.Soc., 132, 2010
4OVS
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BU of 4ovs by Molmil
CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM SULFUROSPIRILLUM DELEYIANUM DSM 6946 (Sdel_0447), TARGET EFI-510309, WITH BOUND SUCCINATE
Descriptor: CHLORIDE ION, SUCCINIC ACID, TRAP dicarboxylate transporter, ...
Authors:Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-12-13
Release date:2014-01-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
3HFZ
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BU of 3hfz by Molmil
Crystal structure of Thermus thermophilus Phenylalanyl-tRNA synthetase complexed with m-tyrosine
Descriptor: META-TYROSINE, Phenylalanyl-tRNA synthetase alpha chain, Phenylalanyl-tRNA synthetase beta chain
Authors:Klipcan, L, Moor, N, Kessler, N, Safro, M.G.
Deposit date:2009-05-13
Release date:2009-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Eukaryotic cytosolic and mitochondrial phenylalanyl-tRNA synthetases catalyze the charging of tRNA with the meta-tyrosine
Proc.Natl.Acad.Sci.USA, 106, 2009
3V2M
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BU of 3v2m by Molmil
Effect of Sucrose and Glycerol as Cryoprotectans, on the Inhibition of Human Carbonic Anhydrase II
Descriptor: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Aggarwal, M, McKenna, A.
Deposit date:2011-12-12
Release date:2012-12-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.471 Å)
Cite:Effect of Sucrose and Glycerol as Cryoprotectans, on the Inhibition of Human Carbonic Anhydrase II
To be Published
3HEM
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BU of 3hem by Molmil
Structure of Mycobacterium tuberculosis Mycolic Acid Cyclopropane Synthase CmaA2 in Complex with Dioctylamine
Descriptor: CARBONATE ION, Cyclopropane-fatty-acyl-phospholipid synthase 2, N-octyloctan-1-amine
Authors:Liu, Z, Sacchettini, J.C.
Deposit date:2009-05-09
Release date:2009-06-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structure of Mycobacterium tuberculosis Mycolic Acid Cyclopropane Synthase CmaA2 in Complex with Dioctylamine
TO BE PUBLISHED
3HJ0
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BU of 3hj0 by Molmil
Transthyretin in complex with a covalent small molecule kinetic stabilizer
Descriptor: 4-fluorophenyl 3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoate, Transthyretin
Authors:Connelly, S, Wilson, I.A, Kelly, J.W.
Deposit date:2009-05-20
Release date:2009-12-22
Last modified:2014-11-19
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Chemoselective small molecules that covalently modify one lysine in a non-enzyme protein in plasma.
Nat.Chem.Biol., 6, 2010
3HFQ
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BU of 3hfq by Molmil
Crystal structure of the lp_2219 protein from Lactobacillus plantarum. Northeast Structural Genomics Consortium Target LpR118.
Descriptor: PHOSPHATE ION, uncharacterized protein lp_2219
Authors:Vorobiev, S.M, Scott, L, Schauder, C, Xiao, R, Ciccosanti, C, Foote, E.L, Maglaqui, M, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-05-12
Release date:2009-05-26
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (1.963 Å)
Cite:Crystal structure of the lp_2219 protein from Lactobacillus plantarum.
To be Published
3UGM
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BU of 3ugm by Molmil
Structure of TAL effector PthXo1 bound to its DNA target
Descriptor: DNA-1, DNA-2, TAL effector AvrBs3/PthA
Authors:Mak, A.N.S, Bradley, P, Cernadas, R.A, Bogdanove, A.J, Stoddard, B.L.
Deposit date:2011-11-02
Release date:2012-01-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:The Crystal Structure of TAL Effector PthXo1 Bound to Its DNA Target.
Science, 335, 2012
3ULB
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BU of 3ulb by Molmil
Crystal structure of the pleckstrin homology domain of Saccharomyces cerevisiae Avo1, a TORC2 subunit, in the P212121 crystal form
Descriptor: Target of rapamycin complex 2 subunit AVO1
Authors:Pan, D, Matsuura, Y.
Deposit date:2011-11-10
Release date:2012-04-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of the pleckstrin homology domain of Saccharomyces cerevisiae Avo1 and its human orthologue Sin1, an essential subunit of TOR complex 2
Acta Crystallogr.,Sect.F, 68, 2012
3UKJ
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BU of 3ukj by Molmil
Crystal structure of extracellular ligand-binding receptor from Rhodopseudomonas palustris HaA2
Descriptor: 3-(4-HYDROXY-PHENYL)PYRUVIC ACID, Extracellular ligand-binding receptor, GLYCEROL, ...
Authors:Chang, C, Mack, J, Zerbs, S, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-11-09
Release date:2011-11-23
Last modified:2013-09-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and functional characterization of solute binding proteins for aromatic compounds derived from lignin: p-Coumaric acid and related aromatic acids.
Proteins, 81, 2013
4OEM
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BU of 4oem by Molmil
Crystal structure of Cathepsin C in complex with dipeptide substrates
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Zhao, B, Smallwood, A, Concha, N.
Deposit date:2014-01-13
Release date:2015-03-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:The amino-acid substituents of dipeptide substrates of cathepsin C can determine the rate-limiting steps of catalysis.
Biochemistry, 51, 2012
3HK1
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BU of 3hk1 by Molmil
Identification and Characterization of a Small Molecule Inhibitor of Fatty Acid Binding Proteins
Descriptor: 4-{[2-(methoxycarbonyl)-5-(2-thienyl)-3-thienyl]amino}-4-oxo-2-butenoic acid, Fatty acid-binding protein, adipocyte
Authors:Hertzel, A.V, Hellberg, K, Reynolds, J.M, Kruse, A.C, Juhlmann, B.E, Smith, A.J, Sanders, M.A, Ohlendorf, D.H, Suttles, J, Bernlohr, D.A.
Deposit date:2009-05-22
Release date:2009-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Identification and characterization of a small molecule inhibitor of Fatty Acid binding proteins.
J.Med.Chem., 52, 2009
3HFC
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BU of 3hfc by Molmil
A trimeric form of the Kv7.1 A domain Tail, L602M/L606M mutant Semet
Descriptor: Potassium voltage-gated channel subfamily KQT member 1
Authors:Xu, Q, Minor, D.L.
Deposit date:2009-05-11
Release date:2009-09-01
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structure of a trimeric form of the K(V)7.1 (KCNQ1) A-domain tail coiled-coil reveals structural plasticity and context dependent changes in a putative coiled-coil trimerization motif.
Protein Sci., 18, 2009
4OM8
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BU of 4om8 by Molmil
Crystal structure of 5-formly-3-hydroxy-2-methylpyridine 4-carboxylic acid (FHMPC) 5-dehydrogenase, an NAD+ dependent dismutase.
Descriptor: 3-hydroxybutyryl-coA dehydrogenase, ACETATE ION, BETA-MERCAPTOETHANOL, ...
Authors:Mugo, A.N, Kobayashi, J, Mikami, B, Yagi, T, Ohnishi, K.
Deposit date:2014-01-27
Release date:2015-01-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of 5-formyl-3-hydroxy-2-methylpyridine 4-carboxylic acid 5-dehydrogenase, an NAD(+)-dependent dismutase from Mesorhizobium loti
Biochem.Biophys.Res.Commun., 456, 2015
3UY6
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BU of 3uy6 by Molmil
BlaR1 sensor domain from Staphylococcus aureus with N439V mutation
Descriptor: GLYCEROL, Regulatory protein BlaR1, SULFATE ION
Authors:Baker, B.M, Borbulevych, O.Y.
Deposit date:2011-12-05
Release date:2012-02-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An amino acid position at crossroads of evolution of protein function: antibiotic sensor domain of BlaR1 protein from Staphylococcus aureus versus clasS D beta-lactamases
J.Biol.Chem., 287, 2012
3V2J
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BU of 3v2j by Molmil
Effect of Sucrose and Glycerol as Cryoprotectans, on the Inhibition of Human Carbonic Anhydrase II
Descriptor: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, ZINC ION
Authors:Aggarwal, M, McKenna, A.
Deposit date:2011-12-12
Release date:2012-12-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Effect of Sucrose and Glycerol as Cryoprotectans, on the Inhibition of Human Carbonic Anhydrase II
To be Published
3V2P
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BU of 3v2p by Molmil
COMPcc in complex with fatty acids
Descriptor: Cartilage Oligomerization matrix protein (coiled-coil domain), STEARIC ACID
Authors:Stetefeld, J.
Deposit date:2011-12-12
Release date:2013-01-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.873 Å)
Cite:The pentameric channel of COMPcc in complex with different fatty acids.
Plos One, 7, 2012
3HK2
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BU of 3hk2 by Molmil
Crystal structure of T. thermophilus Argonaute N478 mutant protein complexed with DNA guide strand and 19-nt RNA target strand
Descriptor: 5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*TP*AP*TP*AP*GP*T)-3', 5'-R(*UP*AP*UP*AP*CP*AP*AP*CP*CP*UP*AP*CP*UP*AP*CP*CP*UP*CP*G)-3', Argonaute, ...
Authors:Wang, Y, Li, H, Sheng, G, Patel, D.J.
Deposit date:2009-05-22
Release date:2009-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Nucleation, propagation and cleavage of target RNAs in Ago silencing complexes.
Nature, 461, 2009
3HJL
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BU of 3hjl by Molmil
The structure of full-length FliG from Aquifex aeolicus
Descriptor: Flagellar motor switch protein fliG
Authors:Lee, L.K, Ginsburg, M.A, Crovace, C, Donohoe, M, Stock, D.
Deposit date:2009-05-22
Release date:2010-08-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the torque ring of the flagellar motor and the molecular basis for rotational switching
Nature, 466, 2010
3HRF
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BU of 3hrf by Molmil
Crystal structure of Human PDK1 kinase domain in complex with an allosteric activator bound to the PIF-pocket
Descriptor: (2Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acid, 3-phosphoinositide-dependent protein kinase 1, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Hindie, V, Alzari, P.M, Biondi, R.M.
Deposit date:2009-06-09
Release date:2009-09-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and allosteric effects of low-molecular-weight activators on the protein kinase PDK1.
Nat.Chem.Biol., 5, 2009
4W2H
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BU of 4w2h by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with pactamycin (co-crystallized), mRNA and deacylated tRNA in the P site
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S10, ...
Authors:Polikanov, Y.S, Osterman, I.A, Szal, T, Tashlitsky, V.N, Serebryakova, M.V, Kusochek, P, Bulkley, D, Malanicheva, I.A, Efimenko, T.A, Efremenkova, O.V, Konevega, A.L, Shaw, K.J, Bogdanov, A.A, Rodnina, M.V, Dontsova, O.A, Mankin, A.S, Steitz, T.A, Sergiev, P.V.
Deposit date:2014-09-12
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Amicoumacin a inhibits translation by stabilizing mRNA interaction with the ribosome.
Mol.Cell, 56, 2014
4W2I
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BU of 4w2i by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with negamycin, mRNA and three deacylated tRNAs in the A, P and E sites
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S10, ...
Authors:Polikanov, Y.S, Szal, T, Jiang, F, Gupta, P, Matsuda, R, Shiozuka, M, Steitz, T.A, Vazquez-Laslop, N, Mankin, A.S.
Deposit date:2014-09-12
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Negamycin Interferes with Decoding and Translocation by Simultaneous Interaction with rRNA and tRNA.
Mol.Cell, 56, 2014
4V6B
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BU of 4v6b by Molmil
Crystal structure of human ferritin Phe167SerfsX26 mutant.
Descriptor: CALCIUM ION, Ferritin
Authors:Hurley, T.D, Vidal, R.
Deposit date:2009-06-19
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Unraveling of the E-helices and disruption of 4-fold pores are associated with iron mishandling in a mutant ferritin causing neurodegeneration
J.Biol.Chem., 285, 2010

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