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3STU
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BU of 3stu by Molmil
Crystal Structure of tomato Methylketone Synthase I complexed with methyl-3-hydroxydodecanoate
Descriptor: DECANOIC ACID, Methylketone synthase 1, methyl (3S)-3-hydroxydodecanoate
Authors:Auldridge, M.E, Austin, M.B, Noel, J.P.
Deposit date:2011-07-11
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Emergent Decarboxylase Activity and Attenuation of alpha/beta-Hydrolase Activity during the Evolution of Methylketone Biosynthesis in Tomato.
Plant Cell, 24, 2012
3SU5
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BU of 3su5 by Molmil
Crystal structure of NS3/4A protease variant D168A in complex with vaniprevir
Descriptor: (5R,7S,10S)-10-tert-butyl-N-{(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide, NS3 protease, NS4A protein, ...
Authors:Schiffer, C.A, Romano, K.P.
Deposit date:2011-07-11
Release date:2012-09-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors.
Plos Pathog., 8, 2012
3SXH
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BU of 3sxh by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS I92AL103A at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Caro, J.A, Clark, I, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B.
Deposit date:2011-07-14
Release date:2011-07-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of Staphylococcal nuclease variant Delta+PHS I92AL103A at cryogenic temperature
To be Published
3SVE
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BU of 3sve by Molmil
Engineered low-affinity halide-binding protein derived from YFP: bromide complex
Descriptor: BROMIDE ION, Green fluorescent protein
Authors:Wang, W, Grimley, J.S, Beese, L.S, Hellinga, H.W.
Deposit date:2011-07-12
Release date:2012-07-18
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.492 Å)
Cite:Determination of engineered chloride-binding site structures in fluorescent proteins reveals principles of halide recognition
To be Published
3T0L
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BU of 3t0l by Molmil
Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, GLYCEROL, ...
Authors:Thiel, P, Ottmann, C.
Deposit date:2011-07-20
Release date:2012-12-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
3SX7
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BU of 3sx7 by Molmil
Crystal structure of ABBA+UDP+Gal with Glycerol as the cryoprotectant
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Histo-blood group ABO system transferase, ...
Authors:Johal, A.R, Evans, S.V.
Deposit date:2011-07-14
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Sequence-dependent effects of cryoprotectants on the active sites of the human ABO(H) blood group A and B glycosyltransferases.
Acta Crystallogr.,Sect.D, 68, 2012
3SXF
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BU of 3sxf by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-89
Descriptor: 1,2-ETHANEDIOL, 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ...
Authors:Larson, E.T, Merritt, E.A.
Deposit date:2011-07-14
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1.
J.Med.Chem., 55, 2012
3SYL
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BU of 3syl by Molmil
Crystal structure of the AAA+ protein CbbX, native structure
Descriptor: Protein CbbX, SULFATE ION
Authors:Mueller-Cajar, O, Stotz, M, Wendler, P, Hartl, F.U, Bracher, A, Hayer-Hartl, M.
Deposit date:2011-07-18
Release date:2011-11-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure and function of the AAA+ protein CbbX, a red-type Rubisco activase.
Nature, 479, 2011
3SZB
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BU of 3szb by Molmil
Crystal structure of human ALDH3A1 modified with the beta-elimination product of Aldi-1; 1-phenyl- 2-propen-1-one
Descriptor: 1-phenylpropan-1-one, ACETATE ION, Aldehyde dehydrogenase, ...
Authors:Khanna, M, Hurley, T.D.
Deposit date:2011-07-18
Release date:2011-11-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Discovery of a novel class of covalent inhibitor for aldehyde dehydrogenases.
J.Biol.Chem., 286, 2011
3T28
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BU of 3t28 by Molmil
TMAO-grown trypsin (bovine)-previously unreported tetragonal crystal form
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Cahn, J, Venkat, M, Saxby, S, Juers, D.
Deposit date:2011-07-22
Release date:2011-12-28
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography.
Acta Crystallogr.,Sect.D, 68, 2012
3T2I
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BU of 3t2i by Molmil
Tetragonal thermolysin in the presence of sarcosine
Descriptor: CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Cahn, J, Hti Lar Seng, N.S, Juers, D.
Deposit date:2011-07-22
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography.
Acta Crystallogr.,Sect.D, 68, 2012
3SPX
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BU of 3spx by Molmil
Crystal structure of O-Acetyl Serine Sulfhydrylase from Leishmania donovani
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, O-acetyl serine sulfhydrylase, ...
Authors:Raj, I, Gourinath, S.
Deposit date:2011-07-04
Release date:2012-07-04
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:The narrow active-site cleft of O-acetylserine sulfhydrylase from Leishmania donovani allows complex formation with serine acetyltransferases with a range of C-terminal sequences
Acta Crystallogr.,Sect.D, 68, 2012
3T2H
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BU of 3t2h by Molmil
Tetragonal thermolysin in the presence of TMAO
Descriptor: CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Cahn, J, Hti Lar Seng, N.S, Juers, D.
Deposit date:2011-07-22
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography.
Acta Crystallogr.,Sect.D, 68, 2012
3T33
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BU of 3t33 by Molmil
Crystal Structure of Arabidopsis GCR2
Descriptor: ACETATE ION, G protein coupled receptor, ZINC ION
Authors:Chen, J.-H, Guo, J, Chen, J.-G, Nair, S.K.
Deposit date:2011-07-24
Release date:2013-04-17
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of Arabidopsis GCR2 Identifies a Novel Clade of Lantibiotic Cyclase-Like Proteins
To be Published
3ST8
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BU of 3st8 by Molmil
Crystal structure of GlmU from Mycobacterium tuberculosis in complex with COENZYME A, GLUCOSAMINE 1-PHOSPHATE and URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
Descriptor: 2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, Bifunctional protein glmU, COENZYME A, ...
Authors:Jagtap, P.A, Prakash, B.
Deposit date:2011-07-09
Release date:2012-08-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure of Mycobacterium tuberculosis GlmU in complex with Acetyl CoA
to be published
3SUE
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BU of 3sue by Molmil
Crystal structure of NS3/4A protease variant R155K in complex with MK-5172
Descriptor: (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-di oxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadec ino[11,12-b]quinoxaline-8-carboxamide, NS3 protease, NS4A protein, ...
Authors:Schiffer, C.A, Romano, K.P.
Deposit date:2011-07-11
Release date:2012-09-19
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors.
Plos Pathog., 8, 2012
3SV5
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BU of 3sv5 by Molmil
Engineered medium-affinity halide-binding protein derived from YFP: iodide complex
Descriptor: 1,2-ETHANEDIOL, FORMIC ACID, Green fluorescent protein, ...
Authors:Wang, W, Grimley, J.S, Beese, L.S, Hellinga, H.W.
Deposit date:2011-07-12
Release date:2012-07-18
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Visualization of Synaptic Inhibition with an Optogenetic Sensor Developed by Cell-Free Protein Engineering Automation.
J.Neurosci., 33, 2013
3SWF
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BU of 3swf by Molmil
CNGA1 621-690 containing CLZ domain
Descriptor: ZINC ION, cGMP-gated cation channel alpha-1
Authors:Shuart, N.G, Haitin, Y, Camp, S.S, Black, K.D, Zagotta, W.N.
Deposit date:2011-07-13
Release date:2011-09-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Molecular mechanism for 3:1 subunit stoichiometry of rod cyclic nucleotide-gated ion channels.
Nat Commun, 2, 2011
3SWK
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BU of 3swk by Molmil
Crystal structure of vimentin coil1B fragment
Descriptor: Vimentin
Authors:Chernyatina, A.A, Strelkov, S.V.
Deposit date:2011-07-14
Release date:2012-08-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Atomic structure of the vimentin central alpha-helical domain and its implications for intermediate filament assembly.
Proc.Natl.Acad.Sci.USA, 109, 2012
3SX0
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BU of 3sx0 by Molmil
Crystal structure of Dot1l in complex with a brominated SAH analog
Descriptor: (2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(4-amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name), Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
Authors:Yu, W, Tempel, W, Smil, D, Schapira, M, Li, Y, Vedadi, M, Nguyen, K.T, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2011-07-14
Release date:2011-07-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Bromo-deaza-SAH: a potent and selective DOT1L inhibitor.
Bioorg. Med. Chem., 21, 2013
3T63
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BU of 3t63 by Molmil
Axial Ligand Swapping In Double Mutant Maintains Intradiol-cleavage Chemistry in Protocatechuate 3,4-Dioxygenase
Descriptor: BETA-MERCAPTOETHANOL, FE (III) ION, GLYCEROL, ...
Authors:Purpero, V.M, Lipscomb, J.D.
Deposit date:2011-07-28
Release date:2012-08-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Axial Ligand Swapping In Double Mutant Maintains Intradiol-cleavage Chemistry in Protocatechuate 3,4-Dioxygenase
To be Published
3T6O
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BU of 3t6o by Molmil
The Structure of an Anti-sigma-factor antagonist (STAS) domain protein from Planctomyces limnophilus.
Descriptor: CHLORIDE ION, Sulfate transporter/antisigma-factor antagonist STAS
Authors:Cuff, M.E, Moser, C, Hatzos-Skintges, C, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-07-28
Release date:2011-09-07
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Structure of an Anti-sigma-factor antagonist (STAS) domain protein from Planctomyces limnophilus.
TO BE PUBLISHED
3SXA
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BU of 3sxa by Molmil
Crystal structure of ABBB+UDP+Gal with Glycerol as the cryoprotectant
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Histo-blood group ABO system transferase, ...
Authors:Johal, A.R, Evans, S.V.
Deposit date:2011-07-14
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Sequence-dependent effects of cryoprotectants on the active sites of the human ABO(H) blood group A and B glycosyltransferases.
Acta Crystallogr.,Sect.D, 68, 2012
3SXG
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BU of 3sxg by Molmil
Crystal structure of AAAA+UDP+Gal with MPD as the cryoprotectant
Descriptor: DI(HYDROXYETHYL)ETHER, Histo-blood group ABO system transferase, MANGANESE (II) ION, ...
Authors:Johal, A.R, Evans, S.V.
Deposit date:2011-07-14
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Sequence-dependent effects of cryoprotectants on the active sites of the human ABO(H) blood group A and B glycosyltransferases.
Acta Crystallogr.,Sect.D, 68, 2012
3SOL
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BU of 3sol by Molmil
Crystal structure of the type 2 secretion system pilotin GspS
Descriptor: CHLORIDE ION, Type II secretion pathway related protein
Authors:Korotkov, K.V, Hol, W.G.J.
Deposit date:2011-06-30
Release date:2011-07-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the pilotin from the enterohemorrhagic Escherichia coli type II secretion system.
J.Struct.Biol., 182, 2013

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