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6CC0
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BU of 6cc0 by Molmil
Crystal structure of QscR bound to C12-homoserine lactone
分子名称: LuxR family transcriptional regulator, N-[(3S)-2-oxooxolan-3-yl]dodecanamide
著者Churchill, M.E.A, Wysoczynski-Horita, C.L.
登録日2018-02-05
公開日2018-02-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Mechanism of agonism and antagonism of the Pseudomonas aeruginosa quorum sensing regulator QscR with non-native ligands.
Mol. Microbiol., 108, 2018
2NVL
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BU of 2nvl by Molmil
Crystal structure of archaeal peroxiredoxin, thioredoxin peroxidase from Aeropyrum pernix K1 (sulfonic acid form)
分子名称: Probable peroxiredoxin
著者Nakamura, T, Yamamoto, T, Abe, M, Matsumura, H, Hagihara, Y, Goto, T, Yamaguchi, T, Inoue, T.
登録日2006-11-13
公開日2007-11-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Oxidation of archaeal peroxiredoxin involves a hypervalent sulfur intermediate
Proc.Natl.Acad.Sci.Usa, 105, 2008
4WR8
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BU of 4wr8 by Molmil
Macrophage Migration Inhibitory Factor in complex with a biaryltriazole inhibitor (3b-180)
分子名称: 4-[4-(quinolin-2-yl)-1H-1,2,3-triazol-1-yl]phenol, Macrophage migration inhibitory factor, SODIUM ION, ...
著者Robertson, M.J, Baxter, R.H.G, Jorgensen, W.L.
登録日2014-10-23
公開日2015-03-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Design, synthesis, and protein crystallography of biaryltriazoles as potent tautomerase inhibitors of macrophage migration inhibitory factor.
J.Am.Chem.Soc., 137, 2015
5VKU
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BU of 5vku by Molmil
An atomic structure of the human cytomegalovirus (HCMV) capsid with its securing layer of pp150 tegument protein
分子名称: Major capsid protein, Small capsomere-interacting protein, Tegument protein pp150, ...
著者Yu, X, Jih, J, Jiang, J, Zhou, H.
登録日2017-04-24
公開日2017-06-28
最終更新日2019-11-27
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Atomic structure of the human cytomegalovirus capsid with its securing tegument layer of pp150.
Science, 356, 2017
6CCN
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BU of 6ccn by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-2,4-dihydroxy-N-(2-(4-hydroxy-1H-benzo[d]imidazol-2-yl)ethyl)-3,3-dimethylbutanamide
分子名称: (2R)-2,4-dihydroxy-N-[2-(7-hydroxy-1H-benzimidazol-2-yl)ethyl]-3,3-dimethylbutanamide, Phosphopantetheine adenylyltransferase, SULFATE ION
著者Mamo, M, Appleton, B.A.
登録日2018-02-07
公開日2018-03-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
4X0O
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BU of 4x0o by Molmil
Beta-ketoacyl-(acyl carrier protein) synthase III-2 (FabH2) from Vibrio cholerae soaked with Acetyl-CoA
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2, COENZYME A, MALONATE ION, ...
著者Hou, J, Chruszcz, M, Zheng, H, Cooper, D.R, Chordia, M.D, Zimmerman, M.D, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-11-21
公開日2014-12-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and enzymatic studies of beta-ketoacyl-(acyl carrier protein) synthase III (FabH) from Vibrio cholerae
to be published
5VQR
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BU of 5vqr by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)-N-methylacrylamide (JLJ684), a Non-nucleoside Inhibitor
分子名称: N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylprop-2-enamide, Reverse transcriptase/ribonuclease H, SULFATE ION, ...
著者Chan, A.H, Anderson, K.S.
登録日2017-05-09
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4X2B
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BU of 4x2b by Molmil
K20A RNA dependent RNA polymerase mutant from Foot-and-Mouth disease Virus complexed with an RNA
分子名称: MAGNESIUM ION, RNA dependent RNA polymerase, RNA primer, ...
著者Verdaguer, N, Ferrer-Orta, C.
登録日2014-11-26
公開日2015-05-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Multifunctionality of a picornavirus polymerase domain: nuclear localization signal and nucleotide recognition.
J.Virol., 89, 2015
2NZI
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BU of 2nzi by Molmil
Crystal structure of domains A168-A170 from titin
分子名称: Titin
著者Mrosek, M.C, Labeit, D, Labeit, S, Mayans, O.
登録日2006-11-23
公開日2007-02-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Molecular determinants for the recruitment of the ubiquitin-ligase MuRF-1 onto M-line titin.
Faseb J., 21, 2007
6CUA
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BU of 6cua by Molmil
Structure of human DNA polymerase beta complexed with 8-ClG in the template base paired with incoming non-hydrolyzable GTP and MANGANESE
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*CP*CP*GP*AP*CP*(CGM)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), ...
著者Koag, M.-C, Lee, S.
登録日2018-03-24
公開日2019-03-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Structure of human DNA polymerase beta complexed with 8-ClG in the template base paired with incoming non-hydrolyzable GTP and MANGANESE
To Be Published
6CV6
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BU of 6cv6 by Molmil
Crystal structure of 3-dehydroquinate dehydratase, type II, from Burkholderia phymatum STM815
分子名称: 3-dehydroquinate dehydratase, CHLORIDE ION, D(-)-TARTARIC ACID, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-03-27
公開日2018-04-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of 3-dehydroquinate dehydratase, type II, from Burkholderia phymatum STM815
to be published
4X3R
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BU of 4x3r by Molmil
Avi-GCPII structure in complex with FITC-conjugated GCPII-specific inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Tykvart, J, Konvalinka, J.
登録日2014-12-01
公開日2015-10-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Design of highly potent urea-based, exosite-binding inhibitors selective for glutamate carboxypeptidase II.
J.Med.Chem., 58, 2015
4X4F
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BU of 4x4f by Molmil
RADIATION DAMAGE TO THE NUCLEOPROTEIN COMPLEX C.Esp1396I: DOSE (DWD) 20.6 MGy
分子名称: 35-MER DNA, Regulatory protein
著者Bury, C.S, McGeehan, J.E, Garman, E.F.
登録日2014-12-02
公開日2015-03-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Radiation damage to nucleoprotein complexes in macromolecular crystallography.
J.Synchrotron Radiat., 22, 2015
4WSA
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BU of 4wsa by Molmil
Crystal structure of Influenza B polymerase bound to the vRNA promoter (FluB1 form)
分子名称: Influenza B vRNA promoter 3' end, Influenza B vRNA promoter 5' end, PA, ...
著者Reich, S, Guilligay, D, Pflug, A, Cusack, S.
登録日2014-10-26
公開日2014-11-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structural insight into cap-snatching and RNA synthesis by influenza polymerase.
Nature, 516, 2014
4X4M
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BU of 4x4m by Molmil
Structure of FcgammaRI in complex with Fc reveals the importance of glycan recognition for high affinity IgG binding
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Lu, J, Sun, P.D.
登録日2014-12-03
公開日2015-04-08
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.485 Å)
主引用文献Structure of Fc gamma RI in complex with Fc reveals the importance of glycan recognition for high-affinity IgG binding.
Proc.Natl.Acad.Sci.USA, 112, 2015
2NUY
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BU of 2nuy by Molmil
2-keto-3-deoxygluconate aldolase from Sulfolobus acidocaldarius in complex with pyruvate
分子名称: 2-keto-3-deoxygluconate/2-keto-3-deoxy-6-phospho gluconate aldolase, MAGNESIUM ION, PYRUVIC ACID
著者van Eerde, A, Dijkstra, B.W.
登録日2006-11-10
公開日2007-04-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Biochemical and structural exploration of the catalytic capacity of Sulfolobus KDG aldolases
Biochem.J., 403, 2007
2O24
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BU of 2o24 by Molmil
Spectroscopic and Structural Study of the Heterotropic Linkage between Halide and Proton Ion Binding to Gfp Proteins: E2(GFP)-Cl Complex
分子名称: CHLORIDE ION, Green fluorescent protein
著者Garau, G.
登録日2006-11-29
公開日2007-05-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Spectroscopic and Structural Study of Proton and Halide Ion Cooperative Binding to GFP.
Biophys.J., 93, 2007
5VF3
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BU of 5vf3 by Molmil
Bacteriophage T4 isometric capsid
分子名称: Capsid vertex protein gp24, Highly immunogenic outer capsid protein, Major capsid protein, ...
著者Chen, Z, Sun, L, Zhang, Z, Fokine, A, Padilla-Sanchez, V, Hanein, D, Jiang, W, Rossmann, M.G, Rao, V.B.
登録日2017-04-06
公開日2017-09-13
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structure of the bacteriophage T4 isometric head at 3.3- angstrom resolution and its relevance to the assembly of icosahedral viruses.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
2O29
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BU of 2o29 by Molmil
Spectroscopic and Structural Study of the Heterotropic Linkage between Halide and Proton Ion Binding to Gfp Proteins: E2(GFP)-BR Complex
分子名称: BROMIDE ION, Green fluorescent protein
著者Garau, G.
登録日2006-11-29
公開日2007-05-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Spectroscopic and Structural Study of Proton and Halide Ion Cooperative Binding to GFP.
Biophys.J., 93, 2007
5VV3
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BU of 5vv3 by Molmil
Structure of human neuronal nitric oxide synthase heme domain in complex with 4-(2-(((2-Aminoquinolin-7-yl)methyl)amino)ethyl)benzonitrile
分子名称: 4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2017-05-19
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors.
J. Med. Chem., 60, 2017
6CWX
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BU of 6cwx by Molmil
Crystal structure of human ribonuclease P/MRP proteins Rpp20/Rpp25
分子名称: FORMIC ACID, Ribonuclease P protein subunit p20, Ribonuclease P protein subunit p25, ...
著者Chan, C.W, Kiesel, B.R, Mondragon, A.
登録日2018-03-31
公開日2018-04-18
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal Structure of Human Rpp20/Rpp25 Reveals Quaternary Level Adaptation of the Alba Scaffold as Structural Basis for Single-stranded RNA Binding.
J. Mol. Biol., 430, 2018
6CI9
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BU of 6ci9 by Molmil
RMM microcompartment-associated aminopropanol dehydrogenase NADP + aminoacetone holo-structure
分子名称: 1-aminopropan-2-one, 3-oxoacyl-[acyl-carrier-protein] reductase, CHLORIDE ION, ...
著者Mallette, E, Kimber, M.S.
登録日2018-02-23
公開日2018-05-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and Kinetics of the S-(+)-1-Amino-2-propanol Dehydrogenase from the RMM Microcompartment of Mycobacterium smegmatis.
Biochemistry, 57, 2018
4X6R
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BU of 4x6r by Molmil
An Isoform-specific Myristylation Switch Targets RIIb PKA Holoenzymes to Membranes
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Zhang, P, Ye, F, Bastidas, A.C, Kornev, A.P, Ginsberg, M.H, Wu, J, Taylor, S.S.
登録日2014-12-09
公開日2015-07-22
最終更新日2020-06-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献An Isoform-Specific Myristylation Switch Targets Type II PKA Holoenzymes to Membranes.
Structure, 23, 2015
4X7D
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BU of 4x7d by Molmil
Crystal structure of 2012 NSW GII.4 P domain in complex with Nano-85
分子名称: 1,2-ETHANEDIOL, Nano-85 Nanobody, VP1
著者Koromyslova, A.D, Hansman, G.S.
登録日2014-12-09
公開日2014-12-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Nanobody binding to a conserved epitope promotes norovirus particle disassembly.
J.Virol., 89, 2015
2O3Z
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BU of 2o3z by Molmil
X-ray crystal structure of LpxC complexed with 3-heptyloxybenzoate
分子名称: 3-(heptyloxy)benzoic acid, CHLORIDE ION, SULFATE ION, ...
著者Gennadios, H.A, Whittington, D.A, Christianson, D.W.
登録日2006-12-02
公開日2007-02-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Amphipathic benzoic acid derivatives: synthesis and binding in the hydrophobic tunnel of the zinc deacetylase LpxC.
Bioorg.Med.Chem., 15, 2007

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