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4MDF
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BU of 4mdf by Molmil
Structure of bacterial polynucleotide kinase Michaelis complex bound to GTP and DNA
分子名称: CITRIC ACID, DNA (5'-D(*CP*CP*TP*GP*T)-3'), GUANOSINE-5'-TRIPHOSPHATE, ...
著者Shuman, S, Das, U, Wang, L.K, Smith, P, Jacewicz, A.
登録日2013-08-22
公開日2013-11-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.727 Å)
主引用文献Structures of bacterial polynucleotide kinase in a Michaelis complex with GTP*Mg2+ and 5'-OH oligonucleotide and a product complex with GDP*Mg2+ and 5'-PO4 oligonucleotide reveal a mechanism of general acid-base catalysis and the determinants of phosphoacceptor recognition.
Nucleic Acids Res., 42, 2014
6F82
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BU of 6f82 by Molmil
AKR1B1 at 1.65 MGy radiation dose.
分子名称: Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Castellvi, A, Juanhuix, J.
登録日2017-12-12
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Efficacy of aldose reductase inhibitors is affected by oxidative stress induced under X-ray irradiation.
Sci Rep, 9, 2019
4LS5
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BU of 4ls5 by Molmil
Crystal structure of beta-ketoacyl-ACP synthase II (FabF) from Bacillus subtilis
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, GLYCEROL, POTASSIUM ION
著者Trajtenberg, F, Larrieux, N, Buschiazzo, A.
登録日2013-07-22
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.803 Å)
主引用文献Structural insights into bacterial resistance to cerulenin.
Febs J., 281, 2014
4LOA
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BU of 4loa by Molmil
X-ray structure of the de-novo design amidase at the resolution 1.8A, Northeast Structural Genomics Consortium (NESG) Target OR398
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, De-novo design amidase
著者Kuzin, A, Lew, S, Vorobiev, S.M, Seetharaman, J, Sahdev, S, Xiao, R, Maglaqui, M, Kogan, S, Khersonsky, O, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2013-07-12
公開日2013-08-07
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.819 Å)
主引用文献Northeast Structural Genomics Consortium Target OR398
To be Published
6F7R
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BU of 6f7r by Molmil
AKR1B1 at 0.03 MGy radiation dose.
分子名称: Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Castellvi, A, Juanhuix, J.
登録日2017-12-11
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (0.92 Å)
主引用文献Efficacy of aldose reductase inhibitors is affected by oxidative stress induced under X-ray irradiation.
Sci Rep, 9, 2019
4LUN
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BU of 4lun by Molmil
Structure of the N-terminal mIF4G domain from S. cerevisiae Upf2, a protein involved in the degradation of mRNAs containing premature stop codons
分子名称: CHLORIDE ION, Nonsense-mediated mRNA decay protein 2
著者Fourati, Z, Roy, B, Millan, C, Courreux, P.D, Kervestin, S, van Tilbeurgh, H, He, F, Uson, I, Jacobson, A, Graille, M.
登録日2013-07-25
公開日2014-07-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.641 Å)
主引用文献A highly conserved region essential for NMD in the Upf2 N-terminal domain.
J.Mol.Biol., 426, 2014
4LUD
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BU of 4lud by Molmil
Crystal Structure of HCK in complex with the fluorescent compound SKF86002
分子名称: 6-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole, CALCIUM ION, CHLORIDE ION, ...
著者Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S.
登録日2013-07-25
公開日2014-02-12
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002.
Acta Crystallogr.,Sect.D, 70, 2014
6FA1
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BU of 6fa1 by Molmil
Antibody derived (Abd-4) small molecule binding to KRAS.
分子名称: 2-[4-[[(3~{R})-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]phenoxy]ethyl-dimethyl-azanium, GTPase KRas, MAGNESIUM ION, ...
著者Quevedo, C.E, Cruz-Migoni, A, Ehebauer, M.T, Carr, S.B, Phillips, S.V.E, Rabbitts, T.H.
登録日2017-12-15
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment.
Nat Commun, 9, 2018
6FJT
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BU of 6fjt by Molmil
4-chloro-benzamidine in complex with thrombin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-chloranylbenzenecarboximidamide, DIMETHYL SULFOXIDE, ...
著者Abazi, N, Heine, A, Klebe, G.
登録日2018-01-23
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献4-chloro-benzamidine in complex with thrombin
To be published
4LZH
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BU of 4lzh by Molmil
L,D-transpeptidase from Klebsiella pneumoniae
分子名称: L,D-transpeptidase
著者Osipiuk, J, Hatzos-Skintges, C, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2013-07-31
公開日2013-08-21
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献L,D-transpeptidase from Klebsiella pneumoniae.
To be Published
4M0M
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BU of 4m0m by Molmil
The crystal structure of a functionally unknown protein lpg2422 from Legionella pneumophila subsp. pneumophila str. Philadelphia 1
分子名称: PHOSPHATE ION, Putative uncharacterized protein, TETRAETHYLENE GLYCOL
著者Tan, K, Li, H, Clancy, S, Shuman, H, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2013-08-01
公開日2013-08-21
実験手法X-RAY DIFFRACTION (2.192 Å)
主引用文献The crystal structure of a functionally unknown protein lpg2422 from Legionella pneumophila subsp. pneumophila str. Philadelphia 1
To be Published
4M5T
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BU of 4m5t by Molmil
Disulfide trapped human alphaB crystallin core domain in complex with C-terminal peptide
分子名称: Alpha-crystallin B chain, SULFATE ION
著者Laganowsky, A, Cascio, D, Hochberg, G, Sawaya, M.R, Benesch, J.L.P, Robinson, C.V, Eisenberg, D.
登録日2013-08-08
公開日2014-04-09
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structured core domain of alpha B-crystallin can prevent amyloid fibrillation and associated toxicity.
Proc.Natl.Acad.Sci.USA, 111, 2014
6FLA
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BU of 6fla by Molmil
3H5 Fab bound to EDIII of DenV 2 Xtal form 1
分子名称: CHLORIDE ION, Domain III of Dengue virus 2, GLYCEROL, ...
著者Flanagan, A, Renner, M, Grimes, J.M.
登録日2018-01-25
公開日2018-10-24
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Characterization of a potent and highly unusual minimally enhancing antibody directed against dengue virus.
Nat. Immunol., 19, 2018
4M65
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BU of 4m65 by Molmil
In situ thermolysin crystallized on a MiTeGen micromesh with asparagine ligand
分子名称: 1,2-ETHANEDIOL, ASPARAGINE, CALCIUM ION, ...
著者Yin, X, Scalia, A, Leroy, L, Cuttitta, C.M, Polizzo, G.M, Ericson, D.L, Roessler, C.G, Campos, O, Agarwal, R, Allaire, M, Orville, A.M, Jackimowicz, R, Ma, M.Y, Sweet, R.M, Soares, A.S.
登録日2013-08-08
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Hitting the target: fragment screening with acoustic in situ co-crystallization of proteins plus fragment libraries on pin-mounted data-collection micromeshes
Acta Crystallogr.,Sect.D, D70
4M6M
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BU of 4m6m by Molmil
Crystal structure of anti-IL-23 antibody CNTO1959 at pH 9.5
分子名称: CNTO1959 heavy chain, CNTO1959 light chain, DI(HYDROXYETHYL)ETHER, ...
著者Teplyakov, A, Obmolova, G, Gilliland, G.L.
登録日2013-08-09
公開日2014-03-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Antibody modeling assessment II. Structures and models.
Proteins, 82, 2014
4MAA
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BU of 4maa by Molmil
The Crystal Structure of Amino Acid ABC Transporter Substrate-binding Protein from Pseudomonas fluorescens Pf-5
分子名称: CHLORIDE ION, GLYCEROL, Putative branched-chain amino acid ABC transporter, ...
著者Wu, R, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2013-08-15
公開日2013-12-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Crystal Structure of Amino Acid ABC Transporter Substrate-binding Protein from Pseudomonas fluorescens Pf-5
To be Published
6FCE
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BU of 6fce by Molmil
NMR ensemble of Macrocyclic Peptidomimetic Containing Constrained a,a-dialkylated Amino Acids with Potent and Selective Activity at Human Melanocortin Receptors
分子名称: ACP-HIS-DPHE-ARG-TRP-ASP-NH2
著者Brancaccio, D, Carotenuto, A, Grieco, P, Merlino, F, Zhou, Y, Cai, M, Yousif, A.M, Di Maro, S, Novellino, E, Hruby, V.J.
登録日2017-12-20
公開日2018-04-25
最終更新日2018-05-23
実験手法SOLUTION NMR
主引用文献Development of Macrocyclic Peptidomimetics Containing Constrained alpha , alpha-Dialkylated Amino Acids with Potent and Selective Activity at Human Melanocortin Receptors.
J. Med. Chem., 61, 2018
4MF5
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BU of 4mf5 by Molmil
Crystal structure of glutathione transferase BgramDRAFT_1843 from Burkholderia graminis, Target EFI-507289, with traces of one GSH bound
分子名称: FORMIC ACID, GLUTATHIONE, Glutathione S-transferase domain
著者Patskovsky, Y, Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2013-08-27
公開日2013-09-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.11 Å)
主引用文献Crystal structure of glutathione transferase BgramDRAFT_1843 from Burkholderia graminis, Target EFI-507289, with traces of one GSH bound
To be Published
6FES
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BU of 6fes by Molmil
Crystal structure of novel repeat protein BRIC2 fused to DARPin D12
分子名称: 1,2-ETHANEDIOL, D12_BRIC2, a synthetic protein,D12_BRIC2, ...
著者ElGamacy, M, Coles, M, Ernst, P, Zhu, H, Hartmann, M.D, Plueckthun, A, Lupas, A.
登録日2018-01-03
公開日2018-09-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献An Interface-Driven Design Strategy Yields a Novel, Corrugated Protein Architecture.
ACS Synth Biol, 7, 2018
4MHB
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BU of 4mhb by Molmil
Structure of a putative reductase from Yersinia pestis
分子名称: Putative aldo/keto reductase, SULFATE ION
著者Anderson, S.M, Wawrzak, Z, Kudritska, M, Kwon, K, Rembert, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-08-29
公開日2013-10-16
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure of a putative reductase from Yersinia pestis
To be Published
4MGN
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BU of 4mgn by Molmil
Co-crystal structure of the G. kaustophilus glyQS T box riboswitch Stem I in complex with tRNA
分子名称: MAGNESIUM ION, glyQS T box riboswitch, tRNA-glycine
著者Grigg, J.C, Ke, A.
登録日2013-08-28
公開日2013-10-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural Determinants for Geometry and Information Decoding of tRNA by T Box Leader RNA.
Structure, 21, 2013
4MHW
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BU of 4mhw by Molmil
Crystal structure of ThiT with small molecule BAT-25
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl}ethanol, ...
著者Swier, L.J.Y.M, Guskov, A, Slotboom, D.J.
登録日2013-08-30
公開日2014-09-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of ThiT with small molecules modulators
To be Published
4MHV
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BU of 4mhv by Molmil
Crystal structure of the PNT domain of human ETS2
分子名称: ACETATE ION, CALCIUM ION, GLYCEROL, ...
著者Newman, J.A, Cooper, C.D.O, Krojer, T, Shrestha, L, Burgess-brown, N, Arrowsmith, C.H, Bountra, C, Edwards, A, Gileadi, O.
登録日2013-08-30
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structure of the PNT domain of human ETS2
To be Published
4MI1
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BU of 4mi1 by Molmil
Crystal structure of the double mutant (S112A, H303A) of B.anthracis mycrocine immunity protein (MccF) with aspartyl sulfamoyl adenylates
分子名称: 5'-O-(L-alpha-aspartylsulfamoyl)adenosine, Microcin immunity protein MccF, SULFATE ION
著者Nocek, B, Severinov, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-08-30
公開日2014-04-23
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of the double mutant (S112A, H303A) of B.anthracis mycrocine immunity protein (MccF) with aspartyl sulfamoyl adenylates
TO BE PUBLISHED
6FH2
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BU of 6fh2 by Molmil
Protein arginine kinase McsB in the AMP-PN-bound state
分子名称: 1,2-ETHANEDIOL, AMP PHOSPHORAMIDATE, Protein-arginine kinase
著者Suskiewicz, M.J, Heuck, A, Vu, L.D, Clausen, T.
登録日2018-01-12
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of McsB, a protein kinase for regulated arginine phosphorylation.
Nat.Chem.Biol., 15, 2019

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