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4NM2
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Structure of human DNA polymerase beta complexed with a nicked DNA containing a 8BrG-G at N-1 position and G-C at N position
分子名称: 5'-D(*CP*CP*GP*AP*CP*GP*(BGM)P*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*GP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ...
著者Koag, M.-C, Min, K, Monzingo, A.F, Lee, S.
登録日2013-11-14
公開日2014-01-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.524 Å)
主引用文献Structural basis for promutagenicity of 8-halogenated Guanine.
J.Biol.Chem., 289, 2014
4EJM
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Crystal structure of a putative zinc-binding dehydrogenase (Target PSI-012003) from Sinorhizobium meliloti 1021 bound to NADP
分子名称: 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative zinc-binding dehydrogenase, ...
著者Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2012-04-06
公開日2012-05-02
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Crystal structure of a putative zinc-binding dehydrogenase (target nysgrc-012003) from sinorhizobium meliloti 1021 bound to NADP
To be Published
4NFM
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Human tau tubulin kinase 1 (TTBK1)
分子名称: GLYCEROL, Tau-tubulin kinase 1
著者Sheriff, S.
登録日2013-10-31
公開日2014-02-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献The structure of human tau-tubulin kinase 1 both in the apo form and in complex with an inhibitor.
Acta Crystallogr F Struct Biol Commun, 70, 2014
4NHG
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Crystal Structure of 2G12 IgG Dimer
分子名称: 2G12 IgG dimer heavy chain, 2G12 IgG dimer light chain, Hepatitis B virus receptor binding protein
著者Wu, Y, West Jr, A.P, Kim, H.J, Thornton, M.E, Ward, A.B, Bjorkman, P.J.
登録日2013-11-05
公開日2014-02-26
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (8.001 Å)
主引用文献Structural basis for enhanced HIV-1 neutralization by a dimeric immunoglobulin G form of the glycan-recognizing antibody 2G12.
Cell Rep, 5, 2013
4NJM
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Crystal Structure of phosphoglycerate bound 3-phosphoglycerate dehydrogenase in Entamoeba histolytica
分子名称: 3-PHOSPHOGLYCERIC ACID, D-3-phosphoglycerate dehydrogenase, putative
著者Singh, R.K, Gourinath, S.
登録日2013-11-11
公開日2014-10-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Crystal structures and kinetics of Type III 3-phosphoglycerate dehydrogenase reveal catalysis by lysine.
Febs J., 281, 2014
4NLK
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Structure of human DNA polymerase beta complexed with 8BrG in the template base-paired with incoming non-hydrolyzable CTP
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, 5'-D(*CP*CP*GP*AP*CP*(BGM)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3', ...
著者Koag, M.-C, Min, K, Monzingo, A.F, Lee, S.
登録日2013-11-14
公開日2014-01-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.494 Å)
主引用文献Structural basis for promutagenicity of 8-halogenated Guanine.
J.Biol.Chem., 289, 2014
4NQZ
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Crystal Structure of the Pseudomonas aeruginosa Enoyl-Acyl Carrier Protein Reductase (FabI) in apo form
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
著者Chi, Y.M, Lee, J.H, Park, A.K.
登録日2013-11-26
公開日2014-11-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.604 Å)
主引用文献Crystal Structures of Pseudomonas aeruginosa Enoyl-ACP Reductase (FabI) in the Presence and Absence of NAD+ and Triclosan
Bull.Korean Chem.Soc., 36, 2015
4NE7
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Crystal Structure of engineered Kumamolisin-As from Alicyclobacillus sendaiensis, Northeast Structural Genomics Consortium (NESG) Target OR367
分子名称: Kumamolisin-As, ZINC ION
著者Guan, R, Pultz, I.S, Siegel, J.B, Seetharaman, J, Kornhaber, G, Maglaqui, M, Mao, L, Xiao, R, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2013-10-28
公開日2013-11-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.497 Å)
主引用文献Northeast Structural Genomics Consortium Target OR367
To be Published
4NQY
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The reduced form of MJ0499
分子名称: Isopropylmalate/citramalate isomerase large subunit, ZINC ION
著者Hwang, K.Y, Lee, E.H, Lee, K.
登録日2013-11-26
公開日2014-05-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural characterization and comparison of the large subunits of IPM isomerase and homoaconitase from Methanococcus jannaschii
Acta Crystallogr.,Sect.D, 70, 2014
4NU0
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BU of 4nu0 by Molmil
Crystal structure of Adenylate kinase from Streptococcus pneumoniae with Ap5A
分子名称: Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION
著者Thach, T.T, Luong, T.T, Lee, S.H, Rhee, D.K.
登録日2013-12-03
公開日2014-07-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.485 Å)
主引用文献Adenylate kinase from Streptococcus pneumoniae is essential for growth through its catalytic activity
FEBS Open Bio, 4, 2014
4NUR
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Crystal structure of thermostable alkylsulfatase SdsAP from Pseudomonas sp. S9
分子名称: MAGNESIUM ION, PSdsA, ZINC ION
著者Sun, L.F, Su, Y.T, Zhao, Y.H, Cai, Z.X, Wu, Y.
登録日2013-12-04
公開日2014-12-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.761 Å)
主引用文献Crystal structure of thermostable alkylsulfatase SdsAP from Pseudomonas sp. S9
To be Published
4NWK
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Crystal structure of hepatis c virus protease (ns3) complexed with bms-605339 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-n-((1r,2s)-1-((cyclopropylsulfonyl)carba moyl)-2-vinylcyclopropyl)-4-((6-methoxy-1-isoquinolinyl)ox y)-l-prolinamide
分子名称: GLYCEROL, HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-4-[(6-methoxyisoquinolin-1-yl)oxy]-L-prolinamide, ...
著者Muckelbauer, J.K, Klei, H.E.
登録日2013-12-06
公開日2014-03-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 57, 2014
4NE6
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Human MHF1-MHF2 complex
分子名称: Centromere protein S, Centromere protein X
著者Zhao, Q, Saro, D, Sachpatzidis, A, Sung, P, Xiong, Y.
登録日2013-10-28
公開日2013-12-25
最終更新日2014-02-12
実験手法X-RAY DIFFRACTION (2.1001 Å)
主引用文献The MHF complex senses branched DNA by binding a pair of crossover DNA duplexes.
Nat Commun, 5, 2014
4NG9
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Factor viia in complex with the inhibitor (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-n-(3-sulfamoylbenzyl)ethanamide
分子名称: (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-(3-sulfamoylbenzyl)ethanamide, CALCIUM ION, Factor VIIa (Heavy Chain), ...
著者Wei, A, Anumula, R.
登録日2013-11-01
公開日2014-01-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design and Synthesis of Phenylpyrrolidine Phenylglycinamides As Highly Potent and Selective TF-FVIIa Inhibitors.
ACS Med Chem Lett, 5, 2014
4KSA
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BU of 4ksa by Molmil
Crystal Structure of Malonyl-CoA decarboxylase from Rhodopseudomonas palustris, Northeast Structural Genomics Consortium Target RpR127
分子名称: MAGNESIUM ION, Malonyl-CoA decarboxylase
著者Forouhar, F, Neely, H, Seetharaman, J, Sahdev, S, Xiao, R, Patel, D.J, Ciccosanti, C, Wang, D, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2013-05-17
公開日2013-06-19
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structures of malonyl-coenzyme a decarboxylase provide insights into its catalytic mechanism and disease-causing mutations.
Structure, 21, 2013
4K88
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Crystal structure of human prolyl-tRNA synthetase (halofuginone bound form)
分子名称: 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, Proline--tRNA ligase, ZINC ION
著者Hwang, K.Y, Son, J.H, Lee, E.H.
登録日2013-04-18
公開日2013-10-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.619 Å)
主引用文献Conformational changes in human prolyl-tRNA synthetase upon binding of the substrates proline and ATP and the inhibitor halofuginone.
Acta Crystallogr.,Sect.D, 69, 2013
4EDM
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Crystal structure of beta-parvin CH2 domain
分子名称: 1,2-ETHANEDIOL, Beta-parvin
著者Stiegler, A.L, Draheim, K.M, Li, X, Chayen, N.E, Calderwood, D.A, Boggon, T.J.
登録日2012-03-27
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for paxillin binding and focal adhesion targeting of beta-parvin.
J.Biol.Chem., 287, 2012
4KNV
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The crystal structure of APO HUMAN HDHD4 FROM SE-MAD
分子名称: MAGNESIUM ION, N-acylneuraminate-9-phosphatase, PHOSPHATE ION
著者Klei, H.E.
登録日2013-05-10
公開日2013-06-26
最終更新日2013-07-10
実験手法X-RAY DIFFRACTION (1.993 Å)
主引用文献Design, synthesis, functional and structural characterization of an inhibitor of N-acetylneuraminate-9-phosphate phosphatase: Observation of extensive dynamics in an enzyme/inhibitor complex.
Bioorg.Med.Chem.Lett., 23, 2013
4KHB
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Structure of the Spt16D Pob3N heterodimer
分子名称: SULFATE ION, Uncharacterized protein POB3N, Uncharacterized protein SPT16D
著者Stuwe, T, Zhang, E, Ladurner, A.G.
登録日2013-04-30
公開日2013-05-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis of histone H2A-H2B recognition by the essential chaperone FACT.
Nature, 499, 2013
4KP1
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Crystal structure of IPM isomerase large subunit from methanococcus jannaschii (MJ0499)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2,4-dimethylpentane-2,4-diol, Isopropylmalate/citramalate isomerase large subunit, ...
著者Hwang, K.Y, Lee, E.H.
登録日2013-05-13
公開日2014-04-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural characterization and comparison of the large subunits of IPM isomerase and homoaconitase from Methanococcus jannaschii
Acta Crystallogr.,Sect.D, 70, 2014
4ETK
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BU of 4etk by Molmil
Crystal Structure of E6A/L130D/A155H variant of de novo designed serine hydrolase, Northeast Structural Genomics Consortium (NESG) Target OR186
分子名称: De novo designed serine hydrolase, SODIUM ION
著者Kuzin, A, Su, M, Seetharaman, J, Kornhaber, K, Kornhaber, G, Rajagopalan, S, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2012-04-24
公開日2012-06-13
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
4EUH
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Crystal structure of Clostridium acetobutulicum trans-2-enoyl-CoA reductase apo form
分子名称: Putative reductase CA_C0462, SODIUM ION
著者Hu, K, Zhao, M, Zhang, T, Yang, S, Ding, J.
登録日2012-04-25
公開日2012-11-28
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of trans-2-enoyl-CoA reductases from Clostridium acetobutylicum and Treponema denticola: insights into the substrate specificity and the catalytic mechanism
Biochem.J., 449, 2013
4EXO
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BU of 4exo by Molmil
Revised, rerefined crystal structure of PDB entry 2QHK, methyl accepting chemotaxis protein
分子名称: Methyl-accepting chemotaxis protein, PYRUVIC ACID
著者Sweeney, E.G, Henderson, J.N, Goers, J, Wreden, C, Hicks, K.G, Foster, J.K, Parthasarathy, R, Remington, S.J, Guillemin, K.
登録日2012-04-30
公開日2012-05-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and Proposed Mechanism for the pH-Sensing Helicobacter pylori Chemoreceptor TlpB.
Structure, 20, 2012
4NJO
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crystal structure of cofactor(NAD+) bound 3-phosphoglycerate dehydrogenase in Entamoeba histolytica
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, D-3-phosphoglycerate dehydrogenase, putative, ...
著者Singh, R.K, Gourinath, S.
登録日2013-11-11
公開日2014-10-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Crystal structures and kinetics of Type III 3-phosphoglycerate dehydrogenase reveal catalysis by lysine.
Febs J., 281, 2014
4NLD
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Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with BMS-791325 also known as (1aR,12bS)-8-cyclohexyl-n-(dimethylsulfamoyl)-11-methoxy-1a-{[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide and 2-(4-fluorophenyl)-n-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide
分子名称: (1aR,12bS)-8-cyclohexyl-N-(dimethylsulfamoyl)-11-methoxy-1a-{[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide, 2-(4-fluorophenyl)-N-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide, RNA-directed RNA polymerase, ...
著者Sheriff, S.
登録日2013-11-14
公開日2014-03-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Discovery and Preclinical Characterization of the Cyclopropylindolobenzazepine BMS-791325, A Potent Allosteric Inhibitor of the Hepatitis C Virus NS5B Polymerase.
J.Med.Chem., 57, 2014

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件を2024-08-21に公開中

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