PDB: 31171 件ウェブページステータス検索Chemie searchBIRD

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5T6K	Crystal Structure of TgCDPK1 From Toxoplasma Gondii complexed with GW780159X 分子名称: 4-(3-chlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine, Calmodulin-domain protein kinase 1, UNKNOWN ATOM OR ION 著者 Jiang, D.Q, Tempel, W, Walker, J.R, El Bakkouri, M, Loppnau, P, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lovato, D.V, Osman, K.T, Structural Genomics Consortium (SGC) 登録日 2016-09-01 公開日 2016-11-02 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal Structure of CDPK1 from toxoplasma gondii complexed with SGC-1-19 to be published
5TDF	TEV Cleaved Human ATP Citrate Lyase Bound to 4S hydroxycitrate 分子名称: 3-C-carboxy-2-deoxy-D-erythro-pentaric acid, ADENINE, ADENOSINE-5'-DIPHOSPHATE, ... 著者 Hu, J, Fraser, M.E. 登録日 2016-09-19 公開日 2017-08-09 最終更新日 2017-08-16 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Binding of hydroxycitrate to human ATP-citrate lyase. Acta Crystallogr D Struct Biol, 73, 2017
5T6Q	Structure of cytochrome P450 4B1 (CYP4B1) complexed with octane: An n-Alkane and fatty acid omega-hydroxylase with a covalently bound heme 分子名称: Cytochrome P450 4B1, N-OCTANE, PROTOPORPHYRIN IX CONTAINING FE 著者 Hsu, M, Johnson, E.F. 登録日 2016-09-01 公開日 2017-02-15 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.701 Å) 主引用文献 The Crystal Structure of Cytochrome P450 4B1 (CYP4B1) Monooxygenase Complexed with Octane Discloses Several Structural Adaptations for omega-Hydroxylation. J. Biol. Chem., 292, 2017
5TE2	Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a mechanism-based inhibitor 分子名称: 1,2-ETHANEDIOL, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, DI(HYDROXYETHYL)ETHER, ... 著者 Maize, K.M, Eiden, C, Aldrich, C.C, Finzel, B.C. 登録日 2016-09-20 公開日 2017-05-31 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Rational Optimization of Mechanism-Based Inhibitors through Determination of the Microscopic Rate Constants of Inactivation. J. Am. Chem. Soc., 139, 2017
5TF6	Structure and conformational plasticity of the U6 small nuclear ribonucleoprotein core 分子名称: CHLORIDE ION, GLYCEROL, POTASSIUM ION, ... 著者 Montemayor, E.J, Brow, D.A, Butcher, S.E. 登録日 2016-09-24 公開日 2017-01-11 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure and conformational plasticity of the U6 small nuclear ribonucleoprotein core. Acta Crystallogr D Struct Biol, 73, 2017
5THS	Crystal Structure of G302A HDAC8 in complex with M344 分子名称: 1,2-ETHANEDIOL, 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, ... 著者 Porter, N.J, Christianson, D.W. 登録日 2016-09-30 公開日 2016-12-21 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural and Functional Influence of the Glycine-Rich Loop G302GGGY on the Catalytic Tyrosine of Histone Deacetylase 8. Biochemistry, 55, 2016
5TII	Comprehensive Analysis of a Novel Ketoreductase for Pentangular Polyphenol Biosynthesis 分子名称: 3-oxoacyl-ACP reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Valentic, T.R, Tsai, S.C, Brady, S.F. 登録日 2016-10-03 公開日 2016-11-09 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Comprehensive Analysis of a Novel Ketoreductase for Pentangular Polyphenol Biosynthesis. ACS Chem. Biol., 11, 2016
5T9B	Crystal structure of B. subtilis 168 GlpQ in complex with glycerol-3-phosphate (5 minute soak) 分子名称: CALCIUM ION, Glycerophosphoryl diester phosphodiesterase, SN-GLYCEROL-3-PHOSPHATE, ... 著者 Li, F.K.K, Strynadka, N.C.J. 登録日 2016-09-09 公開日 2016-11-02 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 Identification of Two Phosphate Starvation-induced Wall Teichoic Acid Hydrolases Provides First Insights into the Degradative Pathway of a Key Bacterial Cell Wall Component. J. Biol. Chem., 291, 2016
5TKI	Neurospora crassa polysaccharide monooxygenase 2 resting state joint X-ray/neutron refinement 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Lytic polysaccharide monooxygenase 著者 O'Dell, W.B, Meilleur, F. 登録日 2016-10-06 公開日 2017-05-17 最終更新日 2023-10-04 実験手法 NEUTRON DIFFRACTION (1.5 Å), X-RAY DIFFRACTION 主引用文献 Oxygen Activation at the Active Site of a Fungal Lytic Polysaccharide Monooxygenase. Angew. Chem. Int. Ed. Engl., 56, 2017
5TKQ	Crystal structure of human 3HAO with zinc bound in the active site 分子名称: 3-hydroxyanthranilate 3,4-dioxygenase, SULFATE ION, ZINC ION 著者 Pidugu, L.S, Toth, E.A. 登録日 2016-10-07 公開日 2017-04-12 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Crystal structures of human 3-hydroxyanthranilate 3,4-dioxygenase with native and non-native metals bound in the active site. Acta Crystallogr D Struct Biol, 73, 2017
5TNU	S. tokodaii XPB II crystal structure at 3.0 Angstrom resolution 分子名称: CHLORIDE ION, DNA-dependent ATPase XPBII, GLYCEROL, ... 著者 DuPrez, K.T, Hilario, E, Wang, I, Fan, L. 登録日 2016-10-14 公開日 2017-11-01 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (3.05 Å) 主引用文献 Application of Electrochemical Devices to Characterize the Dynamic Actions of Helicases on DNA. Anal.Chem., 90, 2018
5TFZ	Crystal structure of the dimethylsulfoniopropionate (DMSP) lyase DddK complexed with nickel and diacrylate 分子名称: 3-(acryloyloxy)propanoic acid, DI(HYDROXYETHYL)ETHER, NICKEL (II) ION, ... 著者 Schnicker, N.J, Dey, M. 登録日 2016-09-27 公開日 2017-06-14 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structural and Biochemical Insights into Dimethylsulfoniopropionate Cleavage by Cofactor-Bound DddK from the Prolific Marine Bacterium Pelagibacter. Biochemistry, 56, 2017
5T6G	2.45 A resolution structure of Norovirus 3CL protease in complex with the dipeptidyl inhibitor 7m (hexagonal form) 分子名称: 3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-(octylsulfonyl)-L-alaninamide, Genome polyprotein 著者 Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Rathnayake, A.D, Damalanka, V.C, Weerawarna, P.M, Doyle, S.T, Alsoudi, A.F, Dissanayake, D.M.P, Chang, K.-O, Groutas, W.C. 登録日 2016-09-01 公開日 2016-11-23 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Structure-based exploration and exploitation of the S4 subsite of norovirus 3CL protease in the design of potent and permeable inhibitors. Eur J Med Chem, 126, 2016
5TGH	Structure of the SNX5 PX domain in complex with chlamydial protein IncE in space group P32 分子名称: IncE, Sorting nexin-5 著者 Collins, B, Paul, B. 登録日 2016-09-27 公開日 2017-05-03 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Structural basis for the hijacking of endosomal sorting nexin proteins byChlamydia trachomatis. Elife, 6, 2017
5T7I	Crystal structure of galectin-8N in complex with LNnT 分子名称: Galectin-8, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose 著者 Bohari, M.H, Yu, X, Blanchard, H. 登録日 2016-09-05 公開日 2017-01-04 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure-based rationale for differential recognition of lacto- and neolacto- series glycosphingolipids by the N-terminal domain of human galectin-8. Sci Rep, 6, 2016
5THU	Crystal Structure of G304A HDAC8 in complex with M344 分子名称: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, POTASSIUM ION, ... 著者 Porter, N.J, Christianson, D.W. 登録日 2016-09-30 公開日 2016-12-21 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structural and Functional Influence of the Glycine-Rich Loop G302GGGY on the Catalytic Tyrosine of Histone Deacetylase 8. Biochemistry, 55, 2016
5TCV	ACC oxidase complex with substrate 1-aminocyclopropane-1-carboxylic acid 分子名称: 1-AMINOCYCLOPROPANECARBOXYLIC ACID, 1-aminocyclopropane-1-carboxylate oxidase 1, NICKEL (II) ION 著者 Gunawardana, D.M, Yosaatmadja, Y, Leung, I.K, Squire, C.J. 登録日 2016-09-15 公開日 2017-09-20 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 ACC oxidase complex with substrate 1-aminocyclopropane-1-carboxylic acid To Be Published
5TCY	A complex of the synthetic siderophore analogue Fe(III)-5-LICAM with CeuE (H227L variant), a periplasmic protein from Campylobacter jejuni. 分子名称: Enterochelin uptake periplasmic binding protein, FE (III) ION, N,N'-pentane-1,5-diylbis(2,3-dihydroxybenzamide) 著者 Wilde, E.J, Blagova, E, Hughes, A, Raines, D.J, Moroz, O.V, Turkenburg, J.P, Duhme-Klair, A.-K, Wilson, K.S. 登録日 2016-09-16 公開日 2017-04-12 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Interactions of the periplasmic binding protein CeuE with Fe(III) n-LICAM(4-) siderophore analogues of varied linker length. Sci Rep, 7, 2017
5T91	Crystal structure of B. subtilis 168 GlpQ in complex with bicine 分子名称: BICINE, CALCIUM ION, Glycerophosphoryl diester phosphodiesterase, ... 著者 Li, F.K.K, Strynadka, N.C.J. 登録日 2016-09-09 公開日 2016-11-02 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 Identification of Two Phosphate Starvation-induced Wall Teichoic Acid Hydrolases Provides First Insights into the Degradative Pathway of a Key Bacterial Cell Wall Component. J. Biol. Chem., 291, 2016
5T9T	Protocadherin Gamma B2 extracellular cadherin domains 1-5 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Protocadherin gamma B2-alpha C, ... 著者 Goodman, K.M, Mannepalli, S, Bahna, F, Honig, B, Shapiro, L. 登録日 2016-09-09 公開日 2016-10-19 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (3.5 Å) 主引用文献 gamma-Protocadherin structural diversity and functional implications. Elife, 5, 2016
5TDO	Crystal structure of the Fab fragment of anti-HER2 antibody 4D5 with redesigned heavy and light chain interfaces 分子名称: GLYCEROL, anti-HER2 Fab Heavy Chain, anti-HER2 Fab Light Chain 著者 Yin, Y, Carter, P.J. 登録日 2016-09-19 公開日 2016-12-07 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.61 Å) 主引用文献 Crystal structure of the Fab fragment of anti-HER2 antibody 4D5 with redesigned heavy and light chain interfaces To Be Published
5TE0	Crystal Structure of Adaptor Protein 2 Associated Kinase (AAK1) in complex with BIBF 1120 分子名称: AP2-associated protein kinase 1, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... 著者 Counago, R.M, Elkins, J.M, Bountra, C, Arruda, P, Edwards, A.M, Gileadi, O, Structural Genomics Consortium (SGC) 登録日 2016-09-20 公開日 2016-11-02 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal Structure of Adaptor Protein 2 Associated Kinase (AAK1) in complex with BIBF 1120 To Be Published
5TEE	Crystal structure of Gemin5 WD40 repeats in apo form 分子名称: GLYCEROL, Gem-associated protein 5, SODIUM ION, ... 著者 Chao, X, Tempel, W, Bian, C, Cerovina, T, He, H, Walker, J.R, Seitova, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) 登録日 2016-09-21 公開日 2016-10-19 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Structural insights into Gemin5-guided selection of pre-snRNAs for snRNP assembly. Genes Dev., 30, 2016
5TFO	CRYSTAL STRUCTURE OF THE ZIKA VIRUS NS2B-NS3 PROTEASE with a deletion V76-L86 in NS2b 分子名称: NS2B-NS3 Protease CHIMERA,NS2B-NS3 PROTEASE,NS2B-NS3 Protease CHIMERA 著者 Aleshin, A.E, Bankston, L, Liddington, R.C. 登録日 2016-09-26 公開日 2017-10-25 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.51 Å) 主引用文献 A novel conformation for the Zika virus NS2B-NS3 protease offers new insights into biological regulation and inhibitor design. To Be Published
5TG1	1.40 A resolution structure of Norovirus 3CL protease in complex with the a m-chlorophenyl substituted macrocyclic inhibitor (17-mer) 分子名称: (4S,7S,17S)-17-(3-chlorophenyl)-7-(hydroxymethyl)-4-(2-methylpropyl)-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione, 3C-LIKE PROTEASE, CHLORIDE ION 著者 Lovell, S, Battaile, K.P, Mehzabeen, N, Damalanka, V.C, Kim, Y, Kankanamalage, A.C.G, Chang, K.-O, Groutas, W.C. 登録日 2016-09-27 公開日 2017-01-11 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Design, synthesis, and evaluation of a novel series of macrocyclic inhibitors of norovirus 3CL protease. Eur J Med Chem, 127, 2016

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