PDB: 5591 件ウェブページステータス検索Chemie searchBIRD

---

6MNZ	Crystal structure of RibBX, a two domain 3,4-dihydroxy-2-butanone 4-phosphate synthase from A. baumannii. 分子名称: 3,4-dihydroxy-2-butanone 4-phosphate synthase, CHLORIDE ION, SULFATE ION 著者 Wang, J, Gonzalez-Gutierrez, G, Giedroc, D.P. 登録日 2018-10-03 公開日 2019-04-17 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.66 Å) 主引用文献 Multi-metal Restriction by Calprotectin Impacts De Novo Flavin Biosynthesis in Acinetobacter baumannii. Cell Chem Biol, 26, 2019
8WM0	Crystal structure of TNIK-thiopeptide wTP3 complex 分子名称: ADENOSINE, THIOPEPTIDE wTP3, TRAF2 and NCK-interacting protein kinase 著者 Hamada, K, Kobayashi, S, Vinogradov, A.A, Zhang, Y, Goto, Y, Suga, H, Ogata, K, Sengoku, T. 登録日 2023-10-01 公開日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 A Compact Reprogrammed Genetic Code for De Novo Discovery of Proteolytically Stable Thiopeptides. J.Am.Chem.Soc., 2024
8GSA	Solution structure of holo acyl carrier protein A from Enterococcus faecalis 分子名称: Acyl carrier protein 著者 Yeon, J, Kim, Y. 登録日 2022-09-05 公開日 2023-03-29 最終更新日 2024-05-08 実験手法 SOLUTION NMR 主引用文献 Structural study of acyl carrier protein of Enterococcus faecalis and its interaction with enzymes in de novo fatty acid synthesis. Biochem.Biophys.Res.Commun., 637, 2022
5K7H	Crystal structure of AibR in complex with the effector molecule isovaleryl coenzyme A 分子名称: CHLORIDE ION, Isovaleryl-coenzyme A, NICKEL (II) ION, ... 著者 Bock, T, Volz, C, Mueller, R, Blankenfeldt, W. 登録日 2016-05-26 公開日 2016-12-21 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 The AibR-isovaleryl coenzyme A regulator and its DNA binding site - a model for the regulation of alternative de novo isovaleryl coenzyme A biosynthesis in Myxococcus xanthus. Nucleic Acids Res., 45, 2017
5KEZ	Selective and potent inhibition of the glycosidase human amylase by the short and extremely compact peptide piHA from mRNA display 分子名称: ACE-DTY-PRO-TYR-SER-CYS-TRP-VAL-ARG-HIS-NH2, CALCIUM ION, CHLORIDE ION, ... 著者 Caner, S, Brayer, G.D. 登録日 2016-06-10 公開日 2017-03-29 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 Rapid Discovery of Potent and Selective Glycosidase-Inhibiting De Novo Peptides. Cell Chem Biol, 24, 2017
5JD2	SFX structure of corestreptavidin-selenobiotin complex 分子名称: 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-selenopheno[3,4-d]imidazol-4-yl]pentanoic acid, Streptavidin 著者 DeMirci, H, Hunter, M.S, Boutet, S. 登録日 2016-04-15 公開日 2016-11-16 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Selenium single-wavelength anomalous diffraction de novo phasing using an X-ray-free electron laser. Nat Commun, 7, 2016
5K7F	Crystal structure of apo AibR 分子名称: ACETATE ION, Transcriptional regulator, TetR family 著者 Bock, T, Volz, C, Mueller, R, Blankenfeldt, W. 登録日 2016-05-26 公開日 2016-12-21 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 The AibR-isovaleryl coenzyme A regulator and its DNA binding site - a model for the regulation of alternative de novo isovaleryl coenzyme A biosynthesis in Myxococcus xanthus. Nucleic Acids Res., 45, 2017
6DHY	Crystallogrpahic tetramer of Zn-bound RIDC1 variant bearing two disulfide bonded cysteines 分子名称: CALCIUM ION, HEME C, Soluble cytochrome b562, ... 著者 Tezcan, F.A, Churchfield, L.A. 登録日 2018-05-21 公開日 2018-07-25 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.22 Å) 主引用文献 Determining the Structural and Energetic Basis of Allostery in a De Novo Designed Metalloprotein Assembly. J. Am. Chem. Soc., 140, 2018
6DHZ	Crystallographic octamer of a metal-free RIDC1 variant bearing two disulfide bonded cysteines 分子名称: CALCIUM ION, HEME C, Soluble cytochrome b562 著者 Tezcan, F.A, Churchfield, L.A. 登録日 2018-05-21 公開日 2018-07-25 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Determining the Structural and Energetic Basis of Allostery in a De Novo Designed Metalloprotein Assembly. J. Am. Chem. Soc., 140, 2018
6BRR	Crystal structure of DNMT3A (R836A)-DNMT3L in complex with DNA containing two CpG sites 分子名称: DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3A, ... 著者 Zhang, Z.M, Song, J. 登録日 2017-11-30 公開日 2018-01-31 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.97 Å) 主引用文献 Structural basis for DNMT3A-mediated de novo DNA methylation. Nature, 554, 2018
3S2S	The crystal structure of pyrazinamidase/nicotinamidase from streptococcus mutans UA159 分子名称: CACODYLIC ACID, Putative pyrazinamidase/nicotinamidase, ZINC ION 著者 Su, X.-D, Liu, X, Zhang, H. 登録日 2011-05-17 公開日 2012-05-16 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Get phases from arsenic anomalous scattering: de novo SAD phasing of two protein structures crystallized in cacodylate buffer Plos One, 6, 2011
3S70	Crystal structure of active caspase-6 bound with Ac-VEID-CHO solved by As-SAD 分子名称: ACETATE ION, CACODYLATE ION, Caspase-6, ... 著者 Su, X.-D, Liu, X, Wang, X.-J. 登録日 2011-05-26 公開日 2012-04-11 最終更新日 2012-12-12 実験手法 X-RAY DIFFRACTION (1.625 Å) 主引用文献 Get phases from arsenic anomalous scattering: de novo SAD phasing of two protein structures crystallized in cacodylate buffer Plos One, 6, 2011
6W3D	Rd1NTF2_05 with long sheet 分子名称: Rd1NTF2_05 著者 Bick, M.J, Basanta, B, Sankaran, B, Baker, D. 登録日 2020-03-09 公開日 2020-04-15 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.38 Å) 主引用文献 An enumerative algorithm for de novo design of proteins with diverse pocket structures. Proc.Natl.Acad.Sci.USA, 117, 2020
6W3G	Rd1NTF2_04 with long sheet 分子名称: Rd1NTF2_04 著者 Bick, M.J, Basanta, B, Sankaran, B, Baker, D. 登録日 2020-03-09 公開日 2020-04-15 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 An enumerative algorithm for de novo design of proteins with diverse pocket structures. Proc.Natl.Acad.Sci.USA, 117, 2020
6W3F	Rd1NTF2_05_I64F_A80G_T94P_D101K_L106W 分子名称: Rd1NTF2_05_I64F_A80G_T94P_D101K_L106W 著者 Bick, M.J, Basanta, B, Sankaran, B, Baker, D. 登録日 2020-03-09 公開日 2020-04-15 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 An enumerative algorithm for de novo design of proteins with diverse pocket structures. Proc.Natl.Acad.Sci.USA, 117, 2020
7BX2	The solution NMR structure of VV14 peptide in the presence of Deuterated SDS micelle. 分子名称: VAL-LYS-TRP-VAL-LYS-LYS-VAL-VAL-LYS-TRP-VAL-LYS-LYS-VAL 著者 Bhunia, A, Mohid, S.A, Chowdhury, N. 登録日 2020-04-16 公開日 2021-04-21 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Effect of Secondary Structure and Side Chain Length of Hydrophobic Amino Acid Residues on the Antimicrobial Activity and Toxicity of 14-Residue-Long de novo AMPs. Chemmedchem, 16, 2021
6PLF	Crystal structure of human PHGDH complexed with Compound 1 分子名称: 1,2-ETHANEDIOL, 4-{(1S)-1-[(5-chloro-6-{[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy}-1H-indole-2-carbonyl)amino]-2-hydroxyethyl}benzoic acid, D-3-phosphoglycerate dehydrogenase 著者 Olland, A, Lakshminarasimhan, D, White, A, Suto, R.K. 登録日 2019-06-30 公開日 2019-07-24 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells. Bioorg.Med.Chem.Lett., 29, 2019
6PLG	Crystal structure of human PHGDH complexed with Compound 15 分子名称: (2S)-(4-{3-[(4,5-dichloro-1-methyl-1H-indole-2-carbonyl)amino]oxetan-3-yl}phenyl)(pyridin-3-yl)acetic acid, D-3-phosphoglycerate dehydrogenase, D-MALATE 著者 Olland, A, Lakshminarasimhan, D, White, A, Suto, R.K. 登録日 2019-06-30 公開日 2019-07-24 最終更新日 2019-09-04 実験手法 X-RAY DIFFRACTION (2.93 Å) 主引用文献 Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells. Bioorg.Med.Chem.Lett., 29, 2019
6RA4	Human ARGONAUTE-2 PAZ DOMAIN (214-347) IN COMPLEX WITH CGUGACUCU 分子名称: GLYCEROL, Protein argonaute-2, RNA (5'-R(*CP*GP*UP*GP*AP*CP*UP*CP*U)-3') 著者 Rondeau, J.-M, Bourgier, E. 登録日 2019-04-05 公開日 2019-05-08 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 How to Computationally Stack the Deck for Hit-to-Lead Generation: In Silico Molecular Interaction Energy Profiling for de Novo siRNA Guide Strand Surrogate Selection. J.Chem.Inf.Model., 59, 2019
8AP1	Cryo-EM structure of yeast mitochondrial RNA polymerase transcription initiation complex with two GTP molecules poised for de novo initiation (IC2) 分子名称: DNA-directed RNA polymerase, mitochondrial, GUANOSINE-5'-TRIPHOSPHATE, ... 著者 Goovaerts, Q, Shen, J, Patel, S.S, Das, K. 登録日 2022-08-09 公開日 2023-08-23 最終更新日 2023-11-01 実験手法 ELECTRON MICROSCOPY (3.47 Å) 主引用文献 Structures illustrate step-by-step mitochondrial transcription initiation. Nature, 622, 2023
4ONJ	Crystal structure of the catalytic domain of ntDRM 分子名称: DNA methyltransferase, SINEFUNGIN 著者 Du, J, Patel, D.J. 登録日 2014-01-28 公開日 2014-06-04 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.807 Å) 主引用文献 Molecular Mechanism of Action of Plant DRM De Novo DNA Methyltransferases. Cell(Cambridge,Mass.), 157, 2014
4ONQ	Crystal structure of ntDRM E283S/R309S/F310S/Y590S/D591S mutant 分子名称: DNA methyltransferase, SINEFUNGIN 著者 Du, J, Patel, D.J. 登録日 2014-01-28 公開日 2014-06-04 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.502 Å) 主引用文献 Molecular Mechanism of Action of Plant DRM De Novo DNA Methyltransferases. Cell(Cambridge,Mass.), 157, 2014
4E8U	Crystal structure of Arabidopsis IDN2 XS domain along with a small segment of adjacent coiled-coil region 分子名称: Putative uncharacterized protein T8P19.180, SULFATE ION 著者 Simanshu, D.K, Patel, D.J. 登録日 2012-03-20 公開日 2012-06-06 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.701 Å) 主引用文献 INVOLVED IN DE NOVO 2-containing complex involved in RNA-directed DNA methylation in Arabidopsis. Proc.Natl.Acad.Sci.USA, 109, 2012
4N3P	Crystal Structure of De Novo designed Serine Hydrolase OSH18, Northeast Structural Genomics Consortium (NESG) Target OR396 分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, SODIUM ION, ... 著者 Kuzin, A, Lew, S, Rajagopalan, S, Seetharaman, J, Mao, L, Xiao, R, Kogan, S, Maglaqui, M, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) 登録日 2013-10-07 公開日 2013-11-13 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (2.501 Å) 主引用文献 Crystal Structure of De Novo designed Serine Hydrolase OSH18, Northeast Structural Genomics Consortium (NESG) Target OR396 To be Published
2N2T	Solution NMR Structure of DE NOVO DESIGNED PROTEIN (FDA_60), Northeast Structural Genomics Consortium (NESG) Target OR303 分子名称: OR303 著者 Liu, G, Lin, Y, Koga, N, Koga, R, Xiao, R, Janjua, H, Hamilton, K, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) 登録日 2015-05-14 公開日 2015-09-16 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Solution NMR Structure of DE NOVO DESIGNED PROTEIN (FDA_60), Northeast Structural Genomics Consortium (NESG) Target OR303 To be Published

<15161718192021222324252627282930>