PDB: 31489 件ウェブページステータス検索Chemie searchBIRD

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5N57	Staphylococcus aureus cambialistic superoxide dismutase SodM 分子名称: MANGANESE (II) ION, Superoxide dismutase 著者 Barwinska-Sendra, A, Basle, A, Waldron, K. 登録日 2017-02-13 公開日 2018-03-07 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 A charge polarization model for the metal-specific activity of superoxide dismutases. Phys Chem Chem Phys, 20, 2018
5MZI	Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid 分子名称: 3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... 著者 Rowland, P. 登録日 2017-01-31 公開日 2017-04-19 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.71 Å) 主引用文献 Development of a Series of Kynurenine 3-Monooxygenase Inhibitors Leading to a Clinical Candidate for the Treatment of Acute Pancreatitis. J. Med. Chem., 60, 2017
6STJ	Selective Affimers Recognize BCL-2 Family Proteins Through Non-Canonical Structural Motifs 分子名称: Cystatin domain-containing protein, Induced myeloid leukemia cell differentiation protein Mcl-1 著者 Hobor, F, Miles, J.A, Trinh, C.H, Taylor, J, Tiede, C, Rowell, P.R, Jackson, B, Nadat, F, Kyle, H.F, Wicky, B.I.M, Clarke, J, Tomlinson, D.C, Wilson, A.J, Edwards, T.A. 登録日 2019-09-10 公開日 2020-09-30 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Selective Affimers Recognise the BCL-2 Family Proteins BCL-x L and MCL-1 through Noncanonical Structural Motifs*. Chembiochem, 22, 2021
5MZT	X-ray structure of the H235Q mutant of GLIC in complex with bromoform 分子名称: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... 著者 Fourati, Z, Delarue, M. 登録日 2017-02-01 公開日 2018-02-14 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 X-ray structure of the H235Q mutant of GLIC in complex with bromoform To Be Published
5N0S	Crystal structure of OphA-DeltaC6 mutant Y98A in complex with SAM 分子名称: MALONATE ION, Peptide N-methyltransferase, S-ADENOSYLMETHIONINE 著者 Song, H, Naismith, J.H. 登録日 2017-02-03 公開日 2018-02-14 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 A molecular mechanism for the enzymatic methylation of nitrogen atoms within peptide bonds. Sci Adv, 4, 2018
6SXV	GH51 a-l-arabinofuranosidase soaked with aziridine inhibitor 分子名称: 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, DI(HYDROXYETHYL)ETHER, GH51 a-l-arabinofuranosidase, ... 著者 McGregor, N.G.S, Davies, G.J. 登録日 2019-09-26 公開日 2020-02-26 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.402 Å) 主引用文献 Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining alpha-l-Arabinofuranosidases. J.Am.Chem.Soc., 142, 2020
5N75	14-3-3 sigma in complex with TAZ pS89 peptide 分子名称: 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ... 著者 Sijbesma, E, Leysen, S, Ottmann, C. 登録日 2017-02-19 公開日 2017-07-19 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.803 Å) 主引用文献 Identification of Two Secondary Ligand Binding Sites in 14-3-3 Proteins Using Fragment Screening. Biochemistry, 56, 2017
5N2G	Structure of the E9 DNA polymerase from vaccinia virus in complex with manganese 分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... 著者 Tarbouriech, N, Burmeister, W.P, Iseni, F. 登録日 2017-02-07 公開日 2017-11-29 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.78 Å) 主引用文献 The vaccinia virus DNA polymerase structure provides insights into the mode of processivity factor binding. Nat Commun, 8, 2017
5N2S	Crystal structure of stabilized A1 receptor in complex with PSB36 at 3.3A resolution 分子名称: 1-butyl-3-(3-oxidanylpropyl)-8-[(1~{R},5~{S})-3-tricyclo[3.3.1.0^{3,7}]nonanyl]-7~{H}-purine-2,6-dione, SULFATE ION, Soluble cytochrome b562,Adenosine receptor A1 著者 Cheng, R.K.Y, Segala, E, Robertson, N, Deflorian, F, Dore, A.S, Errey, J.C, Fiez-Vandal, C, Marshall, F.H, Cooke, R.M. 登録日 2017-02-08 公開日 2017-07-26 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (3.303 Å) 主引用文献 Structures of Human A1 and A2A Adenosine Receptors with Xanthines Reveal Determinants of Selectivity. Structure, 25, 2017
5N88	Crystal structure of antibody bound to viral protein 分子名称: PC4 and SFRS1-interacting protein, VH59 antibody 著者 Bao, L, Hannon, C, Cruz-Migoni, A, Ptchelkine, D, Sun, M.-y, Derveni, M, Bunjobpol, W, Chambers, J.S, Simmons, A, Phillips, S.E.V, Rabbitts, T.H. 登録日 2017-02-23 公開日 2017-12-20 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Intracellular immunization against HIV infection with an intracellular antibody that mimics HIV integrase binding to the cellular LEDGF protein. Sci Rep, 7, 2017
6RB7	Ruminococcus gnavus sialic acid aldolase catalytic lysine mutant 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BICINE, DI(HYDROXYETHYL)ETHER, ... 著者 Owen, C.D, Bell, A, Juge, N, Walsh, M.A. 登録日 2019-04-09 公開日 2019-09-25 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Elucidation of a sialic acid metabolism pathway in mucus-foraging Ruminococcus gnavus unravels mechanisms of bacterial adaptation to the gut. Nat Microbiol, 4, 2019
6RBO	Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative 分子名称: 9-hex-5-ynylpurin-6-amine, CITRIC ACID, NAD kinase 1 著者 Gelin, M, Labesse, G. 登録日 2019-04-11 公開日 2020-02-19 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.941 Å) 主引用文献 From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus. Acs Infect Dis., 6, 2020
6RBV	Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative 分子名称: 9-(3-azidopropyl)-8-bromanyl-purin-6-amine, CITRIC ACID, NAD kinase 1 著者 Gelin, M, Labesse, G. 登録日 2019-04-11 公開日 2020-02-19 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.29 Å) 主引用文献 From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus. Acs Infect Dis., 6, 2020
5N4D	Prolyl oligopeptidase B from Galerina marginata bound to 25mer macrocyclization substrate - D661A mutant 分子名称: Alpha-amanitin proprotein, GLYCEROL, Prolyl oligopeptidase 著者 Czekster, C.M, McMahon, S.A, Ludewig, H, Naismith, J.H. 登録日 2017-02-10 公開日 2017-11-01 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 Characterization of a dual function macrocyclase enables design and use of efficient macrocyclization substrates. Nat Commun, 8, 2017
6RC5	Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative 分子名称: 9-ethyl-8-ethynyl-purin-6-amine, CITRIC ACID, NAD kinase 1 著者 Gelin, M, Labesse, G. 登録日 2019-04-11 公開日 2020-02-19 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.038 Å) 主引用文献 From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus. Acs Infect Dis., 6, 2020
5N5D	Crystal Structure of the O-Methyltransferase TomG from Streptomyces achromogenes involved in Tomaymycin synthesis in complex with SAM 分子名称: (R,R)-2,3-BUTANEDIOL, GLYCEROL, Methyltransferase, ... 著者 Pippel, J, Blankenfeldt, W. 登録日 2017-02-13 公開日 2017-09-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Total Biosynthesis of the Pyrrolo[4,2]benzodiazepine Scaffold Tomaymycin on an In Vitro Reconstituted NRPS System. Cell Chem Biol, 24, 2017
6R45	Crystal structure of eukaryotic O-GlcNAcase HAT-like domain 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, O-GlcNAcase 著者 Raimi, O.G, Gorelik, A, Hopkins-Navratilova, I, Aristotelous, T, Ferenbach, A, vanAalten, D. 登録日 2019-03-21 公開日 2020-04-08 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.784 Å) 主引用文献 Crystal structure of eukaryotic O-GlcNAcase HAT-like domain To Be Published
5NAG	Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-{5-chloro-6-[(1R)-1-(pyridin-2-yl)ethoxy]-1,2-benzoxazol-3-yl}propanoic acid 分子名称: 3-[5-chloranyl-6-[(1~{R})-1-pyridin-2-ylethoxy]-1,2-benzoxazol-3-yl]propanoic acid, FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase 著者 Rowland, P. 登録日 2017-02-27 公開日 2017-06-21 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 Structural and mechanistic basis of differentiated inhibitors of the acute pancreatitis target kynurenine-3-monooxygenase. Nat Commun, 8, 2017
6RCC	Domain C P140 Mycoplasma genitalium 分子名称: Adhesin P1, CHLORIDE ION, SODIUM ION 著者 Vizarraga, D, Aparicio, D, Perez, R, Illanes, R, Fita, I. 登録日 2019-04-11 公開日 2020-11-04 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 Alternative conformation of the C-domain of the P140 protein from Mycoplasma genitalium. Acta Crystallogr.,Sect.F, 76, 2020
5N8F	Serial Cu nitrite reductase structures at elevated cryogenic temperature, 240K. Dataset 1. 分子名称: COPPER (II) ION, Copper-containing nitrite reductase, SULFATE ION 著者 Horrell, S, Kekilli, D, Hough, M, Strange, R. 登録日 2017-02-23 公開日 2017-07-26 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.38 Å) 主引用文献 Active-site protein dynamics and solvent accessibility in native Achromobacter cycloclastes copper nitrite reductase. IUCrJ, 4, 2017
6R5I	The crystal structure of the Glycoside Hydrolase BglX from P. aeruginosa 分子名称: MAGNESIUM ION, Periplasmic beta-glucosidase, SULFATE ION 著者 Batuecas, M.T, Hermoso, J.A. 登録日 2019-03-25 公開日 2020-04-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation. Acs Chem.Biol., 15, 2020
5N93	TTK kinase domain in complex with TC-Mps1-12 分子名称: 4-[[4-azanyl-6-(~{tert}-butylamino)-5-cyano-pyridin-2-yl]amino]benzamide, Dual specificity protein kinase TTK 著者 Uitdehaag, J, Willemsen-Seegers, N, de Man, J, Buijsman, R.C, Zaman, G.J.R. 登録日 2017-02-24 公開日 2017-05-31 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity. J. Mol. Biol., 429, 2017
5N96	Crystal Structure of Drosophila DHX36 helicase in complex with AGGGTTTTTT 分子名称: CG9323, isoform A, DNA (5'-D(P*AP*GP*GP*GP*TP*TP*TP*TP*TP*T)-3'), ... 著者 Chen, W.-F, Rety, S, Guo, H.-L, Wu, W.-Q, Liu, N.-N, Liu, Q.-W, Dai, Y.-X, Xi, X.-G. 登録日 2017-02-24 公開日 2018-03-14 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.716 Å) 主引用文献 Molecular Mechanistic Insights into Drosophila DHX36-Mediated G-Quadruplex Unfolding: A Structure-Based Model. Structure, 26, 2018
6R38	T. brucei FPPS in complex with 2-(2,5-dichlorobenzo[b]thiophen-3-yl)acetic acid 分子名称: 2-[2,5-bis(chloranyl)-1-benzothiophen-3-yl]ethanoic acid, DIMETHYL SULFOXIDE, Farnesyl pyrophosphate synthase 著者 Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W. 登録日 2019-03-19 公開日 2020-04-08 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.33 Å) 主引用文献 Targeting Trypanosoma brucei FPPS by Fragment-based drug discovery Thesis, 2019
5NCJ	GriE in complex with manganese, succinate and (2S,4R)-5-hydroxyleucine 分子名称: (2S,4R)-5-hydroxyleucine, Leucine hydroxylase, MANGANESE (II) ION, ... 著者 Lukat, P, Blankenfeldt, W, Mueller, R. 登録日 2017-03-05 公開日 2017-10-04 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.529 Å) 主引用文献 Biosynthesis of methyl-proline containing griselimycins, natural products with anti-tuberculosis activity. Chem Sci, 8, 2017

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