PDB: 31188 件ウェブページステータス検索Chemie searchBIRD

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6PK6	Human PRPF4B bound to benzothiophene inhibitor 329 分子名称: 4-(5-{[(2-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog 著者 Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) 登録日 2019-06-28 公開日 2019-08-28 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 to be published To Be Published
6PL9	Adduct formed after 1 month in the reaction of dichlorido(1,3-dimethylbenzimidaz ol-2-ylidene)(eta5-pentamethylcyclopentadienyl)rhodium(III) with HEWL 分子名称: 2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-rhodapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole, Lysozyme, SODIUM ION, ... 著者 Sullivan, M.P, Hartinger, C.G, Goldstone, D.C. 登録日 2019-06-30 公開日 2020-11-25 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Probing the Paradigm of Promiscuity for N-Heterocyclic Carbene Complexes and their Protein Adduct Formation. Angew.Chem.Int.Ed.Engl., 2021
6P4A	HyHEL10 Fab complexed with hen egg lysozyme carrying two mutations (HEL2x-rigid): R21Q and R73E 分子名称: HyHEL10 Fab heavy chain, HyHEL10 Fab light chain, Lysozyme C 著者 Langley, D.B, Christ, D. 登録日 2019-05-27 公開日 2020-05-27 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Conformational diversity facilitates antibody mutation trajectories and discrimination between foreign and self-antigens. Proc.Natl.Acad.Sci.USA, 117, 2020
6OS3	Crystal structure of native CymD prenyltransferase 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CymD prenyltransferase 著者 Roose, B.W, Christianson, D.W. 登録日 2019-05-01 公開日 2019-07-17 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structural Basis of Tryptophan Reverse N-Prenylation Catalyzed by CymD. Biochemistry, 58, 2019
6CLU	Staphylococcus aureus Dihydropteroate Synthase (saDHPS) F17L E208K double mutant structure 分子名称: Dihydropteroate synthase 著者 Gajewski, S, Griffith, E.C, Wu, Y, White, S.W. 登録日 2018-03-02 公開日 2018-08-22 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 The Structural and Functional Basis for Recurring Sulfa Drug Resistance Mutations inStaphylococcus aureusDihydropteroate Synthase. Front Microbiol, 9, 2018
6OLT	Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C12-crypto Acyl Carrier Protein, AcpP 分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, Acyl carrier protein, N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide 著者 Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P. 登録日 2019-04-17 公開日 2020-04-22 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Gating mechanism of elongating beta-ketoacyl-ACP synthases. Nat Commun, 11, 2020
6OOX	The crystal structure of 4-isopropylbenzoate bound to T252A mutant of CYP199A4 分子名称: 4-propan-2-ylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Coleman, T, Bruning, J.B, Bell, S.G. 登録日 2019-04-23 公開日 2020-04-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.774 Å) 主引用文献 Structural investigation of the interplay between the substrate and the acid-alcohol pair of residues in cytochrome P450 enzymes To Be Published
6CBA	Ethylene forming enzyme in complex with manganese, 2-oxoglutarate and canavanine 分子名称: 2-OXOGLUTARIC ACID, 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, L-CANAVANINE, ... 著者 Fellner, M, Martinez, S, Hu, J, Hausinger, R.P. 登録日 2018-02-02 公開日 2019-02-06 最終更新日 2024-04-17 実験手法 X-RAY DIFFRACTION (1.13 Å) 主引用文献 Structural, Spectroscopic, and Computational Insights from Canavanine-Bound and Two Catalytically Compromised Variants of the Ethylene-Forming Enzyme. Biochemistry, 2024
6CBI	PCNA in complex with inhibitor 分子名称: GLY-ARG-LYS-ARG-ARG-GLN-DAB-SER-MET-THR-GLU-PHE-TYR-HIS, Proliferating cell nuclear antigen, SULFATE ION 著者 Bruning, J.B, Wegener, K.L. 登録日 2018-02-03 公開日 2018-07-04 最終更新日 2020-01-29 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Rational Design of a 310-Helical PIP-Box Mimetic Targeting PCNA, the Human Sliding Clamp. Chemistry, 24, 2018
6OZX	Wild type GapR crystal structure 1 from C. crescentus 分子名称: UPF0335 protein CC_3319 著者 Tarry, M, Harmel, C, Taylor, J.A, Marczynski, G.T, Schmeing, T.M. 登録日 2019-05-16 公開日 2019-11-27 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.851 Å) 主引用文献 Structures of GapR reveal a central channel which could accommodate B-DNA. Sci Rep, 9, 2019
6C07	Crystal Structure of S-Adenosylmethionine synthetase (MetK/Mat) from Cryptosporidium parvum 分子名称: CHLORIDE ION, MAGNESIUM ION, POTASSIUM ION, ... 著者 Ohren, J.F, Viola, R.E. 登録日 2017-12-28 公開日 2019-01-16 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Structure of a critical metabolic enzyme: S-adenosylmethionine synthetase from Cryptosporidium parvum. Acta Crystallogr F Struct Biol Commun, 75, 2019
6O9B	Crystal structure of HLA-A3*01 in complex with a wild-type beta-catenin peptide 分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-2-microglobulin, ... 著者 Miller, M.S, Gabelli, S.B. 登録日 2019-03-13 公開日 2019-11-13 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 An engineered antibody fragment targeting mutant beta-catenin via major histocompatibility complex I neoantigen presentation. J.Biol.Chem., 294, 2019
6NWG	Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 3a 分子名称: ATP-dependent dethiobiotin synthetase BioD, [(1R,2R)-2-(2-methoxybenzene-1-carbonyl)cyclopentyl]propanedioic acid 著者 Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. 登録日 2019-02-06 公開日 2020-02-12 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.939 Å) 主引用文献 Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 3a To Be Published
6NLG	1.50 A resolution structure of BfrB (C89S/K96C) from Pseudomonas aeruginosa in complex with a small molecule fragment (analog 1) 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-hydroxy-1H-isoindole-1,3(2H)-dione, Bacterioferritin, ... 著者 Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M. 登録日 2019-01-08 公開日 2019-05-08 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity. J.Am.Chem.Soc., 141, 2019
6NP6	Crystal structure of the sensor domain of the transcriptional regulator HcpR from Porphyromonas Gingivalis 分子名称: Crp/Fnr family transcriptional regulator, GLYCEROL 著者 Musayev, F.N, Belvin, B.R, Escalante, C.R, Turner, J, Scarsdale, J.N, Lewis, J.P. 登録日 2019-01-17 公開日 2019-06-26 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Nitrosative Stress Sensing in Porphyromonas gingivalis: Structure and Mechanisms of the Heme Binding Transcriptional Regulator HcpR. Acta Crystallogr D Struct Biol, 75, 2019
6NLK	1.85 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 13) 分子名称: 4-{[3-(4-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione, FE (II) ION, Ferroxidase, ... 著者 Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M. 登録日 2019-01-08 公開日 2019-05-08 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity. J.Am.Chem.Soc., 141, 2019
6NNE	Crystal structure of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with diaverdine 分子名称: 5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine, COBALT (II) ION, Dihydrofolate reductase, ... 著者 Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. 登録日 2019-01-14 公開日 2019-07-17 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.595 Å) 主引用文献 Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates. Acta Crystallogr D Struct Biol, 75, 2019
6O1A	Alpha-L-fucosidase AlfC from Lactobacillus casei in complex with alpha-L-fucose product 分子名称: AlfC, beta-L-fucopyranose 著者 Klontz, E.H, Sundberg, E.J. 登録日 2019-02-18 公開日 2020-02-19 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structure and dynamics of an alpha-fucosidase reveal a mechanism for highly efficient IgG transfucosylation. Nat Commun, 11, 2020
6BU0	Crystal structure of the PI3KC2alpha C2 domain in complex with IP6 分子名称: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, FORMIC ACID, INOSITOL HEXAKISPHOSPHATE, ... 著者 Chen, K.-E, Collins, B.M. 登録日 2017-12-08 公開日 2018-10-17 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.427 Å) 主引用文献 Molecular Basis for Membrane Recruitment by the PX and C2 Domains of Class II Phosphoinositide 3-Kinase-C2 alpha. Structure, 26, 2018
6BUB	Crystal structure of the PI3KC2alpha PX domain in space group P432 分子名称: GLYCEROL, Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha, SULFATE ION 著者 Chen, K.-E, Collins, B.M. 登録日 2017-12-09 公開日 2018-10-17 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.604 Å) 主引用文献 Molecular Basis for Membrane Recruitment by the PX and C2 Domains of Class II Phosphoinositide 3-Kinase-C2 alpha. Structure, 26, 2018
6PNR	A GH31 family sulfoquinovosidase from E. rectale in complex with aza-sugar inhibitor IFGSQ 分子名称: Alpha-glucosidase, SULFATE ION, [(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)piperidin-3-yl]methanesulfonic acid 著者 Jarva, M.A, Lingford, J.P, John, A, Goddard-Borger, E.D. 登録日 2019-07-03 公開日 2020-07-08 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 A GH31 family sulfoquinovosidase from E. rectale in complex with aza-sugar inhibitor IFGSQ To Be Published
6C5Q	PPARg LBD bound to SR10171 分子名称: 2-{3-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]phenoxy}-2-methylpropanoic acid, Peroxisome proliferator-activated receptor gamma 著者 Bruning, J.B, Frkic, R.L. 登録日 2018-01-16 公開日 2018-08-01 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.404 Å) 主引用文献 PPAR gamma in Complex with an Antagonist and Inverse Agonist: a Tumble and Trap Mechanism of the Activation Helix. iScience, 5, 2018
6PRR	The crystal structure of 3-methylaminobenzoate-bound CYP199A4 分子名称: 3-(methylamino)benzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Podgorski, M.N, Bruning, J.B, Bell, S.G. 登録日 2019-07-11 公開日 2019-11-27 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions. J.Inorg.Biochem., 203, 2019
6C5T	PPARg LBD bound to SR11023 分子名称: 2-{4-[(5-{[(1R)-1-(3-cyclopropylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]phenyl}-2-methylpropanoic acid, Peroxisome proliferator-activated receptor gamma 著者 Bruning, J.B, Frkic, R.L, Griffin, P.R. 登録日 2018-01-16 公開日 2018-08-01 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 PPAR gamma in Complex with an Antagonist and Inverse Agonist: a Tumble and Trap Mechanism of the Activation Helix. iScience, 5, 2018
6CUH	Crystal structure of the unliganded BC8B TCR 分子名称: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... 著者 Shahine, A.E, Rossjohn, J. 登録日 2018-03-26 公開日 2019-01-16 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.01 Å) 主引用文献 A T-cell receptor escape channel allows broad T-cell response to CD1b and membrane phospholipids. Nat Commun, 10, 2019

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