PDB: 36939 件ウェブページステータス検索Chemie searchBIRD

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4DJW	Structure of BACE Bound to 2-imino-3-methyl-5-phenyl-5-(3-(pyridin-3-yl)phenyl)imidazolidin-4-one 分子名称: (2E,5R)-2-imino-3-methyl-5-phenyl-5-[3-(pyridin-3-yl)phenyl]imidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID 著者 Strickland, C, Cumming, J. 登録日 2012-02-02 公開日 2012-03-21 最終更新日 2012-04-04 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structure based design of iminohydantoin BACE1 inhibitors: Identification of an orally available, centrally active BACE1 inhibitor. Bioorg.Med.Chem.Lett., 22, 2012
7E6Q	Crystal structure of influenza A virus neuraminidase N5 complexed with 4'-phenyl-1,2,3-triazolylated oseltamivir carboxylate 分子名称: (3R,4R,5S)-4-acetamido-3-pentan-3-yloxy-5-(4-phenyl-1,2,3-triazol-1-yl)cyclohexene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... 著者 Wang, P.F, Babayemi, O.O, Li, C.N, Fu, L.F, Zhang, S.S, Qi, J.X, Lv, X, Li, X.B. 登録日 2021-02-23 公開日 2021-03-17 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structure-based design of 5'-substituted 1,2,3-triazolylated oseltamivir derivatives as potent influenza neuraminidase inhibitors. Rsc Adv, 11, 2021
6GN9	Crystal structure of a thioredoxin from Clostridium acetobutylicum at 1.75 A resolution 分子名称: ACETATE ION, Thioredoxin 著者 Buey, R.M, Fernandez-Justel, D, Balsera, M. 登録日 2018-05-30 公開日 2018-12-12 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Ferredoxin-linked flavoenzyme defines a family of pyridine nucleotide-independent thioredoxin reductases. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4DC7	Crystal Structure of Myoglobin Exposed to Excessive SONICC Imaging Laser Dose. 分子名称: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION 著者 Becker, M, Mulichak, A.M, Kissick, D.J, Fischetti, R.F, Keefe, L.J, Simpson, G.J. 登録日 2012-01-17 公開日 2013-01-23 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Towards protein-crystal centering using second-harmonic generation (SHG) microscopy. Acta Crystallogr.,Sect.D, 69, 2013
6GNQ	Monoclinic crystalline form of human insulin, complexed with meta-cresol 分子名称: 1,2-ETHANEDIOL, Insulin, M-CRESOL, ... 著者 Margiolaki, I, Karavassili, F, Valmas, A, Dimarogona, M, Giannopoulou, A.E, Fili, S, Schluckebier, G, Norrman, M, Beckers, D, Fitch, A.N. 登録日 2018-05-31 公開日 2019-06-12 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Monoclinic crystalline form of human insulin, complexed with meta-cresol To Be Published
6GJQ	human NBD1 of CFTR in complex with nanobody T27 分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, Nanobody T27 著者 Sigoillot, M, Overtus, M, Grodecka, M, Scholl, D, Garcia-Pino, A, Laeremans, T, He, L, Pardon, E, Hildebrandt, E, Urbatsch, I, Steyaert, J, Riordan, J.R, Govaerts, C. 登録日 2018-05-16 公開日 2019-06-19 最終更新日 2019-08-21 実験手法 X-RAY DIFFRACTION (2.49 Å) 主引用文献 Domain-interface dynamics of CFTR revealed by stabilizing nanobodies. Nat Commun, 10, 2019
4DD0	EVAL processed HEWL, cisplatin aqueous glycerol 分子名称: GLYCEROL, Lysozyme C 著者 Tanley, S.W, Schreurs, A.M, Kroon-Batenburg, L.M, Meredith, J, Prendergast, R, Walsh, D, Bryant, P, Levy, C, Helliwell, J.R. 登録日 2012-01-18 公開日 2012-04-25 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structural studies of the effect that dimethyl sulfoxide (DMSO) has on cisplatin and carboplatin binding to histidine in a protein. Acta Crystallogr.,Sect.D, 68, 2012
6GOF	KRAS full length G12D GPPNHP 分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER 著者 Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Ehebauer, M.T, Phillips, S.V.E, Rabbitts, T.H. 登録日 2018-06-01 公開日 2019-02-06 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
3N52	crystal Structure analysis of MIP2 分子名称: C-X-C motif chemokine 2 著者 Rajasekaran, D. 登録日 2010-05-24 公開日 2011-06-08 最終更新日 2017-11-08 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 A Model of GAG/MIP-2/CXCR2 Interfaces and Its Functional Effects. Biochemistry, 51, 2012
3N5C	Crystal Structure of Arf6DELTA13 complexed with GDP 分子名称: ADP-ribosylation factor 6, CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE 著者 Aizel, K, Biou, V, Cherfils, J. 登録日 2010-05-25 公開日 2010-08-18 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 SAXS and X-ray crystallography suggest an unfolding model for the GDP/GTP conformational switch of the small GTPase Arf6. J.Mol.Biol., 402, 2010
3N8M	Crystal Structure of the Grb2 SH2 Domain in Complex with An Acyclic Ligand Having the Sequence pYVNVP 分子名称: GLYCEROL, Growth factor receptor-bound protein 2, PEPTIDE 著者 Whiddon, B.B, Clements, J.H, Martin, S.F. 登録日 2010-05-28 公開日 2010-12-15 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Thermodynamic and Structural Effects of Macrocyclization as a Constraining Method in Protein-Ligand Interactions. ACS MED.CHEM.LETT., 1, 2010
6GNL	Zr(IV)-substituted Keggin directly binding to the side chain of Hen Egg-White Lysozyme (HEWL) 分子名称: CHLORIDE ION, Lysozyme C, ZIRCONIUM(IV) PHOSPHOTUNGSTATE KEGGIN 著者 Vandebroek, L, Van Meervelt, L, Parac-Vogt, T.N. 登録日 2018-05-31 公開日 2018-10-31 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.23 Å) 主引用文献 Direct observation of the ZrIVinteraction with the carboxamide bond in a noncovalent complex between Hen Egg White Lysozyme and a Zr-substituted Keggin polyoxometalate. Acta Crystallogr C Struct Chem, 74, 2018
6GOH	X-ray structure of the adduct formed upon reaction of lysozyme with a Pt(II) complex bearing N,N-pyridylbenzimidazole derivative with an alkylated sulphonate side chain 分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, Lysozyme C, ... 著者 Merlino, A, Ferraro, G. 登録日 2018-06-01 公開日 2018-07-25 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.43 Å) 主引用文献 Exploring the interactions between model proteins and Pd(ii) or Pt(ii) compounds bearing charged N,N-pyridylbenzimidazole bidentate ligands by X-ray crystallography. Dalton Trans, 47, 2018
4DQ4	Bovine beta-lactoglobulin complex with linoleic acid 分子名称: Beta-lactoglobulin, ETHANOL, GLYCEROL, ... 著者 Loch, J.I, Lewinski, K. 登録日 2012-02-15 公開日 2012-02-29 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Binding of 18-carbon unsaturated fatty acids to bovine beta-lactoglobulin--structural and thermodynamic studies. Int.J.Biol.Macromol., 57, 2013
3NC7	CYP134A1 2-phenylimidazole bound structure 分子名称: 2-phenyl-1H-imidazole, Cytochrome P450 cypX, MAGNESIUM ION, ... 著者 Cryle, M.J, Schlichting, I. 登録日 2010-06-04 公開日 2010-08-11 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 Structural and biochemical characterization of the cytochrome P450 CypX (CYP134A1) from Bacillus subtilis: a cyclo-L-leucyl-L-leucyl dipeptide oxidase. Biochemistry, 49, 2010
4DLR	H-Ras PEG 400/Ca(OAc)2, ordered off 分子名称: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, CALCIUM ION, GTPase HRas, ... 著者 Holzapfel, G, Mattos, C. 登録日 2012-02-06 公開日 2012-08-08 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.319 Å) 主引用文献 Shift in the Equilibrium between On and Off States of the Allosteric Switch in Ras-GppNHp Affected by Small Molecules and Bulk Solvent Composition. Biochemistry, 51, 2012
3NDA	Crystal structure of serpin from tick Ixodes ricinus 分子名称: PENTAETHYLENE GLYCOL, Serpin-2 著者 Rezacova, P, Kovarova, Z, Chmelar, J, Mares, M. 登録日 2010-06-07 公開日 2010-10-27 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 A tick salivary protein targets cathepsin G and chymase and inhibits host inflammation and platelet aggregation. Blood, 117, 2011
4DLY	Set 1 CaCl2/DTT, ordered off 分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CALCIUM ION, GTPase HRas, ... 著者 Holzapfel, G, Mattos, C. 登録日 2012-02-06 公開日 2012-08-08 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 Shift in the Equilibrium between On and Off States of the Allosteric Switch in Ras-GppNHp Affected by Small Molecules and Bulk Solvent Composition. Biochemistry, 51, 2012
3NDW	HIV-1 Protease Saquinavir:Ritonavir 1:15 complex structure 分子名称: ACETATE ION, DIMETHYL SULFOXIDE, Protease, ... 著者 Geremia, S, Olajuyigbe, F.M, Demitri, N. 登録日 2010-06-08 公開日 2011-07-20 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.14 Å) 主引用文献 Investigation of 2-Fold Disorder of Inhibitors and Relative Potency by Crystallizations of HIV-1 Protease in Ritonavir and Saquinavir Mixtures Cryst.Growth Des., 11, 2011
3NE4	1.8 Angstrom structure of intact native wild-type alpha-1-antitrypsin 分子名称: Alpha-1-antitrypsin 著者 Patschull, A.O.M, Gooptu, B, Segu, L. 登録日 2010-06-08 公開日 2011-12-14 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.81 Å) 主引用文献 Therapeutic target-site variability in [alpha]1-antitrypsin characterized at high resolution Acta Crystallogr.,Sect.F, 67, 2011
4DBK	Crystal structure of porcine pancreatic phospholipase A2 complexed with berberine 分子名称: BERBERINE, CALCIUM ION, Phospholipase A2, ... 著者 Naveen, C.D, Abhilash, J, Prasanth, G.K, Sadasivan, C, Haridas, M. 登録日 2012-01-16 公開日 2012-01-25 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Crystal structure of porcine pancreatic phospholipase A2 complexed with berberine To be Published
3NDF	Cleaved antitrypsin with P8-P6 Asp 分子名称: Alpha-1-antitrypsin 著者 Huntington, J.A, Sendall, T.J, Yamasaki, M. 登録日 2010-06-07 公開日 2010-07-28 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Loop-sheet mechanism of serpin polymerization tested by reactive center loop mutations J. Biol. Chem., 285, 2010
3NDU	HIV-1 Protease Saquinavir:Ritonavir 1:5 complex structure 分子名称: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, ACETATE ION, CHLORIDE ION, ... 著者 Geremia, S, Olajuyigbe, F.M, Demitri, N. 登録日 2010-06-08 公開日 2011-07-20 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Investigation of 2-Fold Disorder of Inhibitors and Relative Potency by Crystallizations of HIV-1 Protease in Ritonavir and Saquinavir Mixtures Cryst.Growth Des., 11, 2011
4DDB	EVAL processed HEWL, cisplatin DMSO paratone pH 6.5 分子名称: Cisplatin, DIMETHYL SULFOXIDE, Lysozyme C 著者 Tanley, S.W, Schreurs, A.M, Kroon-Batenburg, L.M, Meredith, J, Prendergast, R, Walsh, D, Bryant, P, Levy, C, Helliwell, J.R. 登録日 2012-01-18 公開日 2012-04-25 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Structural studies of the effect that dimethyl sulfoxide (DMSO) has on cisplatin and carboplatin binding to histidine in a protein. Acta Crystallogr.,Sect.D, 68, 2012
4DQF	Crystal Structure of (G16A/L38A) HIV-1 Protease in Complex with DRV 分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, 1,2-ETHANEDIOL, Aspartyl protease, ... 著者 Schiffer, C.A, Mittal, S. 登録日 2012-02-15 公開日 2012-03-07 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease. J.Am.Chem.Soc., 134, 2012

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