PDB: 47120 件ウェブページステータス検索Chemie searchBIRD

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7UAS	Discovery of Potent Orally Bioavailable WD Repeat Domain 5 (WDR5) Inhibitors Using a Pharmacophore-Based Optimization 分子名称: (5P)-2-[(S)-cyclopropyl(4-methylpyridin-2-yl)methyl]-5-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, WD repeat-containing protein 5 著者 Zhao, B. 登録日 2022-03-14 公開日 2022-05-04 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.808 Å) 主引用文献 Discovery of Potent Orally Bioavailable WD Repeat Domain 5 (WDR5) Inhibitors Using a Pharmacophore-Based Optimization. J.Med.Chem., 65, 2022
2JGK	Crystal structure of mouse acetylcholinesterase inhibited by aged fenamiphos 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, HEXAETHYLENE GLYCOL 著者 Hornberg, A, Tunemalm, A.-K, Ekstrom, F. 登録日 2007-02-13 公開日 2007-04-17 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Crystal Structures of Acetylcholinesterase in Complex with Organophosphorus Compounds Suggest that the Acyl Pocket Modulates the Aging Reaction by Precluding the Formation of the Trigonal Bipyramidal Transition State. Biochemistry, 46, 2007
2O56	Crystal Structure of a Member of the Enolase Superfamily from Salmonella Typhimurium 分子名称: MAGNESIUM ION, Putative mandelate racemase 著者 Patskovsky, Y, Sauder, J.M, Dickey, M, Adams, J.M, Ozyurt, S, Wasserman, S.R, Gerlt, J, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) 登録日 2006-12-05 公開日 2006-12-12 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal Structure of Putative Enolase from Salmonella Typhimurium Lt2 To be Published
7BAR	Crystal structure of the cAMP-dependent protein kinase A with a chiral ligand (S- and E-configuration, soaked) 分子名称: (S,E)-3-(2-(3-bromo-4-hydroxybenzylidene)hydrazineyl)-2-(3-chlorophenyl)-3-oxopropan-1-aminium, cAMP-dependent protein kinase catalytic subunit alpha 著者 Oebbeke, M, Heine, A, Klebe, G. 登録日 2020-12-16 公開日 2022-01-12 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.37 Å) 主引用文献 Crystal structure of the cAMP-dependent protein kinase A with a chiral ligand (S- and E-configuration, soaked) To Be Published
7LXG	Homocitrullinated beta-lactamase OXA-48 分子名称: Beta-lactamase, CHLORIDE ION, SULFATE ION 著者 Serrano-Negron, J.E, King, D.T, Vocadlo, D.J. 登録日 2021-03-03 公開日 2022-05-25 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Chemoproteomic identification of CO 2 -dependent lysine carboxylation in proteins. Nat.Chem.Biol., 18, 2022
5LY5	Arcadin-1 from Pyrobaculum calidifontis 分子名称: arcadin-1 著者 Izore, T, Lowe, J. 登録日 2016-09-23 公開日 2017-01-18 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crenactin forms actin-like double helical filaments regulated by arcadin-2. Elife, 5, 2016
3JT3	Structure of neuronal nitric oxide synthase heme domain complexed with N~5~-[2-(methylsulfanyl)ethanimidoyl]-L-ornithine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ... 著者 Li, H, Poulos, T.L. 登録日 2009-09-11 公開日 2010-01-12 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Heme-coordinating inhibitors of neuronal nitric oxide synthase. Iron-thioether coordination is stabilized by hydrophobic contacts without increased inhibitor potency. J.Am.Chem.Soc., 132, 2010
7UPI	Cryo-EM structure of SHOC2-PP1c-MRAS holophosphatase complex 分子名称: CHLORIDE ION, GUANOSINE-5'-TRIPHOSPHATE, Leucine-rich repeat protein SHOC-2, ... 著者 Fuller, J.R, Hajian, B, Lemke, C, Kwon, J, Bian, Y, Aguirre, A. 登録日 2022-04-15 公開日 2022-05-04 最終更新日 2024-06-12 実験手法 ELECTRON MICROSCOPY (2.89 Å) 主引用文献 Structure-function analysis of the SHOC2-MRAS-PP1C holophosphatase complex. Nature, 609, 2022
7DOC	Crystal structure of Zika NS2B-NS3 protease with compound 5 分子名称: 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, Core protein, Genome polyprotein, ... 著者 Quek, J.P. 登録日 2020-12-14 公開日 2021-04-14 最終更新日 2024-07-10 実験手法 X-RAY DIFFRACTION (1.904 Å) 主引用文献 2-Cyanoisonicotinamide Conjugation: A Facile Approach to Generate Potent Peptide Inhibitors of the Zika Virus Protease. Acs Med.Chem.Lett., 12, 2021
7LDY	HIV-1 Protease WT (NL4-3) in Complex with TMC-126 分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]CARBAMATE, Protease, SULFATE ION 著者 Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. 登録日 2021-01-14 公開日 2022-07-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.984 Å) 主引用文献 HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues To Be Published
7DLA	Crystal structure of nucleoside transporter NupG (D323A mutant) 分子名称: Nucleoside permease NupG 著者 Wang, C, Xiao, Q.J, Deng, D. 登録日 2020-11-26 公開日 2021-04-07 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Molecular basis for substrate recognition by the bacterial nucleoside transporter NupG. J.Biol.Chem., 296, 2021
3AVS	Catalytic fragment of UTX/KDM6A bound with N-oxyalylglycine, and Ni(II) 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 6A, ... 著者 Sengoku, T, Yokoyama, S. 登録日 2011-03-07 公開日 2011-10-19 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Structural basis for histone H3 Lys 27 demethylation by UTX/KDM6A Genes Dev., 25, 2011
7LE1	HIV-1 Protease WT (NL4-3) in Complex with UMass2 分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}propyl]carbamate, Protease, SULFATE ION 著者 Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. 登録日 2021-01-14 公開日 2022-07-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.001 Å) 主引用文献 HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues To Be Published
7LE0	HIV-1 Protease WT (NL4-3) in Complex with a Darunavir Derivative 分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION 著者 Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. 登録日 2021-01-14 公開日 2022-07-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.952 Å) 主引用文献 HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues To Be Published
7B9Q	The SERp optimized structure of Ribonucleotide reductase from Rhodobacter sphaeroides 分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, MAGNESIUM ION, Vitamin B12-dependent ribonucleotide reductase 著者 Loderer, C, Feiler, C, Wilk, P, Kabinger, F. 登録日 2020-12-14 公開日 2022-01-12 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.78 Å) 主引用文献 HUG Domain Is Responsible for Active Dimer Stabilization in an NrdJd Ribonucleotide Reductase. Biochemistry, 61, 2022
3HQU	PHD2:Fe:UN9:partial HIF1-alpha substrate complex 分子名称: Egl nine homolog 1, FE (II) ION, Hypoxia-inducible factor 1 alpha, ... 著者 Chowdhury, R, McDonough, M.A, Schofield, C.J. 登録日 2009-06-08 公開日 2009-07-28 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural basis for binding of hypoxia-inducible factor to the oxygen-sensing prolyl hydroxylases Structure, 17, 2009
7LE2	HIV-1 Protease WT (NL4-3) in Complex with UMass4 分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{(1,3-benzodioxol-5-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION 著者 Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. 登録日 2021-01-14 公開日 2022-07-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.971 Å) 主引用文献 HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues To Be Published
7LDZ	HIV-1 Protease WT (NL4-3) in Complex with GRL-98065 分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-5-SULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE, Protease, SULFATE ION 著者 Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. 登録日 2021-01-14 公開日 2022-07-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.861 Å) 主引用文献 HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues To Be Published
3HR2	Low resolution, molecular envelope structure of type I collagen in situ determined by fiber diffraction. Single type I collagen molecule, post rigid body refinement, 'relaxed' 分子名称: Collagen alpha-1(I) chain, Collagen alpha-2(I) chain 著者 Orgel, J.P. 登録日 2009-06-08 公開日 2009-07-14 最終更新日 2024-02-21 実験手法 FIBER DIFFRACTION (5.16 Å) 主引用文献 Microfibrillar Structure of Type I Collagen in Situ. Proc.Natl.Acad.Sci.USA, 103, 2006
7RDE	Human Triose Phosphate Isomerase Q181P 分子名称: BROMIDE ION, CALCIUM ION, Triosephosphate isomerase 著者 VanDemark, A.P, Kowalski, J. 登録日 2021-07-09 公開日 2022-05-04 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.31 Å) 主引用文献 Itavastatin and resveratrol increase triosephosphate isomerase protein in a newly identified variant of TPI deficiency. Dis Model Mech, 15, 2022
7USQ	Crystal Structure of Caspase-3 with Peptide Inhibitor AcDVPD-CHO 分子名称: Caspase-3 subunit p12, Caspase-3 subunit p17, Peptide Inhibitor AcDVPD-CHO 著者 Fuller, J.L, Finzel, B.C. 登録日 2022-04-25 公開日 2022-06-01 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.71 Å) 主引用文献 Characterization of caspase-2 inhibitors based on specific sites of caspase-2-mediated proteolysis. Arch Pharm, 355, 2022
7D6Q	Crystal structure of the Stx2a 分子名称: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, Shiga toxin 2 B subunit, rRNA N-glycosylase 著者 Takahashi, M, Tamada, M, Hibino, M, Senda, M, Okuda, A, Miyazawa, A, Senda, T, Nishikawa, K. 登録日 2020-10-01 公開日 2021-04-14 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Identification of a peptide motif that potently inhibits two functionally distinct subunits of Shiga toxin. Commun Biol, 4, 2021
5M0R	Cryo-EM reconstruction of the maedi-visna virus (MVV) strand transfer complex 分子名称: integrase, tDNA, vDNA, ... 著者 Pye, V.E, Ballandras-Colas, A, Maskell, D, Locke, J, Kotecha, A, Costa, A, Cherepanov, P. 登録日 2016-10-05 公開日 2017-01-18 最終更新日 2024-05-15 実験手法 ELECTRON MICROSCOPY (8.2 Å) 主引用文献 A supramolecular assembly mediates lentiviral DNA integration. Science, 355, 2017
3HS8	Intersectin 1-peptide-AP2 alpha ear complex 分子名称: Adaptor protein complex AP-2, alpha 2 subunit, peptide from Intersectin-1, ... 著者 Vahedi-Faridi, A, Pechstein, A, Schaefer, J.G, Saenger, W, Haucke, V. 登録日 2009-06-10 公開日 2010-02-23 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Regulation of synaptic vesicle recycling by complex formation between intersectin 1 and the clathrin adaptor complex AP2. Proc.Natl.Acad.Sci.USA, 107, 2010
5M24	RARg mutant-S371E 分子名称: (9cis)-retinoic acid, CHLORIDE ION, DODECYL-ALPHA-D-MALTOSIDE, ... 著者 Rochel, N, Sirigu, S. 登録日 2016-10-11 公開日 2017-09-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.69 Å) 主引用文献 Allosteric Regulation in the Ligand Binding Domain of Retinoic Acid Receptor gamma. PLoS ONE, 12, 2017

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