PDB: 12060 件ウェブページステータス検索Chemie searchBIRD

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8G94	Structure of CD69-bound S1PR1 coupled to heterotrimeric Gi 分子名称: Early activation antigen CD69, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... 著者 Chen, H, Li, X. 登録日 2023-02-21 公開日 2023-04-19 最終更新日 2023-04-26 実験手法 ELECTRON MICROSCOPY (3.15 Å) 主引用文献 Transmembrane protein CD69 acts as an S1PR1 agonist. Elife, 12, 2023
4I6B	Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein Phosphorylation in Rat Brain 分子名称: (7R)-8-cyclopentyl-7-ethyl-5-methyl-7,8-dihydropteridin-6(5H)-one, Serine/threonine-protein kinase PLK2 著者 Pan, H. 登録日 2012-11-29 公開日 2013-11-20 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce alpha-synuclein phosphorylation in rat brain. Chemmedchem, 8, 2013
4I6F	Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein Phosphorylation in Rat Brain 分子名称: (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-phenyl-1H-imidazol-1-yl)-7,8-dihydropteridin-6(5H)-one, Serine/threonine-protein kinase PLK2 著者 Pan, H. 登録日 2012-11-29 公開日 2013-11-20 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce alpha-synuclein phosphorylation in rat brain. Chemmedchem, 8, 2013
7T8M	Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 5/6 分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Shaqra, A.M, Schiffer, C.A. 登録日 2021-12-16 公開日 2022-06-22 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance. Nat Commun, 13, 2022
5T8H	Joint X-ray/neutron structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with amprenavir at pH 6.0 分子名称: Protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER 著者 Kovalevsky, A.Y, Gerlits, O.O. 登録日 2016-09-07 公開日 2017-03-01 最終更新日 2024-04-03 実験手法 NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION 主引用文献 Room Temperature Neutron Crystallography of Drug Resistant HIV-1 Protease Uncovers Limitations of X-ray Structural Analysis at 100 K. J. Med. Chem., 60, 2017
4I77	Lebrikizumab Fab bound to IL-13 分子名称: Interleukin-13, Lebrikizumab heavy chain, Lebrikizumab light chain 著者 Eigenbrot, C, Ultsch, M. 登録日 2012-11-30 公開日 2013-02-06 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural Basis of Signaling Blockade by Anti-IL-13 Antibody Lebrikizumab. J.Mol.Biol., 425, 2013
5Y7J	Crystal structure of human DPP4 in complex with inhibitor2 分子名称: (S)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(tert-butoxymethyl)piperazin-2-one, Dipeptidyl peptidase 4 著者 Lee, H.K, Kim, E.E. 登録日 2017-08-17 公開日 2019-03-20 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.521 Å) 主引用文献 Unique binding mode of Evogliptin with human dipeptidyl peptidase IV. Biochem.Biophys.Res.Commun., 494, 2017
7B0Z	Crystal Structure of human monoamine oxidase B in complex with (E)-3-phenyl-1-(4-(trifluoromethyl)phenyl)prop-2-en-1-one 分子名称: (E)-3-phenyl-1-(4-(trifluoromethyl)phenyl)prop-2-en-1-one, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ... 著者 Iacovino, L.G, Binda, C. 登録日 2020-11-23 公開日 2021-11-03 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Promising Non-cytotoxic Monosubstituted Chalcones to Target Monoamine Oxidase-B. Acs Med.Chem.Lett., 12, 2021
5TFT	Structure of cytochrome P450 2D6 (CYP2D6) BACE1 inhibitor complex 分子名称: (4S)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Hsu, M.H, Johnson, E.F. 登録日 2016-09-26 公開日 2017-01-11 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.71 Å) 主引用文献 Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality. J. Med. Chem., 60, 2017
6UQR	Complex of IgE and Ligelizumab 分子名称: IgE, Ligelizumab, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Tarchevskaya, S.S, Kleinboelting, S, Jardetzky, T.S. 登録日 2019-10-21 公開日 2019-12-04 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (3.6502912 Å) 主引用文献 The mechanistic and functional profile of the therapeutic anti-IgE antibody ligelizumab differs from omalizumab. Nat Commun, 11, 2020
7T67	SARS-CoV-2 S (Spike Glycoprotein) D614G with One(1) RBD Up 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein 著者 Byrne, P.O, McLellan, J.S. 登録日 2021-12-13 公開日 2022-08-24 最終更新日 2023-03-08 実験手法 ELECTRON MICROSCOPY (3 Å) 主引用文献 IgG-like bispecific antibodies with potent and synergistic neutralization against circulating SARS-CoV-2 variants of concern. Nat Commun, 13, 2022
7B1X	Crystal structure of cold-active esterase PMGL3 from permafrost metagenomic library 分子名称: esterase PMGL3 著者 Boyko, K.M, Nikolaeva, A.Y, Petrovskaya, L.E, Kryukova, M.V, Kryukova, E.A, Korzhenevsky, D.A, Lomakina, G.Y, Novototskaya-Vlasova, K.A, Rivkina, E.M, Dolgikh, D.A, Kirpichnikov, M.P, Popov, V.O. 登録日 2020-11-25 公開日 2021-11-03 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural and Biochemical Characterization of a Cold-Active PMGL3 Esterase with Unusual Oligomeric Structure. Biomolecules, 11, 2021
7SSB	Co-structure of PKG1 regulatory domain with compound 33 分子名称: 4-({(2S,3S)-3-[(1S)-1-(3,5-dichlorophenyl)-2-hydroxyethoxy]-2-phenylpiperidin-1-yl}methyl)-3-nitrobenzoic acid, cGMP-dependent protein kinase 1 著者 Fischmann, T.O. 登録日 2021-11-10 公開日 2022-08-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Optimization and Mechanistic Investigations of Novel Allosteric Activators of PKG1 alpha. J.Med.Chem., 65, 2022
7B0V	Crystal Structure of human monoamine oxidase B in complex with (E)-3-phenyl-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one 分子名称: (E)-3-phenyl-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ... 著者 Iacovino, L.G, Binda, C. 登録日 2020-11-23 公開日 2021-11-03 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Promising Non-cytotoxic Monosubstituted Chalcones to Target Monoamine Oxidase-B. Acs Med.Chem.Lett., 12, 2021
4HW3	Discovery of potent Mcl-1 inhibitors using fragment-based methods and structure-based design 分子名称: 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-benzothiophene-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 著者 Zhao, B. 登録日 2012-11-07 公開日 2013-01-09 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Discovery of potent myeloid cell leukemia 1 (Mcl-1) inhibitors using fragment-based methods and structure-based design. J.Med.Chem., 56, 2013
5TCZ	NMR solution structure of engineered Protoxin-II analog 分子名称: Beta/omega-theraphotoxin-Tp2a 著者 Gibbs, A.C, Wickenden, A.D. 登録日 2016-09-16 公開日 2017-01-18 実験手法 SOLUTION NMR 主引用文献 Insensitivity to pain induced by a potent selective closed-state Nav1.7 inhibitor. Sci Rep, 7, 2017
5XXY	Crystal structure of PD-L1 complexed with atezolizumab fab at 2.9A 分子名称: Programmed cell death 1 ligand 1, heavy chain of atezolizumab fab, light chain of atezolizumab fab 著者 Zhou, A, Zhang, F. 登録日 2017-07-05 公開日 2017-09-20 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Structural basis of the therapeutic anti-PD-L1 antibody atezolizumab. Oncotarget, 8, 2017
6UWC	X-ray crystal structure of wild type HIV-1 protease in complex with GRL-08613 分子名称: (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl {(2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate, Protease 著者 Yedidi, R.S, Hayashi, H, Ghosh, A.K, Mitsuya, H. 登録日 2019-11-05 公開日 2020-11-18 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Fluorine Modifications Contribute to Potent Antiviral Activity against Highly Drug-Resistant HIV-1 and Favorable Blood-Brain Barrier Penetration Property of Novel Central Nervous System-Targeting HIV-1 Protease Inhibitors In Vitro. Antimicrob.Agents Chemother., 66, 2022
7T3M	SARS-CoV-2 S (Spike Glycoprotein) D614G with Three (3) RBDs Up, Bound to Antibody 2-7 scFv, composite map 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 2-7 scFv, ... 著者 Byrne, P.O, McLellan, J.S. 登録日 2021-12-08 公開日 2022-08-24 最終更新日 2024-06-19 実験手法 ELECTRON MICROSCOPY (3 Å) 主引用文献 IgG-like bispecific antibodies with potent and synergistic neutralization against circulating SARS-CoV-2 variants of concern. Nat Commun, 13, 2022
6UWO	Crystal structure of receptor binding domain 2 from Clostridium difficile translocase CDTb 分子名称: ADP-ribosyltransferase binding component 著者 Pozharski, E. 登録日 2019-11-05 公開日 2020-01-22 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure of the cell-binding component of theClostridium difficilebinary toxin reveals a di-heptamer macromolecular assembly. Proc.Natl.Acad.Sci.USA, 117, 2020
5Y2T	Structure of PPARgamma ligand binding domain - lobeglitazone complex 分子名称: (5S)-5-[[4-[2-[[6-(4-methoxyphenoxy)pyrimidin-4-yl]-methyl-amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma 著者 Im, Y.J, Lee, M. 登録日 2017-07-27 公開日 2017-12-20 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structures of PPAR gamma complexed with lobeglitazone and pioglitazone reveal key determinants for the recognition of antidiabetic drugs Sci Rep, 7, 2017
6UWU	Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor ZL0516 分子名称: 1,2-ETHANEDIOL, 2-{4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl}-5,7-dimethoxy-4H-1-benzopyran-4-one, Bromodomain-containing protein 4 著者 Leonard, P.G, Joseph, S. 登録日 2019-11-05 公開日 2020-04-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Discovery of Orally Bioavailable Chromone Derivatives as Potent and Selective BRD4 Inhibitors: Scaffold Hopping, Optimization, and Pharmacological Evaluation. J.Med.Chem., 63, 2020
7C1I	Crystal structure of histidine-containing phosphotransfer protein B (HptB) from Pseudomonas aeruginosa PAO1 分子名称: Histidine kinase 著者 Chen, S.K, Guan, H.H, Wu, P.H, Lin, L.T, Wu, M.C, Chang, H.Y, Chen, N.C, Lin, C.C, Chuankhayan, P, Huang, Y.C, Lin, P.J, Chen, C.J. 登録日 2020-05-04 公開日 2020-11-04 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Structural insights into the histidine-containing phospho-transfer protein and receiver domain of sensor histidine kinase suggest a complex model in the two-component regulatory system in Pseudomonas aeruginosa Iucrj, 7, 2020
6UZG	Crystal structure of GLUN1/GLUN2A-4M mutant ligand-binding domain in complex with glycine and homoquinolinic acid 分子名称: 3-(carboxymethyl)pyridine-2-carboxylic acid, GLYCINE, Glutamate receptor ionotropic, ... 著者 Wang, J.X, Furukawa, H. 登録日 2019-11-15 公開日 2020-01-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Structural basis of subtype-selective competitive antagonism for GluN2C/2D-containing NMDA receptors. Nat Commun, 11, 2020
6UZX	Crystal structure of GLUN1/GLUN2A-4M mutant ligand-binding domain in complex with glycine and UBP791 分子名称: (2S,3R)-1-[7-(2-carboxyethyl)phenanthrene-2-carbonyl]piperazine-2,3-dicarboxylic acid, GLYCEROL, GLYCINE, ... 著者 Wang, J.X, Furukawa, H. 登録日 2019-11-15 公開日 2020-01-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.41 Å) 主引用文献 Structural basis of subtype-selective competitive antagonism for GluN2C/2D-containing NMDA receptors. Nat Commun, 11, 2020

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