PDB: 36840 件ウェブページステータス検索Chemie searchBIRD

---

7NQU	Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with Z396380540 分子名称: AMP PHOSPHORAMIDATE, CHLORIDE ION, GLYCEROL, ... 著者 Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. 登録日 2021-03-02 公開日 2021-03-10 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.13 Å) 主引用文献 Structures of P. falciparum Hsp70-x nucleotide binding domain with small molecule ligands To Be Published
5VC4	Crystal structure of HUMAN WEE1 KINASE domain in complex with Bosutinib-isomer 分子名称: 4-[(3,5-DICHLORO-4-METHOXYPHENYL)AMINO]-6-METHOXY-7-[3-(4-METHYLPIPERAZIN-1-YL)PROPOXY]QUINOLINE-3-CARBONITRILE, PHOSPHATE ION, Wee1-like protein kinase 著者 Zhu, J.-Y, Schonbrunn, E. 登録日 2017-03-30 公開日 2017-08-23 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors. J. Med. Chem., 60, 2017
7NQS	Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with Z1203107138 分子名称: 1-ethyl-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide, AMP PHOSPHORAMIDATE, GLYCEROL, ... 著者 Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. 登録日 2021-03-02 公開日 2021-03-17 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.56 Å) 主引用文献 Structures of P. falciparum Hsp70-x nucleotide binding domain with small molecule ligands To Be Published
6LTM	The dimeric structure of G80A/H81A/H82A myoglobin 分子名称: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE 著者 Nagao, S, Suda, A, Kobayashi, H, Shibata, N, Higuchi, Y, Hirota, S. 登録日 2020-01-22 公開日 2020-05-06 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Thermodynamic Control of Domain Swapping by Modulating the Helical Propensity in the Hinge Region of Myoglobin. Chem Asian J, 15, 2020
4N3T	Candida albicans Superoxide Dismutase 5 (SOD5), Cu(I) 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COPPER (I) ION, Potential secreted Cu/Zn superoxide dismutase, ... 著者 Galaleldeen, A, Taylor, A.B, Waninger-Saroni, J.J, Holloway, S.P, Hart, P.J. 登録日 2013-10-07 公開日 2014-04-09 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Candida albicans SOD5 represents the prototype of an unprecedented class of Cu-only superoxide dismutases required for pathogen defense. Proc.Natl.Acad.Sci.USA, 111, 2014
4N7O	Capturing the haemoglobin allosteric transition in a single crystal form; Crystal structure of half-liganded human haemoglobin with phosphate at 2.5 A resolution. 分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Sugiyama, K, Shibayama, N, Park, S.Y. 登録日 2013-10-16 公開日 2014-04-02 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.502 Å) 主引用文献 Capturing the hemoglobin allosteric transition in a single crystal form J.Am.Chem.Soc., 136, 2014
5UVF	Crystal Structure of the Human vaccinia-related kinase bound to BI-D1870 分子名称: (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... 著者 Counago, R.M, Bountra, C, Arruda, P, Edwards, A.M, Gileadi, O, Structural Genomics Consortium (SGC) 登録日 2017-02-20 公開日 2017-03-22 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural characterization of human Vaccinia-Related Kinases (VRK) bound to small-molecule inhibitors identifies different P-loop conformations. Sci Rep, 7, 2017
6DV4	HIV-1 wild type protease with GRL-04315A, a tetrahydronaphthalene carboxamide with (R)-Boc-amine and (S)-hydroxyl functionalities as the P2 ligand 分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ... 著者 Wang, Y.-F, Agniswamy, J, Weber, I.T. 登録日 2018-06-22 公開日 2018-10-31 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.14 Å) 主引用文献 Design, synthesis, and X-ray studies of potent HIV-1 protease inhibitors incorporating aminothiochromane and aminotetrahydronaphthalene carboxamide derivatives as the P2 ligands. Eur J Med Chem, 160, 2018
6DCD	Mycobacterium marinum cytochrome P450 CYP150A6 in the substrate-free form 分子名称: Cytochrome P450 150A6 Cyp150A6, PROTOPORPHYRIN IX CONTAINING FE 著者 Child, S.A, Bruning, J.B, Bell, S.G. 登録日 2018-05-05 公開日 2019-03-20 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 The characterisation of two members of the cytochrome P450 CYP150 family: CYP150A5 and CYP150A6 from Mycobacterium marinum. Biochim Biophys Acta Gen Subj, 1863, 2019
7NQQ	Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2 分子名称: 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]ethanamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... 著者 O'Reilly, M. 登録日 2021-03-02 公開日 2021-10-06 実験手法 X-RAY DIFFRACTION (1.943 Å) 主引用文献 Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J.Med.Chem., 64, 2021
6MA6	Human CYP3A4 bound to an inhibitor metyrapone 分子名称: 1,2-ETHANEDIOL, Cytochrome P450 3A4, GLYCEROL, ... 著者 Sevrioukova, I.F. 登録日 2018-08-26 公開日 2019-01-16 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.182 Å) 主引用文献 Interaction of Human Drug-Metabolizing CYP3A4 with Small Inhibitory Molecules. Biochemistry, 58, 2019
6ATV	The molecular mechanisms by which NS1 of the 1918 Spanish influenza A virus hijack host protein-protein interactions 分子名称: Adapter molecule crk, proline-rich motif in IAV-NS1 著者 Shen, Q, Zeng, D, Zhao, B, Li, P, Cho, J.H. 登録日 2017-08-29 公開日 2018-08-08 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.751 Å) 主引用文献 Molecular Mechanisms of Tight Binding through Fuzzy Interactions. Biophys. J., 114, 2018
6LYZ	Real-space refinement of the structure of hen egg-white lysozyme 分子名称: HEN EGG WHITE LYSOZYME 著者 Diamond, R, Phillips, D.C, Blake, C.C.F, North, A.C.T. 登録日 1975-02-01 公開日 1977-04-12 最終更新日 2017-11-29 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Real-space refinement of the structure of hen egg-white lysozyme. J.Mol.Biol., 82, 1974
7VV0	Cryo-EM structure of pseudoallergen receptor MRGPRX2 complex with PAMP-12, local 分子名称: CHOLESTEROL, Mas-related G-protein coupled receptor member X2, peptide from Pro-adrenomedullin 著者 Li, Y, Yang, F. 登録日 2021-11-04 公開日 2021-12-01 最終更新日 2022-07-20 実験手法 ELECTRON MICROSCOPY (3.5 Å) 主引用文献 Structure, function and pharmacology of human itch receptor complexes. Nature, 600, 2021
7VV6	Cryo-EM structure of pseudoallergen receptor MRGPRX2 complex with C48/80 (local) 分子名称: 2-[4-methoxy-3-[[2-methoxy-3-[[2-methoxy-5-[2-(methylamino)ethyl]phenyl]methyl]-5-[2-(methylamino)ethyl]phenyl]methyl]phenyl]-~{N}-methyl-ethanamine, CHOLESTEROL, Mas-related G-protein coupled receptor member X2 著者 Li, Y, Yang, F. 登録日 2021-11-04 公開日 2021-12-01 最終更新日 2022-07-20 実験手法 ELECTRON MICROSCOPY (3.3 Å) 主引用文献 Structure, function and pharmacology of human itch receptor complexes. Nature, 600, 2021
6DI8	Crystal structure of bovine alpha-chymotrypsin in space group P65 分子名称: Chymotrypsin A chain A, Chymotrypsin A chain B, Chymotrypsin A chain C, ... 著者 Marshall, A.C, Keiller, B.G, Bruning, J.B. 登録日 2018-05-23 公開日 2019-01-23 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.859 Å) 主引用文献 Crystal Structure of Bovine Alpha-Chymotrypsin in Space Group P65 Crystals, 8, 2018
6DJ1	Wild-type HIV-1 protease in complex with Lopinavir 分子名称: CHLORIDE ION, HIV-1 protease, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, ... 著者 Wang, Y.-F, Wong-Sam, A.E, Zhang, Y, Weber, I.T. 登録日 2018-05-24 公開日 2018-10-17 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.26 Å) 主引用文献 Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease. ACS Omega, 3, 2018
6M20	Crystal structure of Plasmodium falciparum hexose transporter PfHT1 bound with glucose 分子名称: Hexose transporter 1, beta-D-glucopyranose, nonyl beta-D-glucopyranoside 著者 Jiang, X, Yuan, Y.Y, Zhang, S, Wang, N, Yan, C.Y, Yan, N. 登録日 2020-02-26 公開日 2020-09-09 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structural Basis for Blocking Sugar Uptake into the Malaria Parasite Plasmodium falciparum. Cell, 183, 2020
6DJM	Cryo-EM structure of AMPPNP-actin filaments 分子名称: Actin, alpha skeletal muscle, MAGNESIUM ION, ... 著者 Chou, S.Z, Pollard, T.D. 登録日 2018-05-25 公開日 2019-02-27 最終更新日 2020-01-08 実験手法 ELECTRON MICROSCOPY (3.1 Å) 主引用文献 Mechanism of actin polymerization revealed by cryo-EM structures of actin filaments with three different bound nucleotides. Proc.Natl.Acad.Sci.USA, 116, 2019
6M4P	Cytochrome P450 monooxygenase StvP2 substrate-bound structure 分子名称: 6-methoxy-streptovaricin C, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE 著者 Sun, G, Hu, C, Mei, Q, Luo, M, Chen, X, Li, Z, Liu, Y, Deng, Z, Zhang, Z, Sun, Y. 登録日 2020-03-08 公開日 2020-08-12 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Uncovering the cytochrome P450-catalyzed methylenedioxy bridge formation in streptovaricins biosynthesis. Nat Commun, 11, 2020
5UOX	Structure-Based Design of ASK1 Inhibitors as Potential First-in-Class Agents for Heart Failure 分子名称: 2-(6-{4-[(2R)-1-hydroxypropan-2-yl]-4H-1,2,4-triazol-3-yl}pyridin-2-yl)-6-[(propan-2-yl)oxy]-2,3-dihydro-1H-isoindol-1-one, Mitogen-activated protein kinase kinase kinase 5 著者 Dougan, D.R. 登録日 2017-02-01 公開日 2017-06-07 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structure-Based Design of ASK1 Inhibitors as Potential Agents for Heart Failure. ACS Med Chem Lett, 8, 2017
6MCU	Crystal structure of the holo retinal-bound domain-swapped dimer Q108K:T51D:A28H mutant of human Cellular Retinol Binding Protein II 分子名称: GLYCEROL, RETINAL, Retinol-binding protein 2 著者 Ghanbarpour, A, Geiger, J. 登録日 2018-09-02 公開日 2019-10-16 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.572 Å) 主引用文献 Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches. J.Am.Chem.Soc., 141, 2019
6E6F	KRAS G13D bound to GppNHp (K13GNP) 分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER 著者 Johnson, C.W, Mattos, C. 登録日 2018-07-24 公開日 2019-07-31 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (3.401 Å) 主引用文献 Isoform-Specific Destabilization of the Active Site Reveals a Molecular Mechanism of Intrinsic Activation of KRas G13D. Cell Rep, 28, 2019
6E6G	KRAS G13D bound to GDP (K13GDP) 分子名称: CALCIUM ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... 著者 Johnson, C.W, Mattos, C. 登録日 2018-07-24 公開日 2019-07-31 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 Isoform-Specific Destabilization of the Active Site Reveals a Molecular Mechanism of Intrinsic Activation of KRas G13D. Cell Rep, 28, 2019
5UQA	Insulin with proline analog FzP at position B28 in the R6 state 分子名称: ACETONE, CHLORIDE ION, GLYCEROL, ... 著者 Lieblich, S.A, Fang, K.Y, Tirrell, D.A. 登録日 2017-02-07 公開日 2018-02-21 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.31000245 Å) 主引用文献 Insulin with proline analog FzP at position B28 in the R6 state To Be Published

<268269270271272273274275276277278279280281282283>