PDB: 45459 件ウェブページステータス検索Chemie searchBIRD

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6EI5	Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation 分子名称: Heat shock protein HSP 90-alpha, [2-azanyl-6-[2-(methylaminomethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone 著者 Musil, D, Lehmann, M, Eggenweiler, H.-M. 登録日 2017-09-17 公開日 2018-05-30 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations. J Chem Theory Comput, 14, 2018
4EV6	The complete structure of CorA magnesium transporter from Methanocaldococcus jannaschii 分子名称: MAGNESIUM ION, Magnesium transport protein CorA, UNDECYL-MALTOSIDE 著者 Guskov, A, Nordin, N, Reynaud, A, Engman, H, Lundback, A.-K, Jong, A.J.O, Cornvik, T, Phua, T, Eshaghi, S. 登録日 2012-04-25 公開日 2012-10-31 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Structural insights into the mechanisms of Mg2+ uptake, transport, and gating by CorA Proc.Natl.Acad.Sci.USA, 109, 2012
6EN2	Structure of the Tn1549 transposon Integrase (aa 82-397, R225K) in complex with a circular intermediate DNA (CI6b-DNA) 分子名称: DI(HYDROXYETHYL)ETHER, DNA (45-MER), Int protein 著者 Rubio-Cosials, A, Barabas, O. 登録日 2017-10-04 公開日 2018-04-04 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.67 Å) 主引用文献 Transposase-DNA Complex Structures Reveal Mechanisms for Conjugative Transposition of Antibiotic Resistance. Cell, 173, 2018
7NP4	cAMP-bound rabbit HCN4 stabilized in LMNG-CHS detergent mixture 分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4,Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4 著者 Giese, H, Chaves-Sanjuan, A, Saponaro, A, Clarke, O, Bolognesi, M, Mancia, F, Hendrickson, W.A, Thiel, G, Santoro, B, Moroni, A. 登録日 2021-02-26 公開日 2021-08-11 最終更新日 2024-07-10 実験手法 ELECTRON MICROSCOPY (3.3 Å) 主引用文献 Gating movements and ion permeation in HCN4 pacemaker channels. Mol.Cell, 81, 2021
7NP3	cAMP-free rabbit HCN4 stabilized in LMNG-CHS detergent mixture 分子名称: Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4,Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4 著者 Giese, H.M, Chaves-Sanjuan, A, Saponaro, A, Clarke, O, Bolognesi, M, Mancia, F, Hendrickson, W.A, Thiel, G, Santoro, B, Moroni, A. 登録日 2021-02-26 公開日 2021-08-11 最終更新日 2024-07-10 実験手法 ELECTRON MICROSCOPY (3.3 Å) 主引用文献 Gating movements and ion permeation in HCN4 pacemaker channels. Mol.Cell, 81, 2021
6E6N	Pheromone from Euplotes raikovi, Er-13 分子名称: Pheromone from Euplotes raikovi Er-13 著者 Finke, A.D, Marsh, M.E. 登録日 2018-07-25 公開日 2019-08-07 実験手法 X-RAY DIFFRACTION (1.363 Å) 主引用文献 Ab initio crystal structure determination of Euplotes raikovi pheromones from high-resolution data To Be Published
6E7G	Crystal structure of H5 hemagglutinin mutant Y161A from A/Viet Nam/1203/2004 H5N1 influenza virus 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, Hemagglutinin HA1 chain, ... 著者 Tzarum, N, Wilson, I.A. 登録日 2018-07-26 公開日 2019-06-19 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (3.094 Å) 主引用文献 N-Glycolylneuraminic Acid as a Receptor for Influenza A Viruses. Cell Rep, 27, 2019
8PQG	c-KIT T670I mutated kinase domain in complex with avapritinib 分子名称: Avapritinib, Mast/stem cell growth factor receptor Kit 著者 Teuber, A, Mueller, M.P, Rauh, D. 登録日 2023-07-11 公開日 2023-12-27 最終更新日 2024-08-07 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA. Nat Commun, 15, 2024
8Q5B	Characterization of the zinc finger u-protein HVO_0758 from Haloferax volcanii: biological roles, zinc binding, and NMR solution structure 分子名称: Small CPxCG-related zinc finger protein 著者 Pyper, D.J, Schwalbe, H. 登録日 2023-08-08 公開日 2023-12-27 実験手法 SOLUTION NMR 主引用文献 Characterization of the zinc finger mu-protein HVO_0758 from Haloferax volcanii : biological roles, zinc binding, and NMR solution structure. Front Microbiol, 14, 2023
8Q79	Structure of mBaoJin at pH 6.5 分子名称: CHLORIDE ION, mBaoJin 著者 Samygina, V.R, Subach, O.M, Vlaskina, A.V, Nikolaeva, A.Y, Borshchevsky, V, Qin, W, Subach, F.V. 登録日 2023-08-15 公開日 2023-12-27 最終更新日 2024-04-24 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Bright and stable monomeric green fluorescent protein derived from StayGold. Nat.Methods, 21, 2024
6EAL	CRYSTAL STRUCTURE OF HUMAN RESPIRATORY SYNCYTIAL VIRUS FUSION GLYCOPROTEIN INHIBITOR ESCAPE VARIANT D486N STABILIZED IN THE PREFUSION STATE 分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, D(-)-TARTARIC ACID, Fusion glycoprotein F0, ... 著者 Battles, M.B, McLellan, J.S. 登録日 2018-08-03 公開日 2019-08-07 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.751 Å) 主引用文献 Structural Basis for Respiratory Syncytial Virus Fusion Inhibitor Resistance To be published
6EIZ	A de novo designed hexameric coiled coil CC-Hex2 with farnesol bound in the channel. 分子名称: (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, CC-Hex2 著者 Rhys, G.G, Burton, A.J, Dawson, W.M, Thomas, F, Woolfson, D.N. 登録日 2017-09-19 公開日 2018-07-11 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 De Novo-Designed alpha-Helical Barrels as Receptors for Small Molecules. ACS Synth Biol, 7, 2018
6EN3	Crystal structure of full length EndoS from Streptococcus pyogenes in complex with G2 oligosaccharide. 分子名称: CALCIUM ION, Endo-beta-N-acetylglucosaminidase F2,Multifunctional-autoprocessing repeats-in-toxin, NICKEL (II) ION, ... 著者 Trastoy, B, Klontz, E.H, Orwenyo, J, Marina, A, Wang, L.X, Sundberg, E.J, Guerin, M.E. 登録日 2017-10-04 公開日 2018-06-13 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.903 Å) 主引用文献 Structural basis for the recognition of complex-type N-glycans by Endoglycosidase S. Nat Commun, 9, 2018
6ENQ	Structure of human PPAR gamma LBD in complex with Lanifibranor (IVA337) 分子名称: 4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl]butanoic acid, Peroxisome proliferator-activated receptor gamma 著者 Boubia, B, Poupardin, O, Barth, M, Amaudrut, J, Broqua, P, Tallandier, M, Zeyer, D. 登録日 2017-10-06 公開日 2018-03-14 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Design, Synthesis, and Evaluation of a Novel Series of Indole Sulfonamide Peroxisome Proliferator Activated Receptor (PPAR) alpha / gamma / delta Triple Activators: Discovery of Lanifibranor, a New Antifibrotic Clinical Candidate. J. Med. Chem., 61, 2018
6ENZ	Crystal structure of mouse GADL1 分子名称: Acidic amino acid decarboxylase GADL1, PYRIDOXAL-5'-PHOSPHATE 著者 Raasakka, A, Mahootchi, E, Winge, I, Luan, W, Kursula, P, Haavik, J. 登録日 2017-10-07 公開日 2018-01-03 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Structure of the mouse acidic amino acid decarboxylase GADL1. Acta Crystallogr F Struct Biol Commun, 74, 2018
7N6W	Structure of uncleaved HIV-1 JR-FL Env glycoprotein trimer in state U2 bound to small Molecule HIV-1 Entry Inhibitor BMS-378806 分子名称: 1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Zhang, S, Wang, K, Mao, Y. 登録日 2021-06-09 公開日 2021-09-22 最終更新日 2021-12-08 実験手法 ELECTRON MICROSCOPY (4.7 Å) 主引用文献 Asymmetric Structures and Conformational Plasticity of the Uncleaved Full-Length Human Immunodeficiency Virus Envelope Glycoprotein Trimer. J.Virol., 95, 2021
4OS0	Three-dimensional structure of the C65A-W54F double mutant of Human lipocalin-type Prostaglandin D Synthase apo-form 分子名称: Prostaglandin-H2 D-isomerase 著者 Perduca, M, Bovi, M, Bertinelli, M, Bertini, E, Destefanis, L, Carrizo, M.E, Capaldi, S, Monaco, H.L. 登録日 2014-02-12 公開日 2014-08-06 最終更新日 2014-12-17 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 High-resolution structures of mutants of residues that affect access to the ligand-binding cavity of human lipocalin-type prostaglandin D synthase. Acta Crystallogr.,Sect.D, 70, 2014
7NMH	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-070 分子名称: (5-methanoyl-2-nitro-phenyl) methanesulfonate, 14-3-3 protein sigma, CALCIUM ION, ... 著者 Wolter, M, Ottmann, C. 登録日 2021-02-23 公開日 2021-09-15 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
6EOO	DPP8 - Apo, space group 20 分子名称: Dipeptidyl peptidase 8 著者 Ross, B.R, Huber, R. 登録日 2017-10-10 公開日 2018-02-07 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structures and mechanism of dipeptidyl peptidases 8 and 9, important players in cellular homeostasis and cancer. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7N6U	Structure of uncleaved HIV-1 JR-FL Env glycoprotein trimer in state U1 bound to small Molecule HIV-1 Entry Inhibitor BMS-378806 分子名称: 1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Zhang, S, Wang, K, Mao, Y. 登録日 2021-06-09 公開日 2021-09-22 最終更新日 2021-12-08 実験手法 ELECTRON MICROSCOPY (4.1 Å) 主引用文献 Asymmetric Structures and Conformational Plasticity of the Uncleaved Full-Length Human Immunodeficiency Virus Envelope Glycoprotein Trimer. J.Virol., 95, 2021
6EN1	Structure of the Tn1549 transposon Integrase (aa 82-397, R225K) in complex with a circular intermediate DNA (CI6a-DNA) 分子名称: DI(HYDROXYETHYL)ETHER, DNA (45-MER), Int protein 著者 Rubio-Cosials, A, Barabas, O. 登録日 2017-10-04 公開日 2018-04-04 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.67 Å) 主引用文献 Transposase-DNA Complex Structures Reveal Mechanisms for Conjugative Transposition of Antibiotic Resistance. Cell, 173, 2018
8Q5Q	d(ATTTC)3 dimeric structure 分子名称: DNA (5'-D(*AP*TP*TP*TP*(DNR)P*AP*TP*TP*TP*CP*AP*TP*TP*TP*C)-3') 著者 Trajkovski, M, Pastore, A, Plavec, J. 登録日 2023-08-09 公開日 2024-02-07 最終更新日 2024-03-06 実験手法 SOLUTION NMR 主引用文献 Dimeric structures of DNA ATTTC repeats promoted by divalent cations. Nucleic Acids Res., 52, 2024
6ES7	Structure and dynamics conspire in the evolution of affinity between intrinsically disordered proteins 分子名称: CREB-binding protein, Nuclear receptor coactivator 3 著者 Chi, N.C. 登録日 2017-10-19 公開日 2018-10-31 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Structure and dynamics conspire in the evolution of affinity between intrinsically disordered proteins. Sci Adv, 4, 2018
6E6O	Pheromone from Euplotes raikovi, Er-1 分子名称: Mating pheromone Er-1/Er-3 著者 Finke, A.D, Marsh, M.E. 登録日 2018-07-25 公開日 2019-08-07 実験手法 X-RAY DIFFRACTION (0.7 Å) 主引用文献 Ab initio crystal structure determination of Euplotes raikovi pheromones from high-resolution data To Be Published
6EAI	CRYSTAL STRUCTURE OF HUMAN RESPIRATORY SYNCYTIAL VIRUS FUSION GLYCOPROTEIN INHIBITOR ESCAPE VARIANT S398L STABILIZED IN THE PREFUSION STATE 分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, D(-)-TARTARIC ACID, ... 著者 Battles, M.B, McLellan, J.S. 登録日 2018-08-03 公開日 2019-08-07 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Structural Basis for Respiratory Syncytial Virus Fusion Inhibitor Resistance To be published

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