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

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8UZ1	Straight actin filament from Arp2/3 branch junction sample (ADP-BeFx) 分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... 著者 Chavali, S.S, Chou, S.Z, Sindelar, C.V. 登録日 2023-11-14 公開日 2024-01-31 最終更新日 2024-03-20 実験手法 ELECTRON MICROSCOPY (3.6 Å) 主引用文献 Cryo-EM structures reveal how phosphate release from Arp3 weakens actin filament branches formed by Arp2/3 complex. Nat Commun, 15, 2024
4ZHG	Siderocalin-mediated recognition and cellular uptake of actinides 分子名称: AMERICIUM ION, CHLORIDE ION, GLYCEROL, ... 著者 Allred, B.E, Rupert, P.B, Gauny, S.S, An, D.D, Ralston, C.Y, Sturzbecher-Hoehne, M, Strong, R.K, Abergel, R.J. 登録日 2015-04-24 公開日 2015-08-05 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Siderocalin-mediated recognition, sensitization, and cellular uptake of actinides. Proc.Natl.Acad.Sci.USA, 112, 2015
3MNS	Investigation of global and local effects of radiation damage on porcine pancreatic elastase. Third stage of radiation damage 分子名称: Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION 著者 Petrova, T, Ginell, S, Kim, Y, Joachimiak, G, Joachimiak, A. 登録日 2010-04-22 公開日 2010-05-05 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.497 Å) 主引用文献 X-ray-induced deterioration of disulfide bridges at atomic resolution. Acta Crystallogr.,Sect.D, 66, 2010
3MO6	Investigation of global and local effects of radiation damage on porcine pancreatic elastase. Sixth stage of radiation damage 分子名称: Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION 著者 Petrova, T, Ginell, S, Kim, Y, Joachimiak, G, Joachimiak, A. 登録日 2010-04-22 公開日 2010-05-05 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.66 Å) 主引用文献 X-ray-induced deterioration of disulfide bridges at atomic resolution. Acta Crystallogr.,Sect.D, 66, 2010
6R3D	Crystal structure of di-phosphorylated human CLK1 in complex with 4-(6,7-dichloro-1H-indol-3-yl)pyrimidin-2-amine 分子名称: 4-[6,7-bis(chloranyl)-1~{H}-indol-3-yl]pyrimidin-2-amine, Dual specificity protein kinase CLK1 著者 Livnah, O, Domovich, Y. 登録日 2019-03-20 公開日 2020-04-08 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Crystal structure of di-phosphorylated human CLK1 in complex with 4-(1-methyl-1H-indol-3-yl)pyrimidin-2-amine To Be Published
3MOC	Investigation of global and local effects of radiation damage on porcine pancreatic elastase. Eighth stage of radiation damage 分子名称: Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION 著者 Petrova, T, Ginell, S, Kim, Y, Joachimiak, G, Joachimiak, A. 登録日 2010-04-22 公開日 2010-05-05 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 X-ray-induced deterioration of disulfide bridges at atomic resolution. Acta Crystallogr.,Sect.D, 66, 2010
8UTL	Bovine trypsin in complex with Thr3Dap mutated microviridin J 分子名称: CALCIUM ION, Cationic trypsin, GLYCEROL, ... 著者 Chen, W, Bruner, S.D. 登録日 2023-10-31 公開日 2024-02-14 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.56 Å) 主引用文献 Alternative Linkage Chemistries in the Chemoenzymatic Synthesis of Microviridin-Based Cyclic Peptides. Org.Lett., 26, 2024
4ZPF	BACE1 in complex with 8-(3-((1-aminopropan-2-yl)oxy)benzyl)-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one 分子名称: 8-(3-{[(2S)-1-aminopropan-2-yl]oxy}benzyl)-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one, Beta-secretase 1 著者 Orth, P. 登録日 2015-05-07 公開日 2015-08-05 最終更新日 2015-10-28 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Methyl-substitution of an iminohydantoin spiropiperidine beta-secretase (BACE-1) inhibitor has a profound effect on its potency. Bioorg.Med.Chem.Lett., 25, 2015
4ZIP	HIV-1 wild Type protease with GRL-0648A (a isophthalamide-derived P2-Ligand) 分子名称: CHLORIDE ION, GLYCEROL, N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N'-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-N,5-dimethylbenzene-1,3-dicarboxamide, ... 著者 Wang, Y.-F, Agniswamy, J, Weber, I.T. 登録日 2015-04-28 公開日 2015-07-15 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.11 Å) 主引用文献 Structure-based design, synthesis, X-ray studies, and biological evaluation of novel HIV-1 protease inhibitors containing isophthalamide-derived P2-ligands. Bioorg.Med.Chem.Lett., 25, 2015
8UV0	Discovery of (4-Pyrazolyl)-2-Aminopyrimidines as Potent and Selective Inhibitors of Cyclin-Dependent Kinase 2 分子名称: 1-{(4M)-4-[2-{[1-(cyclopropanesulfonyl)piperidin-4-yl]amino}-5-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrazol-1-yl}-2-methylpropan-2-ol, Cyclin-dependent kinase 2 著者 Deller, M.C, Epling, L.B. 登録日 2023-11-02 公開日 2024-02-14 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Discovery of (4-Pyrazolyl)-2-aminopyrimidines as Potent and Selective Inhibitors of Cyclin-Dependent Kinase 2. J.Med.Chem., 67, 2024
3MSK	Fragment Based Discovery and Optimisation of BACE-1 Inhibitors 分子名称: 4-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-cyclohexyl-N-methylbutanamide, Beta-secretase 1, GLYCEROL, ... 著者 Smith, M.A, Madden, J.M, Barker, J, Godemann, R, Kraemer, J, Hallett, D. 登録日 2010-04-29 公開日 2010-07-14 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Fragment-based discovery and optimization of BACE1 inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
4ZK5	MAP4K4 in complex with inhibitor GNE-495 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 8-amino-N-[1-(cyclopropylcarbonyl)azetidin-3-yl]-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxamide, MAGNESIUM ION, ... 著者 Harris, S.F, Wu, P, Coons, M. 登録日 2015-04-29 公開日 2015-09-02 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.89 Å) 主引用文献 Structure-Based Design of GNE-495, a Potent and Selective MAP4K4 Inhibitor with Efficacy in Retinal Angiogenesis. Acs Med.Chem.Lett., 6, 2015
3LZU	Crystal Structure of a Nelfinavir Resistant HIV-1 CRF01_AE Protease variant (N88S) in Complex with the Protease Inhibitor Darunavir. 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, ACETATE ION, HIV-1 protease 著者 Schiffer, C.A, Bandaranayake, R.M. 登録日 2010-03-01 公開日 2010-08-11 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.76 Å) 主引用文献 The Effect of Clade-Specific Sequence Polymorphisms on HIV-1 Protease Activity and Inhibitor Resistance Pathways. J.Virol., 84, 2010
8UYF	Structure of nucleotide-free Pediculus humanus (Ph) PINK1 dimer 分子名称: Serine/threonine-protein kinase Pink1, mitochondrial 著者 Gan, Z.Y, Kirk, N.S, Leis, A, Komander, D. 登録日 2023-11-13 公開日 2024-01-31 実験手法 ELECTRON MICROSCOPY (2.75 Å) 主引用文献 Interaction of PINK1 with nucleotides and kinetin. Sci Adv, 10, 2024
8UN4	KRAS-G13D-GDP in complex with Cpd36 ((E)-1-((3S)-4-(7-(6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl)-6-chloro-8-fluoro-2-(((S)-2-methylenetetrahydro-1H-pyrrolizin-7a(5H)-yl)methoxy)quinazolin-4-yl)-3-methylpiperazin-1-yl)-3-(4-((dimethylamino)methyl)-5-methylpyridin-2-yl)prop-2-en-1-one) 分子名称: (2E)-1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(4R,7aS)-2-methylidenetetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}-3-{4-[(dimethylamino)methyl]-5-methylpyridin-2-yl}prop-2-en-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... 著者 Ultsch, M.H. 登録日 2023-10-18 公開日 2023-12-20 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 Structure-Based Design and Evaluation of Reversible KRAS G13D Inhibitors. Acs Med.Chem.Lett., 15, 2024
3MSL	Fragment Based Discovery and Optimisation of BACE-1 Inhibitors 分子名称: (3S)-3-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-(cyclohexylmethyl)pentanamide, Beta-secretase 1, IODIDE ION 著者 Smith, M, Madden, J, Barker, J. 登録日 2010-04-29 公開日 2010-07-14 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Fragment-based discovery and optimization of BACE1 inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
3M0R	Crystal Structure of the R21D mutant of alpha-spectrin SH3 domain. Crystal obtained in ammonium sulphate at pH 6. 分子名称: SULFATE ION, Spectrin alpha chain, brain 著者 Gavira, J.A, Camara-Artigas, A. 登録日 2010-03-03 公開日 2011-01-19 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 Understanding the polymorphic behaviour of a mutant of the alpha-spectrin SH3 domain by means of two 1.1 A structures Acta Crystallogr.,Sect.D, 2011
8UO7	Bovine trypsin in complex with deacetylated wild type microviridin J 分子名称: CALCIUM ION, Cationic trypsin, Deacetylated wildtype microviridin J, ... 著者 Chen, W, Bruner, S.D. 登録日 2023-10-19 公開日 2024-02-14 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Alternative Linkage Chemistries in the Chemoenzymatic Synthesis of Microviridin-Based Cyclic Peptides. Org.Lett., 26, 2024
4ZLS	HIV-1 wild Type protease with GRL-096-13A (a Boc-derivative P2-Ligand, 3,-5-dimethylbiphenyl P1-Ligand) 分子名称: ACETATE ION, CHLORIDE ION, Protease, ... 著者 Wang, Y.-F, Agniswamy, J, Weber, I.T. 登録日 2015-05-01 公開日 2015-07-15 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 Structure-Based Design of Potent HIV-1 Protease Inhibitors with Modified P1-Biphenyl Ligands: Synthesis, Biological Evaluation, and Enzyme-Inhibitor X-ray Structural Studies. J.Med.Chem., 58, 2015
4ZJJ	PAK1 in complex with (S)-N-(tert-butyl)-3-((2-chloro-5-ethyl-8-fluoro-dibenzodiazepin-11-yl)amino)pyrrolidine-1-carboxamide 分子名称: (S)-N-(tert-butyl)-3-((2-chloro-5-ethyl-8-fluoro-dibenzodiazepin-11-yl)amino)pyrrolidine-1-carboxamide, MAGNESIUM ION, Serine/threonine-protein kinase PAK 1 著者 Gutmann, S, Rummel, G. 登録日 2015-04-29 公開日 2015-06-24 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor. Acs Med.Chem.Lett., 6, 2015
6R5G	C-SH2 domain of SHP-2 in complex with phospho-ITSM of PD-1 分子名称: ITSM, Tyrosine-protein phosphatase non-receptor type 11 著者 Marasco, M. 登録日 2019-03-25 公開日 2020-02-05 最終更新日 2023-06-14 実験手法 SOLUTION NMR 主引用文献 Molecular mechanism of SHP2 activation by PD-1 stimulation. Sci Adv, 6, 2020
4ZMT	Crystal structure of human P-cadherin (ss-X-dimer-long) 分子名称: CALCIUM ION, Cadherin-3 著者 Caaveiro, J.M.M, Kudo, S, Tsumoto, K. 登録日 2015-05-04 公開日 2016-09-07 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Adhesive Dimerization of Human P-Cadherin Catalyzed by a Chaperone-like Mechanism Structure, 24, 2016
6RGI	Partially unfolded cytochrome c in complex with sulfonatocalix[6]arene 分子名称: Cytochrome c iso-1, HEME C, IMIDAZOLE, ... 著者 Engilberge, S, Rennie, M.L, Crowley, P.B. 登録日 2019-04-16 公開日 2019-07-10 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.64 Å) 主引用文献 Calixarene capture of partially unfolded cytochrome c. Febs Lett., 593, 2019
4ZLO	Serine/threonine-protein kinase PAK1 complexed with a dibenzodiazepine: identification of an allosteric site on PAK1 分子名称: 2,8-difluoro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine, GLYCEROL, Serine/threonine-protein kinase PAK 1 著者 Bellamacina, C.R, Bussiere, D.E. 登録日 2015-05-01 公開日 2015-08-05 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor. Acs Med.Chem.Lett., 6, 2015
8VZ7	Crystal Structure of Human Cytochrome P450 2C9*27 (R150L) Genetic Variant in Complex with the Drug Losartan 分子名称: Cytochrome P450 2C9, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Shah, M.B. 登録日 2024-02-11 公開日 2024-06-12 最終更新日 2024-06-26 実験手法 X-RAY DIFFRACTION (2.53 Å) 主引用文献 Structural and biophysical analysis of cytochrome P450 2C9*14 and *27 variants in complex with losartan. J.Inorg.Biochem., 258, 2024

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