PDB: 71589 件ウェブページステータス検索Chemie searchBIRD

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6ZCW	Crystal structure of lanthanide-dependent alcohol dehydrogenase PedH from Pseudomonas putida KT2440 分子名称: PRASEODYMIUM ION, PYRROLOQUINOLINE QUINONE, Quinoprotein ethanol dehydrogenase 著者 Bange, G, Lepak, A, Elsayed, E.M. 登録日 2020-06-12 公開日 2020-07-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Engineered PQQ-Dependent Alcohol Dehydrogenase for the Oxidation of 5-(Hydroxymethyl)furoic Acid Acs Catalysis, 10, 2020
3JVS	Characterization of the Chk1 allosteric inhibitor binding site 分子名称: 2-[(4-tert-butyl-3-nitrophenyl)carbonyl]-N-naphthalen-1-ylhydrazinecarboxamide, Serine/threonine-protein kinase Chk1 著者 Chen, P. 登録日 2009-09-17 公開日 2009-10-06 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Characterization of the CHK1 allosteric inhibitor binding site. Biochemistry, 48, 2009
1PPZ	Trypsin complexes at atomic and ultra-high resolution 分子名称: SULFATE ION, Trypsin 著者 Schmidt, A, Jelsch, C, Rypniewski, W, Lamzin, V.S. 登録日 2003-06-17 公開日 2003-11-11 最終更新日 2017-10-11 実験手法 X-RAY DIFFRACTION (1.23 Å) 主引用文献 Trypsin Revisited: CRYSTALLOGRAPHY AT (SUB) ATOMIC RESOLUTION AND QUANTUM CHEMISTRY REVEALING DETAILS OF CATALYSIS. J.Biol.Chem., 278, 2003
6ZIZ	CRYSTAL STRUCTURE OF NRAS Q61R IN COMPLEX WITH GTP AND COMPOUND 18 分子名称: (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase NRas, GUANOSINE-5'-TRIPHOSPHATE, ... 著者 Kessler, D, Fischer, G, Boettcher, J. 登録日 2020-06-26 公開日 2020-08-19 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.785 Å) 主引用文献 Drugging all RAS isoforms with one pocket. Future Med Chem, 12, 2020
6ZJD	Crystal structure of human adenylate kinase 3, AK3, in complex with inhibitor ATP 分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, GTP:AMP phosphotransferase AK3, ... 著者 Grundstrom, C, Rogne, P, Wolf-Watz, M, Sauer-Eriksson, A.E. 登録日 2020-06-28 公開日 2020-09-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structural Basis for GTP versus ATP Selectivity in the NMP Kinase AK3. Biochemistry, 59, 2020
1YS7	Crystal structure of the response regulator protein prrA complexed with Mg2+ 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLYCEROL, ... 著者 Nowak, E, Panjikar, S, Tucker, P, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) 登録日 2005-02-07 公開日 2006-02-07 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 The structural basis of signal transduction for the response regulator PrrA from Mycobacterium tuberculosis. J.Biol.Chem., 281, 2006
4YNM	ASH1L wild-type SET domain in complex with S-adenosyl methionine (SAM) 分子名称: Histone-lysine N-methyltransferase ASH1L, S-ADENOSYLMETHIONINE, ZINC ION 著者 Rogawski, D.S, Ndoj, J, Cho, H.-J, Maillard, I, Grembecka, J, Cierpicki, T. 登録日 2015-03-10 公開日 2015-09-02 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.19 Å) 主引用文献 Two Loops Undergoing Concerted Dynamics Regulate the Activity of the ASH1L Histone Methyltransferase. Biochemistry, 54, 2015
3K9G	CRYSTAL STRUCTURE OF A PLASMID PARTITION PROTEIN FROM BORRELIA BURGDORFERI AT 2.25A RESOLUTION, iodide soak 分子名称: IODIDE ION, PF-32 protein, SODIUM ION 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2009-10-15 公開日 2009-11-03 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 SAD phasing using iodide ions in a high-throughput structural genomics environment. J Struct Funct Genomics, 12, 2011
6Z5O	CRYSTAL STRUCTURE OF RAT PEROXISOMAL MULTIFUNCTIONAL ENZYME TYPE-1 (RPMFE1) COMPLEXED WITH COENZYME-A AND OXIDISED NICOTINAMIDE ADENINE DINUCLEOTIDE 分子名称: COENZYME A, GLYCEROL, NICOTINAMIDE, ... 著者 Wierenga, R.K, Sridhar, S, Kiema, T.R. 登録日 2020-05-27 公開日 2020-12-09 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Crystallographic binding studies of rat peroxisomal multifunctional enzyme type 1 with 3-ketodecanoyl-CoA: capturing active and inactive states of its hydratase and dehydrogenase catalytic sites. Acta Crystallogr D Struct Biol, 76, 2020
2WLO	POTASSIUM CHANNEL FROM MAGNETOSPIRILLUM MAGNETOTACTICUM 分子名称: POTASSIUM CHANNEL, POTASSIUM ION 著者 Clarke, O.B, Caputo, A.T, Smith, B.J, Gulbis, J.M. 登録日 2009-06-24 公開日 2010-06-23 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (4.036 Å) 主引用文献 Domain Reorientation and Rotation of an Intracellular Assembly Regulate Conduction in Kir Potassium Channels. Cell(Cambridge,Mass.), 141, 2010
4YPE	ASH1L SET domain H2193F mutant in complex with S-adenosyl methionine (SAM) 分子名称: Histone-lysine N-methyltransferase ASH1L, S-ADENOSYLMETHIONINE, ZINC ION 著者 Rogawski, D.S, Ndoj, J, Cho, H.J, Maillard, I, Grembecka, J, Cierpicki, T. 登録日 2015-03-12 公開日 2015-09-02 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Two Loops Undergoing Concerted Dynamics Regulate the Activity of the ASH1L Histone Methyltransferase. Biochemistry, 54, 2015
8B55	Human ADGRG4 PTX-like domain 分子名称: Adhesion G-protein coupled receptor G4, MAGNESIUM ION 著者 Kieslich, B, Straeter, N. 登録日 2022-09-21 公開日 2022-10-19 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.36 Å) 主引用文献 The dimerized pentraxin-like domain of the adhesion G protein-coupled receptor 112 (ADGRG4) suggests function in sensing mechanical forces. J.Biol.Chem., 299, 2023
3JZK	crystal structure of MDM2 with chromenotriazolopyrimidine 1 分子名称: (6R,7S)-6,7-bis(4-bromophenyl)-7,11-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine, E3 ubiquitin-protein ligase Mdm2 著者 Huang, X. 登録日 2009-09-23 公開日 2009-11-17 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Discovery and optimization of chromenotriazolopyrimidines as potent inhibitors of the mouse double minute 2-tumor protein 53 protein-protein interaction. J.Med.Chem., 52, 2009
7UL4	CryoEM Structure of Inactive MOR Bound to Alvimopan and Mb6 分子名称: Megabody 6, Mu-type opioid receptor, N-[(2S)-2-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]methyl}-3-phenylpropanoyl]glycine 著者 Robertson, M.J, Skiniotis, G. 登録日 2022-04-03 公開日 2022-06-29 最終更新日 2022-12-28 実験手法 ELECTRON MICROSCOPY (2.8 Å) 主引用文献 Structure determination of inactive-state GPCRs with a universal nanobody. Nat.Struct.Mol.Biol., 29, 2022
6ZL5	CRYSTAL STRUCTURE OF KRAS-G12D(C118S) IN COMPLEX WITH BI-2852 AND GDP 分子名称: (3~{S})-3-[2-[[[1-[(1-methylimidazol-4-yl)methyl]indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... 著者 Kessler, D, Fischer, G, Boettcher, J. 登録日 2020-06-30 公開日 2020-08-19 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.645 Å) 主引用文献 Drugging all RAS isoforms with one pocket. Future Med Chem, 12, 2020
4YBI	Crystal structure of BACE with amino thiazine inhibitor LY2811376 分子名称: (4S)-4-[2,4-difluoro-5-(pyrimidin-5-yl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine, Beta-secretase 1, GLYCEROL 著者 Timm, D.E. 登録日 2015-02-18 公開日 2015-04-01 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 Robust central reduction of amyloid-beta in humans with an orally available, non-peptidic beta-secretase inhibitor. J.Neurosci., 31, 2011
6ZL3	CRYSTAL STRUCTURE OF HRAS IN COMPLEX WITH COMPOUND 18 and GDP 分子名称: (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, ... 著者 Kessler, D, Fischer, G, Boettcher, J. 登録日 2020-06-30 公開日 2020-08-19 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.031 Å) 主引用文献 Drugging all RAS isoforms with one pocket. Future Med Chem, 12, 2020
7XAD	Crystal strucutre of PD-L1 and DBL2_02 designed protein binder 分子名称: DBL2_02 binder, Programmed cell death 1 ligand 1 著者 Liu, K.F, Xu, Z.P, Han, P, Pacesa, M, Gao, G.F, Chai, Y, Tan, S.G. 登録日 2022-03-17 公開日 2023-04-12 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 De novo design of protein interactions with learned surface fingerprints. Nature, 617, 2023
4X0X	The structure of AhpE from Mycobacterium tuberculosis revisited 分子名称: Putative peroxiredoxin MT2298 著者 Pallo, A, Messens, J. 登録日 2014-11-24 公開日 2016-07-27 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Revisiting sulfur H-bonds in proteins: The example of peroxiredoxin AhpE. Sci Rep, 6, 2016
6ZJ0	CRYSTAL STRUCTURE OF HRAS-G12D IN COMPLEX WITH GCP AND COMPOUND 18 分子名称: (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase HRas, MAGNESIUM ION, ... 著者 Kessler, D, Fischer, G, Boettcher, J. 登録日 2020-06-26 公開日 2020-08-19 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.763 Å) 主引用文献 Drugging all RAS isoforms with one pocket. Future Med Chem, 12, 2020
4WWO	Crystal structure of human PI3K-gamma in complex with phenylquinoline inhibitor N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine 分子名称: N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION 著者 Whittington, D.A, Tang, J, Yakowec, P. 登録日 2014-11-11 公開日 2014-12-17 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease. J.Med.Chem., 58, 2015
3KA2	Crystal structure of chemically synthesized 203 amino acid 'covalent dimer' [L-Ala;Gly51']HIV-1 protease molecule complexed with MVT-101 reduced isostere inhibitor at 1.4 A resolution 分子名称: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, [L-Ala51;Gly51']HIV-1 protease 著者 Torbeev, V.Y, Kent, S.B.H. 登録日 2009-10-18 公開日 2011-04-27 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Protein conformational dynamics in the mechanism of HIV-1 protease catalysis. Proc.Natl.Acad.Sci.USA, 108, 2011
3J83	Heptameric EspB Rosetta model guided by EM density 分子名称: ESX-1 secretion-associated protein EspB 著者 Solomonson, M, DiMaio, F, Strynadka, N.C.J. 登録日 2014-09-30 公開日 2015-03-11 最終更新日 2024-02-21 実験手法 ELECTRON MICROSCOPY (30 Å) 主引用文献 Structure of EspB from the ESX-1 Type VII Secretion System and Insights into its Export Mechanism. Structure, 23, 2015
7B2U	Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 1 分子名称: (5S)-5-(cyclohexylmethyl)-3-(5-fluoropyridin-3-yl)imidazolidine-2,4-dione, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE 著者 Talibov, V.O. 登録日 2020-11-27 公開日 2022-02-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc., 144, 2022
5WNQ	Crystal Structure of 30S ribosomal subunit from Thermus thermophilus 分子名称: 16S Ribosomal RNA rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... 著者 DeMirci, H. 登録日 2017-08-01 公開日 2018-02-21 最終更新日 2020-10-21 実験手法 X-RAY DIFFRACTION (3.5 Å) 主引用文献 2'-O-methylation in mRNA disrupts tRNA decoding during translation elongation. Nat. Struct. Mol. Biol., 25, 2018

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