PDB: 66507 件ウェブページステータス検索Chemie searchBIRD

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3UM7	Crystal structure of the human two pore domain K+ ion channel TRAAK (K2P4.1) 分子名称: POTASSIUM ION, Potassium channel subfamily K member 4 著者 Brohawn, S.G, MacKinnon, R. 登録日 2011-11-12 公開日 2012-02-08 実験手法 X-RAY DIFFRACTION (3.31 Å) 主引用文献 Crystal structure of the human K2P TRAAK, a lipid- and mechano-sensitive K+ ion channel. Science, 335, 2012
4FI4	Crystal structure of mannonate dehydratase PRK15072 (TARGET EFI-502214) from Caulobacter sp. K31 分子名称: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... 著者 Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) 登録日 2012-06-07 公開日 2012-06-27 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal Structure of Enolase Prk15072 (Target Efi-502214) from Caulobacter Sp. K31 To be Published
8EPO	Co-crystal structure of Chaetomium glucosidase with compound 18 分子名称: (3P)-3-(5,6-dihydro-1,4-dioxin-2-yl)-5-{[(3-{[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl}phenyl)methyl]amino}benzonitrile, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Karade, S.S, Mariuzza, R.A. 登録日 2022-10-06 公開日 2023-02-22 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity. J.Med.Chem., 66, 2023
3UQG	c-SRC kinase domain in complex with bumpless BKI analog UW1243 分子名称: 1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src 著者 Merritt, E.A, Larson, E.T. 登録日 2011-11-20 公開日 2012-03-14 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1. J.Med.Chem., 55, 2012
4FJM	RB69 DNA polymerase ternary complex with dCTP/dA 分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ... 著者 Xia, S, Wang, J, Konigsberg, W.H. 登録日 2012-06-11 公開日 2012-12-19 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 DNA mismatch synthesis complexes provide insights into base selectivity of a B family DNA polymerase. J.Am.Chem.Soc., 135, 2013
3UMJ	Crystal Structure of D311E Lipase 分子名称: CALCIUM ION, CHLORIDE ION, GLYCEROL, ... 著者 Ruslan, R, Rahman, R.N.Z.R.A, Leow, T.C, Ali, M.S.M, Basri, M, Salleh, A.B. 登録日 2011-11-13 公開日 2012-02-22 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Improvement of Thermal Stability via Outer-Loop Ion Pair Interaction of Mutated T1 Lipase from Geobacillus zalihae Strain T1 Int J Mol Sci, 13, 2012
8EUD	Co-crystal structure of Chaetomium glucosidase with compound 22 分子名称: (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{6-[2-methyl-5-(pyrimidin-2-yl)-1H-benzimidazol-1-yl]hexyl}piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Karade, S.S, Mariuzza, R.A. 登録日 2022-10-18 公開日 2023-02-22 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.37 Å) 主引用文献 Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity. J.Med.Chem., 66, 2023
4FK7	Crystal structure of Certhrax catalytic domain 分子名称: CHLORIDE ION, N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, Putative ADP-ribosyltransferase Certhrax, ... 著者 Hong, B.S, Dimov, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Park, H, Structural Genomics Consortium (SGC) 登録日 2012-06-12 公開日 2012-09-26 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Certhrax Toxin, an Anthrax-related ADP-ribosyltransferase from Bacillus cereus. J.Biol.Chem., 287, 2012
3UQX	Crystal structure of BACE1 with its inhibitor 分子名称: Beta-secretase 1, CHLORIDE ION, N-[(1R)-1-(4-fluorophenyl)ethyl]-N'-[(2S,3S)-3-hydroxy-4-{4-[(1S)-1-hydroxyethyl]-1H-1,2,3-triazol-1-yl}-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide, ... 著者 Chen, T.T, Chen, W.Y, Xu, Y.C. 登録日 2011-11-21 公開日 2012-11-21 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Flexibility of the Flap in the Active Site of BACE1 as Revealed by Crystal Structures and MD simulations to be published
4FKA	High resolution structure of the manganese derivative of insulin 分子名称: Insulin A chain, Insulin B chain, MANGANESE (II) ION, ... 著者 Prugovecki, B, Pulic, I, Toth, M, Matkovic-Calogovic, D. 登録日 2012-06-13 公開日 2013-02-13 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.08 Å) 主引用文献 High Resolution Structure of the Manganese Derivative of Insulin Croat.Chem.Acta, 85, 2012
4FJP	Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Naproxen at 1.68 A Resolution 分子名称: (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid, 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 Shukla, P.K, Gautam, L, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. 登録日 2012-06-12 公開日 2012-06-27 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Naproxen at 1.68 A Resolution To be Published
6X5Y	IDO1 in complex with compound 4 分子名称: 4-fluoro-N-{1-[5-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl]cyclopropyl}benzamide, Indoleamine 2,3-dioxygenase 1 著者 Lesburg, C.A, Lammens, A. 登録日 2020-05-27 公開日 2021-06-02 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Utilization of MetID and Structural Data to Guide Placement of Spiro and Fused Cyclopropyl Groups for the Synthesis of Low Dose IDO1 Inhibitors To Be Published
4FKE	Crystal structure of porcine aminopeptidase-N 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Chen, L, Lin, Y.L, Peng, G, Li, F. 登録日 2012-06-13 公開日 2012-10-17 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Structural basis for multifunctional roles of mammalian aminopeptidase N. Proc.Natl.Acad.Sci.USA, 109, 2012
3UNF	Mouse 20S immunoproteasome in complex with PR-957 分子名称: 1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol, CHLORIDE ION, IODIDE ION, ... 著者 Huber, E, Basler, M, Schwab, R, Heinemeyer, W, Kirk, C, Groettrup, M, Groll, M. 登録日 2011-11-15 公開日 2012-02-29 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Immuno- and constitutive proteasome crystal structures reveal differences in substrate and inhibitor specificity. Cell(Cambridge,Mass.), 148, 2012
1IW9	Crystal Structure of the M Intermediate of Bacteriorhodopsin 分子名称: 2,3-DI-O-PHYTANLY-3-SN-GLYCERO-1-PHOSPHORYL-3'-SN-GLYCEROL-1'-PHOSPHATE, 2,3-DI-PHYTANYL-GLYCEROL, RETINAL, ... 著者 Takeda, K, Matsui, Y, Kamiya, N, Adachi, S, Okumura, H, Kouyama, T, RIKEN Structural Genomics/Proteomics Initiative (RSGI) 登録日 2002-04-25 公開日 2003-12-23 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Crystal structure of the M intermediate of bacteriorhodopsin: allosteric structural changes mediated by sliding movement of a transmembrane helix J.Mol.Biol., 341, 2004
3UPZ	Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumpless BKI analog UW1243 分子名称: 1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1 著者 Merritt, E.A, Larson, E.T. 登録日 2011-11-18 公開日 2012-03-14 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1. J.Med.Chem., 55, 2012
4FKC	Recombinant prolidase from Thermococcus sibiricus 分子名称: CADMIUM ION, Xaa-Pro aminopeptidase 著者 Trofimov, A.A, Slutskaya, E.S, Polyakov, K.M, Dorovatovskii, P.V, Gumerov, V.M, Popov, V.O. 登録日 2012-06-13 公開日 2012-11-07 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Influence of intermolecular contacts on the structure of recombinant prolidase from Thermococcus sibiricus. Acta Crystallogr.,Sect.F, 68, 2012
4FMM	Dimeric Sec14 family homolog 3 from Saccharomyces cerevisiae presents some novel features of structure that lead to a surprising "dimer-monomer" state change induced by substrate binding 分子名称: GLYCEROL, MAGNESIUM ION, Phosphatidylinositol transfer protein PDR16 著者 Yuan, Y, Zhao, W, Wang, X, Gao, Y, Niu, L, Teng, M. 登録日 2012-06-18 公開日 2013-02-27 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.34 Å) 主引用文献 Dimeric Sfh3 has structural changes in its binding pocket that are associated with a dimer-monomer state transformation induced by substrate binding. Acta Crystallogr.,Sect.D, 69, 2013
3US8	Crystal Structure of an isocitrate dehydrogenase from Sinorhizobium meliloti 1021 分子名称: Isocitrate dehydrogenase [NADP], SULFATE ION 著者 Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) 登録日 2011-11-23 公開日 2011-12-14 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Crystal Structure of an isocitrate dehydrogenase from Sinorhizobium meliloti 1021 To be Published
3UQA	Crystal structure of a SMT fusion Peptidyl-prolyl cis-trans isomerase with surface mutation A54E from Burkholderia pseudomallei complexed with FK506 分子名称: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2011-11-19 公開日 2011-12-07 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 A structural biology approach enables the development of antimicrobials targeting bacterial immunophilins. Antimicrob.Agents Chemother., 58, 2014
4WIV	Crystal Structure of the first bromodomain of human BRD4 in complex with a novel inhibitor UMB32 (N-TERT-BUTYL-2-[4-(3,5-DIMETHYL-1,2-OXAZOL-4-YL) PHENYL]IMIDAZO[1,2-A]PYRAZIN-3-AMINE) 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ... 著者 Xu, X, Blacklow, S. 登録日 2014-09-26 公開日 2014-10-29 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.56 Å) 主引用文献 Biased multicomponent reactions to develop novel bromodomain inhibitors. J.Med.Chem., 57, 2014
4FKO	Crystal structure of the cdk2 in complex with thiazolylpyrimidine inhibitor 分子名称: 2-chloro-N~4~-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N~1~,N~1~-dimethylbenzene-1,4-diamine, ACETATE ION, Cyclin-dependent kinase 2 著者 Kang, Y.N, Stuckey, J.A. 登録日 2012-06-13 公開日 2013-05-08 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Crystal structure of the cdk2 in complex with thiazolylpyrimidine inhibitor To be Published
3USS	Crystal structure of Cysteine dioxygenase from Pseudomonas aeruginosa 分子名称: CHLORIDE ION, FE (II) ION, Putative uncharacterized protein, ... 著者 Wilbanks, S.M, Tchesnokov, E.P, Jameson, G.N.L. 登録日 2011-11-23 公開日 2012-01-18 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Crystal Structure, Kinetics and M ssbauer Spectroscopic Studies of a Bacterial Cysteine Dioxygenase To be Published
4FMP	Crystal structure of thermostable, organic-solvent tolerant lipase from Geobacillus sp. strain ARM 分子名称: CALCIUM ION, Lipase, ZINC ION 著者 Nisbar, N.D, Rahman, R.N.Z.R.A, Ali, M.S.M, Leow, A.T.C. 登録日 2012-06-18 公開日 2013-07-31 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Crystallization of novel ARM lipase and elucidation of its space-grown crystal structure Thesis, 2013
6XKD	Structure of ligand-bound mouse cGAMP hydrolase ENPP1 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... 著者 Fernandez, D, Li, L. 登録日 2020-06-26 公開日 2021-06-02 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Structure-Aided Development of Small-Molecule Inhibitors of ENPP1, the Extracellular Phosphodiesterase of the Immunotransmitter cGAMP. Cell Chem Biol, 27, 2020

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