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

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6HNW	Human protein kinase CK2 alpha in complex with coumestrol 分子名称: Casein kinase II subunit alpha, Coumestrol, SULFATE ION 著者 Battistutta, R, Lolli, G. 登録日 2018-09-17 公開日 2019-08-07 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Inhibitory Properties of ATP-Competitive Coumestrol and Boldine Are Correlated to Different Modulations of CK2 Flexibility. J.Nat.Prod., 82, 2019
5EC7	Crystal structure of a chimeric c-Src-SH3 domain with the sequence of the RT-loop from the Abl-SH3 domain at pH 5.0 分子名称: DI(HYDROXYETHYL)ETHER, Proto-oncogene tyrosine-protein kinase Src 著者 Camara-Artigas, A. 登録日 2015-10-20 公開日 2016-11-09 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Crystal structure of a chimeric c-Src-SH3 domain with the sequence of the RT-loop from the Abl-SH3 domain at pH 5.0 to be published
8AY5	Human rhinovirus 2 empty particle in situ 分子名称: Capsid protein VP1, Capsid protein VP2, VP3 著者 Ishemgulova, A, Mukhamedova, L, Trebichalska, Z, Payne, P, Smerdova, L, Moravcova, J, Hrebik, D, Buchta, D, Skubnik, K, Fuzik, T, Novacek, J, Plevka, P. 登録日 2022-09-01 公開日 2023-09-13 実験手法 ELECTRON MICROSCOPY (7.1 Å) 主引用文献 Endosome rupture enables enteroviruses to infect cells. To Be Published
8B1Y	STRUCTURE OF PORCINE PANCREATIC ELASTASE BOUND TO A FRAGMENT OF A 5-AZAINDAZOLE INHIBITOR 分子名称: 1-cyclopropylcarbonylpyrazolo[4,3-c]pyridine-3-carbonitrile, CALCIUM ION, Chymotrypsin-like elastase family member 1, ... 著者 Ferraroni, M, Giovannoni, P, Gerace, A. 登録日 2022-09-12 公開日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.12 Å) 主引用文献 X-ray structural study of human neutrophil elastase inhibition with a series of azaindoles, azaindazoles and isoxazolones J.Mol.Struct., 1274, 2023
3DE5	roteinase K by Classical hanging drop method after the second step of high X-Ray dose on ESRF ID23-1 beamline 分子名称: CALCIUM ION, Proteinase K 著者 Pechkova, E, Tripathi, S.K, Nicolini, C. 登録日 2008-06-08 公開日 2009-06-09 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Radiation stability of proteinase K crystals grown by LB nanotemplate method J.Struct.Biol., 168, 2009
6HU5	STRUCTURE OF HEWL BY ELECTRON DIFFRACTION AND MICROFOCUS DIFFRACTION 分子名称: CHLORIDE ION, Lysozyme C 著者 Garau, G. 登録日 2018-10-05 公開日 2019-01-23 最終更新日 2019-07-17 実験手法 ELECTRON CRYSTALLOGRAPHY (2.8 Å) 主引用文献 Nanobeam precession-assisted 3D electron diffraction reveals a new polymorph of hen egg-white lysozyme. Iucrj, 6, 2019
5DZM	HIV-1 Reverse Transcriptase RH domain 分子名称: Ribonuclease H 著者 Pedersen, L.C, London, R.E, Gabel, S.A, Zheng, X.H. 登録日 2015-09-25 公開日 2016-05-11 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Unfolding the HIV-1 reverse transcriptase RNase H domain - how to lose a molecular tug-of-war. Nucleic Acids Res., 44, 2016
5DMJ	Structure of the extracellular domain of the CD40 in complex with 3H56-5 DAB 分子名称: 3H65-5 domain antibody (dAb), POTASSIUM ION, Tumor necrosis factor receptor superfamily member 5 著者 Sheriff, S. 登録日 2015-09-08 公開日 2016-06-01 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.79 Å) 主引用文献 Functional Antagonism of Human CD40 Achieved by Targeting a Unique Species-Specific Epitope. J.Mol.Biol., 428, 2016
6HEB	Influenza A Virus N9 Neuraminidase complex with Oseltamivir (Tern). 分子名称: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... 著者 Salinger, M.T, Hobbs, J.R, Murray, J.W, Laver, W.G, Kuhn, P, Garman, E.F. 登録日 2018-08-20 公開日 2018-08-29 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 High Resolution Structures of Viral Neuraminidase with Drugs Bound in the Active Site. To Be Published
3DHT	The Crystal Structure Determination of Rat (rattus norvegicus) Hemoglobin 分子名称: Hemoglobin subunit alpha-1/2, Hemoglobin subunit beta-1, PROTOPORPHYRIN IX CONTAINING FE 著者 Neelagandan, K, Sathya Moorthy, P, Balasubramanian, M, Sundaresan, S, Ponnuswamy, M.N. 登録日 2008-06-18 公開日 2009-06-30 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.98 Å) 主引用文献 The Crystal Structure Determination of Rat (rattus norvegicus) Hemoglobin To be Published
3D8Z	RNase A- 5'-Deoxy-5'-N-pyrrolidinothymidine complex 分子名称: 1-(2,5-dideoxy-5-pyrrolidin-1-yl-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione, CITRATE ANION, Ribonuclease pancreatic 著者 Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G. 登録日 2008-05-26 公開日 2009-02-10 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 Morpholino, piperidino, and pyrrolidino derivatives of pyrimidine nucleosides as inhibitors of ribonuclease A: synthesis, biochemical, and crystallographic evaluation J.Med.Chem., 52, 2009
3D9A	High Resolution Crystal Structure Structure of HyHel10 Fab Complexed to Hen Egg Lysozyme 分子名称: Heavy Chain of HyHel10 Antibody Fragment (Fab), Light Chain of HyHel10 Antibody Fragment (Fab), Lysozyme C 著者 DeSantis, M.E, Li, M, Shanmuganathan, A, Acchione, M, Walter, R, Wlodawer, A, Smith-Gill, S. 登録日 2008-05-27 公開日 2008-06-10 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Light chain somatic mutations change thermodynamics of binding and water coordination in the HyHEL-10 family of antibodies. Mol.Immunol., 47, 2009
6U81	Crystal Structure of the Double Homeodomain of DUX4 in Complex with a DNA aptamer 分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*GP*CP*GP*TP*AP*AP*TP*CP*TP*AP*AP*TP*CP*AP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*TP*GP*AP*TP*TP*AP*GP*CP*CP*CP*AP*TP*TP*AP*CP*GP*C)-3'), ... 著者 Shi, K, Aihara, H. 登録日 2019-09-04 公開日 2020-02-19 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.34 Å) 主引用文献 DNA aptamers against the DUX4 protein reveal novel therapeutic implications for FSHD. Faseb J., 34, 2020
8ACM	Crystal structure of WT p38alpha 分子名称: 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, MAGNESIUM ION, Mitogen-activated protein kinase 14 著者 Pous, J, Baginski, B, Gonzalez, L, Macias, M.J, Nebreda, A.R. 登録日 2022-07-05 公開日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.14 Å) 主引用文献 Crystal structure of WT p38alpha Res Sq
8ACO	Crystal structure of WT p38alpha 分子名称: 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, MAGNESIUM ION, Mitogen-activated protein kinase 14 著者 Pous, J, Baginski, B, Gonzalez, L, Macias, M.J, Nebreda, A.R. 登録日 2022-07-05 公開日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Crystal structure of WT p38alpha Res Sq
6GRA	Human AURKA bound to BRD-7880 分子名称: 1-[(2~{R},3~{S})-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-6-oxidanylidene-5-[(2~{S})-1-oxidanylpropan-2-yl]-3,4-dihydro-2~{H}-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea, Aurora kinase A 著者 Abdul Azeez, K.R, Sorrell, F.J, von Delft, F, Bountra, C, Knapp, S, Edwards, A.M, Arrowsmith, C, Elkins, J.M. 登録日 2018-06-10 公開日 2019-05-15 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Aurora kinase A bound to BRD-7880 To Be Published
5E53	Crystal structure of chicken CNTN1 FN1-FN3 domains 分子名称: Contactin-1, IMIDAZOLE 著者 Nikolaienko, R.M, Bouyain, S. 登録日 2015-10-07 公開日 2016-08-31 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.497 Å) 主引用文献 Structural Basis for Interactions Between Contactin Family Members and Protein-tyrosine Phosphatase Receptor Type G in Neural Tissues. J.Biol.Chem., 291, 2016
5DQ4	Endothiapepsin in complex with fragment 66 分子名称: 1-[6-(furan-2-yl)pyridin-3-yl]methanamine, Endothiapepsin, GLYCEROL 著者 Radeva, N, Heine, A, Klebe, G. 登録日 2015-09-14 公開日 2016-09-28 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.15 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library to be published
3DPP	Crystal structure of the substrate binding domain of E. coli DnaK in complex with a long pyrrhocoricin-derived inhibitor peptide (form A) 分子名称: Chaperone protein dnaK, SULFATE ION, inhibitor peptide 著者 Roujeinikova, A. 登録日 2008-07-09 公開日 2009-03-10 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Allosteric coupling between the lid and interdomain linker in DnaK revealed by inhibitor binding studies. J.Bacteriol., 191, 2009
5DR0	Endothiapepsin in complex with fragment 203 分子名称: 1,2-ETHANEDIOL, 5-(methylsulfanyl)-4-(propan-2-ylsulfonyl)-1H-pyrazol-3-amine, ACETATE ION, ... 著者 Schiebel, J, Heine, A, Klebe, G. 登録日 2015-09-15 公開日 2016-09-28 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
6UNL	CYP3A4 bound to an inhibitor 分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-3-(naphthalen-1-yl)-1-oxo-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate 著者 Sevrioukova, I. 登録日 2019-10-12 公開日 2020-02-05 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 An increase in side-group hydrophobicity largely improves the potency of ritonavir-like inhibitors of CYP3A4. Bioorg.Med.Chem., 28, 2020
5DQN	Polyethylene 600-bound form of P450 CYP125A3 mutant from Myobacterium Smegmatis - W83Y 分子名称: CITRIC ACID, Cytochrome P450 CYP125, PENTAETHYLENE GLYCOL, ... 著者 Ortiz de Montellano, P.J, Frank, D.J, Waddling, C.A. 登録日 2015-09-15 公開日 2015-11-18 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.262 Å) 主引用文献 Cytochrome P450 125A4, the Third Cholesterol C-26 Hydroxylase from Mycobacterium smegmatis. Biochemistry, 54, 2015
6H3B	Lysozyme: Machining protein microcrystals for structure determination by electron diffraction 分子名称: CHLORIDE ION, Lysozyme C 著者 Duyvesteyn, H.M.E, Ginn, H.M, Stuart, D.I. 登録日 2018-07-18 公開日 2018-09-12 最終更新日 2022-03-30 実験手法 ELECTRON CRYSTALLOGRAPHY (1.9 Å) 主引用文献 Machining protein microcrystals for structure determination by electron diffraction. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6H3K	Introduction of a methyl group curbs metabolism of pyrido[3,4-d]pyrimidine MPS1 inhibitors and enables the discovery of the Phase 1 clinical candidate BOS172722. 分子名称: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Dual specificity protein kinase TTK, ~{N}8-(2,2-dimethylpropyl)-~{N}2-[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-methyl-pyrido[3,4-d]pyrimidine-2,8-diamine 著者 Woodward, H.L, Hoelder, S. 登録日 2018-07-19 公開日 2018-09-19 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.48 Å) 主引用文献 Introduction of a Methyl Group Curbs Metabolism of Pyrido[3,4- d]pyrimidine Monopolar Spindle 1 (MPS1) Inhibitors and Enables the Discovery of the Phase 1 Clinical Candidate N2-(2-Ethoxy-4-(4-methyl-4 H-1,2,4-triazol-3-yl)phenyl)-6-methyl- N8-neopentylpyrido[3,4- d]pyrimidine-2,8-diamine (BOS172722). J. Med. Chem., 61, 2018
6GV4	High-resolution Cryo-EM of Fab-labeled human parechovirus 3 分子名称: AT12-015 antibody variable heavy, AT12-015 antibody variable light, RNA (5'-R(*UP*GP*GP*UP*AP*UP*UP*U)-3'), ... 著者 Domanska, A, Flatt, J.W, Jukonen, J.J.J, Geraets, J.A, Butcher, S.J. 登録日 2018-06-20 公開日 2018-11-21 最終更新日 2024-05-22 実験手法 ELECTRON MICROSCOPY (2.8 Å) 主引用文献 A 2.8-Angstrom-Resolution Cryo-Electron Microscopy Structure of Human Parechovirus 3 in Complex with Fab from a Neutralizing Antibody. J.Virol., 93, 2019

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