PDB: 37044 件ウェブページステータス検索Chemie searchBIRD

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5U6W	The crystal structure of 4-methylaminobenzoate-bound CYP199A4 分子名称: 4-(methylamino)benzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Coleman, T, Bruning, J.B, Bell, S.G. 登録日 2016-12-09 公開日 2018-06-13 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.644 Å) 主引用文献 Cytochrome P450 CYP199A4 from Rhodopseudomonas palustris Catalyzes Heteroatom Dealkylations, Sulfoxidation, and Amide and Cyclic Hemiacetal Formation Acs Catalysis, 8, 2018
7R9T	Crystal structure of HPK1 in complex with compound 17 分子名称: 6-amino-3-[(1S,3R)-4'-chloro-3-hydroxy-1',2'-dihydrospiro[cyclopentane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl]-2-fluoro-N,N-dimethylbenzamide, Hematopoietic progenitor kinase 著者 Wu, P, Lehoux, I, Wang, W. 登録日 2021-06-29 公開日 2022-01-05 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1). Acs Med.Chem.Lett., 13, 2022
7R9N	Crystal structure of HPK1 in complex with GNE1858 分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Hematopoietic progenitor kinase, ... 著者 Wu, P, Lehoux, I, Wang, W. 登録日 2021-06-29 公開日 2022-01-05 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1). Acs Med.Chem.Lett., 13, 2022
6EIS	DYRK1A in complex with JWC-055 分子名称: 1-[4-fluoranyl-2-(trifluoromethyl)phenyl]-9-(1~{H}-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A 著者 Rothweiler, U. 登録日 2017-09-19 公開日 2018-08-29 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.36 Å) 主引用文献 Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors. J. Med. Chem., 61, 2018
7RJI	BthTX-II variant b, from Bothrops jararacussu venom, complexed with stearic acid 分子名称: BthTX-IIb, SODIUM ION, STEARIC ACID, ... 著者 Borges, R.J, Fontes, M.R.M. 登録日 2021-07-21 公開日 2022-01-05 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.71 Å) 主引用文献 BthTX-II from Bothrops jararacussu venom has variants with different oligomeric assemblies: An example of snake venom phospholipases A 2 versatility. Int.J.Biol.Macromol., 191, 2021
7RJZ	BthTX-II variant a, from Bothrops jararacussu venom, complexed with benzoic acid 分子名称: BENZOIC ACID, BthTX-IIa 著者 Borges, R.J, Fontes, M.R.M. 登録日 2021-07-21 公開日 2022-01-05 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 BthTX-II from Bothrops jararacussu venom has variants with different oligomeric assemblies: An example of snake venom phospholipases A 2 versatility. Int.J.Biol.Macromol., 191, 2021
6EKG	Crystal structure of an archaeal CheY from Methanoccocus maripaludis 分子名称: Chemotaxis protein CheY, MAGNESIUM ION 著者 Altegoer, F, Bange, G. 登録日 2017-09-26 公開日 2018-01-31 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.15 Å) 主引用文献 Structure and function of the archaeal response regulator CheY. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6RX7	Structure of the KIV type 2 (KIV-2) domain of lipoprotein (a) 分子名称: Apolipoprotein(a), GLYCEROL, SULFATE ION 著者 Santonastaso, A, Maggi, M, Scotti, C. 登録日 2019-06-07 公開日 2020-07-08 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 High resolution structure of human apolipoprotein (a) kringle IV type 2: beyond the lysine binding site. J.Lipid Res., 61, 2020
4OOD	Structure of K42Y mutant of sperm whale myoglobin 分子名称: 1,2-ETHANEDIOL, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Lebioda, L, Wang, C, Lovelace, L.L. 登録日 2014-01-31 公開日 2014-11-26 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.24 Å) 主引用文献 Structures of K42N and K42Y sperm whale myoglobins point to an inhibitory role of distal water in peroxidase activity. Acta Crystallogr.,Sect.D, 70, 2014
6EOC	Crystal structure of AMPylated GRP78 in apo form (Crystal form 2) 分子名称: 78 kDa glucose-regulated protein, CITRATE ANION, SULFATE ION 著者 Yan, Y, Preissler, S, Ron, D, Read, R.J. 登録日 2017-10-09 公開日 2017-11-01 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 AMPylation targets the rate-limiting step of BiP's ATPase cycle for its functional inactivation. Elife, 6, 2017
6ER7	CHEMOTAXIS PROTEIN CHEY FROM Pyrococcus horikoshiI 分子名称: 120aa long hypothetical chemotaxis protein (CheY) 著者 Paithankar, K.S, Enderle, M.E, Wirthensohn, D, Grininger, M, Oesterhelt, D. 登録日 2017-10-17 公開日 2018-10-31 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.62 Å) 主引用文献 Structure of the archaeal chemotaxis protein CheY in a domain-swapped dimeric conformation. Acta Crystallogr.,Sect.F, 75, 2019
6RZQ	Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain - ANP-PnP bound state 分子名称: GLYCEROL, Heat shock protein 70, MAGNESIUM ION, ... 著者 Vakonakis, I, Day, J. 登録日 2019-06-13 公開日 2019-10-02 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.81 Å) 主引用文献 ThePlasmodium falciparumHsp70-x chaperone assists the heat stress response of the malaria parasite. Faseb J., 33, 2019
4ORS	Three-dimensional structure of the C65A mutant of Human lipocalin-type Prostaglandin D Synthase apo-form 分子名称: Prostaglandin-H2 D-isomerase, SULFATE ION 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 2023-09-20 実験手法 X-RAY DIFFRACTION (1.4 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
4OS5	Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK603 (bicyclic 2) 分子名称: SULFATE ION, Urokinase-type plasminogen activator, bicyclic peptide UK603 (bicyclic 2) 著者 Chen, S, Pojer, F, Heinis, C. 登録日 2014-02-12 公開日 2014-09-24 最終更新日 2021-06-02 実験手法 X-RAY DIFFRACTION (2.26 Å) 主引用文献 Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides. Nat Chem, 6, 2014
6ERU	Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compound RKp120 分子名称: UPF0418 protein FAM164A, cAMP-dependent protein kinase catalytic subunit alpha 著者 Mueller, J.M, Heine, A, Klebe, G. 登録日 2017-10-19 公開日 2018-10-31 最終更新日 2020-07-01 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage Acs Omega, 2019
6E5W	Crystal structure of human cellular retinol binding protein 3 in complex with abnormal-cannabidiol (abn-CBD) 分子名称: (1'R,2'R)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol, GLYCEROL, Retinol-binding protein 5 著者 Silvaroli, J.A, Banerjee, S, Kiser, P.D, Golczak, M. 登録日 2018-07-23 公開日 2019-02-13 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1. Acs Chem.Biol., 14, 2019
4OXB	Structure of ECP with sulphate anions at 1.50 Angstroms 分子名称: Eosinophil cationic protein, SULFATE ION 著者 Blanco, J.A, Boix, E, Moussaoui, M. 登録日 2014-02-05 公開日 2015-03-04 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structure of ECP at 1.50 with sulphate anions at 1.50 Angstroms To be published
4XVQ	H-Ras Y137E 分子名称: GLYCEROL, GTPase HRas, MAGNESIUM ION, ... 著者 Johnson, C.W, Mattos, C. 登録日 2015-01-27 公開日 2015-06-17 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.887 Å) 主引用文献 Tyrosine phosphorylation of RAS by ABL allosterically enhances effector binding. Faseb J., 29, 2015
6E6P	HRAS G13D bound to GppNHp (Ha,b,c13GNP) 分子名称: CALCIUM ION, GLYCEROL, GTPase HRas, ... 著者 Johnson, C.W, Mattos, C. 登録日 2018-07-25 公開日 2019-07-31 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 Isoform-Specific Destabilization of the Active Site Reveals a Molecular Mechanism of Intrinsic Activation of KRas G13D. Cell Rep, 28, 2019
6S1U	Crystal structure of dimeric M-PMV protease C7A/D26N/C106A mutant in complex with inhibitor 分子名称: Gag-Pro-Pol polyprotein, PRO-0A1-VAL-PSA-ALA-MET-THR 著者 Wosicki, S, Gilski, M, Jaskolski, M, Zabranska, H, Pichova, I. 登録日 2019-06-19 公開日 2019-10-16 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Comparison of a retroviral protease in monomeric and dimeric states. Acta Crystallogr D Struct Biol, 75, 2019
7REH	Crystal structure of T252E CYP199A4 bound to 4-methoxybenzoic acid 分子名称: 4-METHOXYBENZOIC ACID, ACETATE ION, CHLORIDE ION, ... 著者 Podgorski, M.N, Bruning, J.B, Bell, S.G. 登録日 2021-07-12 公開日 2022-02-02 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.545 Å) 主引用文献 An Altered Heme Environment in an Engineered Cytochrome P450 Enzyme Enables the Switch from Monooxygenase to Peroxygenase Activity Acs Catalysis, 2022
6S1W	Crystal structure of dimeric M-PMV protease D26N mutant 分子名称: Gag-Pro-Pol polyprotein 著者 Wosicki, S, Gilski, M, Jaskolski, M, Zabranska, H, Pichova, I. 登録日 2019-06-19 公開日 2019-10-16 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 Comparison of a retroviral protease in monomeric and dimeric states. Acta Crystallogr D Struct Biol, 75, 2019
4XX9	Crystal structure of PDK1 in complex with ATP and the PIF-pocket ligand RF4 分子名称: (2-{[2-(2,6-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetic acid, 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, ... 著者 Rettenmaier, T.J, Wells, J.A. 登録日 2015-01-29 公開日 2015-10-21 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Small-Molecule Allosteric Modulators of the Protein Kinase PDK1 from Structure-Based Docking. J.Med.Chem., 58, 2015
4XXL	Crystal structure of Class 1 cytochrome MtoD from Sideroxydans lithotrophicus ES-1 分子名称: Cytochrome c class I, HEME C 著者 Beckwith, C.R, Edwards, M.J, Clarke, T. 登録日 2015-01-30 公開日 2015-04-15 最終更新日 2019-01-23 実験手法 X-RAY DIFFRACTION (1.47 Å) 主引用文献 Characterization of MtoD from Sideroxydans lithotrophicus: a cytochrome c electron shuttle used in lithoautotrophic growth. Front Microbiol, 6, 2015
5TQ1	Phospholipase C gamma-1 C-terminal SH2 domain bound to a phosphopeptide derived from the insulin receptor 分子名称: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1, Insulin receptor 著者 Wuttke, D.S, McKercher, M.A. 登録日 2016-10-21 公開日 2017-04-19 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.485 Å) 主引用文献 Multimodal Recognition of Diverse Peptides by the C-Terminal SH2 Domain of Phospholipase C-gamma 1 Protein. Biochemistry, 56, 2017

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