PDB: 37224 件ウェブページステータス検索Chemie searchBIRD

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8JUA	Multifunctional cytochrome P450 enzyme IkaD from Streptomyces sp. ZJ306, in complex with epoxyikarugamycin 分子名称: (1Z,3E,5S,7R,8R,10R,11R,12S,13R,15S,16R,17S,19Z,26S)-11-ethyl-2-hydroxy-10-methyl-22,27-diaza-14 oxahexacyclo[24.2.1.05,17.07,16.013,15.08,12]nonacosa-1(2),3,19-triene-21,28,29-trione, Cytochrome P450, FORMIC ACID, ... 著者 Zhang, Y.L, Zhang, L.P, Zhang, C.S. 登録日 2023-06-26 公開日 2023-11-15 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.00001121 Å) 主引用文献 A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates. Angew.Chem.Int.Ed.Engl., 62, 2023
5X7K	Crystal structure of the nucleotide-binding domain (NBD) of LipB, a ABC transporter subunit of a type I secretion system 分子名称: Lipase B 著者 Okano, H, Angkawidjaja, C, Takano, K. 登録日 2017-02-27 公開日 2017-11-15 最終更新日 2017-12-13 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Structural Basis for the Serratia marcescens Lipase Secretion System: Crystal Structures of the Membrane Fusion Protein and Nucleotide-Binding Domain Biochemistry, 56, 2017
8EBZ	Crystal Structure of GMPPNP-bound KRAS-G13D mutant at 1.2 Ang resolution 分子名称: Isoform 2B of GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER 著者 Chan, A.H, Simanshu, D.K. 登録日 2022-08-31 公開日 2023-06-07 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Reduced dynamic complexity allows structure elucidation of an excited state of KRAS G13D . Commun Biol, 6, 2023
6LUR	Human PUF60 UHM domain (thioredoxin fusion) in complex with a small molecule binder 分子名称: 4-[2-[4-(aminomethyl)phenyl]phenyl]piperazin-2-one, Thioredoxin 1,Poly(U)-binding-splicing factor PUF60 著者 Takahashi, M, Hanzawa, H. 登録日 2020-01-30 公開日 2020-04-29 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Revisiting biomolecular NMR spectroscopy for promoting small-molecule drug discovery. J.Biomol.Nmr, 74, 2020
8K5C	Cryo-EM structure of Acipimox bound human hydroxy-carboxylic acid receptor 2 (Local refinement) 分子名称: 5-methyl-4-oxidanyl-pyrazin-4-ium-2-carboxylic acid, Human hydroxycarboxylic acid receptor 2 著者 Park, J.H, Ishimoto, N, Park, S.Y. 登録日 2023-07-21 公開日 2023-11-22 最終更新日 2024-05-08 実験手法 ELECTRON MICROSCOPY (3.13 Å) 主引用文献 Structural basis for ligand recognition and signaling of hydroxy-carboxylic acid receptor 2. Nat Commun, 14, 2023
8JNO	Crystal structure of cytochrome P450 IkaD from Streptomyces sp. ZJ306, in complex with the substrate 10-epi-deOH-HSAF 分子名称: (1Z,3E,5S,7S,8R,9S,10S,11R,13R,15R,16S,18Z,25S)-11-ethyl-2,7-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.09,13.08,15.05,16]octacosa-1(2),3,18-triene-20,27,28-trione, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Zhang, Y.L, Zhang, L.P, Zhang, C.S. 登録日 2023-06-06 公開日 2023-11-22 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates. Angew.Chem.Int.Ed.Engl., 62, 2023
8K5D	Cryo-EM structure of GSK256073 bound human hydroxy-carboxylic acid receptor 2 (Local refinement) 分子名称: 8-chloranyl-3-pentyl-7H-purine-2,6-dione, Human hydroxycarboxylic acid receptor 2 著者 Park, J.H, Ishimoto, N, Park, S.Y. 登録日 2023-07-21 公開日 2023-11-22 最終更新日 2024-05-08 実験手法 ELECTRON MICROSCOPY (3.74 Å) 主引用文献 Structural basis for ligand recognition and signaling of hydroxy-carboxylic acid receptor 2. Nat Commun, 14, 2023
8K5B	Cryo-EM structure of niacin bound human hydroxy-carboxylic acid receptor 2 (Local refinement) 分子名称: Human Hydroxycarboxylic acid receptor 2, NICOTINIC ACID 著者 Park, J.H, Ishimoto, N, Park, S.Y. 登録日 2023-07-21 公開日 2023-11-22 最終更新日 2024-05-08 実験手法 ELECTRON MICROSCOPY (3.43 Å) 主引用文献 Structural basis for ligand recognition and signaling of hydroxy-carboxylic acid receptor 2. Nat Commun, 14, 2023
5XCO	Crystal structure of human K-Ras G12D Mutant in complex with GDP and Cyclic Inhibitory Peptide 分子名称: 1,2-ETHANEDIOL, ACE-ARG-ARG-ARG-ARG-CYS-PRO-LEU-TYR-ILE-SER-TYR-ASP-PRO-VAL-CYS-ARG-ARG-ARG-ARG-NH2, GTPase KRas, ... 著者 Sogabe, S, Miwa, M. 登録日 2017-03-23 公開日 2017-05-24 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Crystal Structure of a Human K-Ras G12D Mutant in Complex with GDP and the Cyclic Inhibitory Peptide KRpep-2d ACS Med Chem Lett, 8, 2017
6LTL	The dimeric structure of G80A myoglobin 分子名称: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE 著者 Nagao, S, Suda, A, Kobayashi, H, Shibata, N, Higuchi, Y, Hirota, S. 登録日 2020-01-22 公開日 2020-05-06 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Thermodynamic Control of Domain Swapping by Modulating the Helical Propensity in the Hinge Region of Myoglobin. Chem Asian J, 15, 2020
6JIK	Aspergillus fumigatus Rho1 GsGTP 分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Rho GTPase Rho1 著者 Bartual, S.G, Van Aalten, D.M.F. 登録日 2019-02-22 公開日 2020-09-02 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Aspergillus fumigatus Rho1 gSGTP complex To Be Published
6LYW	Structural insight into the biological functions of Arabidopsis thaliana ACHT1 分子名称: GLYCEROL, SULFATE ION, Thioredoxin-like 2-1, ... 著者 Wang, J.C, Pan, W.M, Wang, M.Z, Zhang, M. 登録日 2020-02-16 公開日 2020-05-13 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structural insight into the biological functions of Arabidopsis thaliana ACHT1. Int.J.Biol.Macromol., 158, 2020
6YIX	Trypsin inhibitor in complex with bovine trypsin 分子名称: Cationic trypsin, DIMETHYL SULFOXIDE, SULFATE ION, ... 著者 Badran, M.J, Heine, A, Klebe, G. 登録日 2020-04-01 公開日 2020-12-02 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.31 Å) 主引用文献 Trypsin inhibitor in complex with bovine trypsin To Be Published
6YJC	Crystal structure of p38alpha in complex with SR154 分子名称: 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 著者 Joerger, A.C, Schroeder, M, Roehm, S, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2020-04-02 公開日 2020-07-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.74100935 Å) 主引用文献 Selective targeting of the alpha C and DFG-out pocket in p38 MAPK. Eur.J.Med.Chem., 208, 2020
5XW1	Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, PRN, at pH10 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Acetylated-Pro-Arg-Asn Inhibitor, CALCIUM ION, ... 著者 Saikhedkar, N.S, Bhoite, A.S, Giri, A.P, Kulkarni, K.A. 登録日 2017-06-28 公開日 2018-07-04 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Reactive centre loop peptides devoid of potato protease inhibitor-II protein scaffold inhibit serine proteases To Be Published
6YIV	Trypsin inhibitor in complex with bovine trypsin 分子名称: Cationic trypsin, DIMETHYL SULFOXIDE, SULFATE ION, ... 著者 Badran, M.J, Heine, A, Klebe, G. 登録日 2020-04-01 公開日 2020-12-02 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (0.95 Å) 主引用文献 Trypsin inhibitor in complex with bovine trypsin To Be Published
5XW8	Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, PRN, at pH 7 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Acetylated-Pro-Arg-Asn Inhibitor, CALCIUM ION, ... 著者 Saikhedkar, N.S, Bhoite, A.S, Giri, A.P, Kulkarni, K.A. 登録日 2017-06-29 公開日 2018-03-28 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.002 Å) 主引用文献 Tripeptides derived from reactive centre loop of potato type II protease inhibitors preferentially inhibit midgut proteases of Helicoverpa armigera. Insect Biochem. Mol. Biol., 95, 2018
6LXI	Crystal structure of Z2B3 Fab in complex with influenza virus neuraminidase from A/Brevig Mission/1/1918 (H1N1) 分子名称: CALCIUM ION, Heavy chain of Z2B3 Fab, Light chain of Z2B3 Fab, ... 著者 Jiang, H, Peng, W, Qi, J, Chai, Y, Song, H, Shi, Y, Gao, G.F, Wu, Y. 登録日 2020-02-11 公開日 2020-12-02 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structure-Based Modification of an Anti-neuraminidase Human Antibody Restores Protection Efficacy against the Drifted Influenza Virus. Mbio, 11, 2020
8DQT	Human PDK1 kinase domain in complex with Valsartan 分子名称: (2~{S})-3-methyl-2-[pentanoyl-[[4-[2-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL 著者 Gross, L.Z.F, Klinke, S, Biondi, R.M. 登録日 2022-07-19 公開日 2023-06-21 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.31 Å) 主引用文献 Modulation of the substrate specificity of the kinase PDK1 by distinct conformations of the full-length protein. Sci.Signal., 16, 2023
5XX3	A BPTI-[5,55] variant with C14GA38G mutations 分子名称: Pancreatic trypsin inhibitor, SULFATE ION 著者 Islam, M.M. 登録日 2017-07-01 公開日 2018-07-04 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.12 Å) 主引用文献 Hydrophobic surface residues can stabilize a protein through improved water-protein interactions. Febs J., 2019
6YL6	Cdk2(F80C) 分子名称: Cyclin-dependent kinase 2 著者 Craven, G, Morgan, R.M.L, Mann, D.J. 登録日 2020-04-06 公開日 2020-07-22 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Multiparameter Kinetic Analysis for Covalent Fragment Optimization by Using Quantitative Irreversible Tethering (qIT). Chembiochem, 21, 2020
5XX8	Hetero-micro-seeding: Crystal structure of BPTI-[555]C14GA38I variant using micro-seeds from -C14GA38L variant 分子名称: Pancreatic trypsin inhibitor, SULFATE ION 著者 Islam, M.M. 登録日 2017-07-01 公開日 2018-07-04 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 A hetero-micro-seeding strategy for readily crystallizing closely related protein variants Biochem. Biophys. Res. Commun., 493, 2017
8WP9	Small-heat shock protein from Methanocaldococcus jannaschii, Hsp16.5 分子名称: Small heat shock protein HSP16.5 著者 Lee, J, Ryu, B, Kim, T, Kim, K.K. 登録日 2023-10-09 公開日 2023-12-27 実験手法 ELECTRON MICROSCOPY (2.49 Å) 主引用文献 Cryo-EM structure of a 16.5-kDa small heat-shock protein from Methanocaldococcus jannaschii. Int.J.Biol.Macromol., 258, 2024
8WE3	Crystal structure of human FABP4 complexed with C7 分子名称: 2-[(3-chloranyl-2-phenyl-phenyl)amino]-5-fluoranyl-benzoic acid, Fatty acid-binding protein, adipocyte 著者 Xie, H, Chen, G.F, Xu, Y.C, Li, M.J. 登録日 2023-09-16 公開日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Structure-based design of potent FABP4 inhibitors with high selectivity against FABP3. Eur.J.Med.Chem., 264, 2023
8WDX	Crystal structure of human FABP4 complexed with C3 分子名称: 1,2-ETHANEDIOL, 2-[(3-chloranyl-2-phenyl-phenyl)amino]-6-methyl-benzoic acid, Fatty acid-binding protein, ... 著者 Xie, H, Chen, G.F, Xu, Y.C. 登録日 2023-09-16 公開日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Structure-based design of potent FABP4 inhibitors with high selectivity against FABP3. Eur.J.Med.Chem., 264, 2023

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