PDB: 30805 件ウェブページステータス検索Chemie searchBIRD

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7OAL	Crystal structure of pseudokinase CASK in complex with compound 25 分子名称: 1,2-ETHANEDIOL, 2-[[2,5-bis(bromanyl)-4-methyl-phenyl]methylamino]-4-(cyclohexylamino)-N-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide, Peripheral plasma membrane protein CASK 著者 Chaikuad, A, Russ, N, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2021-04-19 公開日 2021-05-19 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.17 Å) 主引用文献 Design and Development of a Chemical Probe for Pseudokinase Ca 2+ /calmodulin-Dependent Ser/Thr Kinase. J.Med.Chem., 64, 2021
6VYJ	Human UHRF1 TTD domain in complex with a fragment 分子名称: 2,4-dimethylpyridine, E3 ubiquitin-protein ligase UHRF1, beta-D-glucopyranose 著者 Campbell, J.C, Chang, L, Young, D.W. 登録日 2020-02-26 公開日 2021-01-27 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.39 Å) 主引用文献 Discovery of small molecules targeting the tandem tudor domain of the epigenetic factor UHRF1 using fragment-based ligand discovery. Sci Rep, 11, 2021
7UU0	Crystal structure of the BRD2-BD2 in complex with a ligand 分子名称: 1,2-ETHANEDIOL, Isoform 3 of Bromodomain-containing protein 2, methyl (7S)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate 著者 Kalra, P, Shi, K, Aihara, H, Pomerantz, W.C.K. 登録日 2022-04-28 公開日 2023-05-03 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Crystal structure of the BRD2-BD2 in complex with a ligand To Be Published
7UUX	ATP binds to Cyclic GMP AMP synthase (cGAS) through Mg coordination 分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, MAGNESIUM ION, ... 著者 Wu, S, Gabelli, S.B, Sohn, J. 登録日 2022-04-29 公開日 2023-05-03 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.26 Å) 主引用文献 The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS Nat Commun, 15, 2024
8QB3	ADDobody zinc containing condition 分子名称: ADDobody, ZINC ION 著者 Buzas, D, Toelzer, C, Berger, I, Schaffitzel, C. 登録日 2023-08-24 公開日 2023-12-27 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Engineering the ADDobody protein scaffold for generation of high-avidity ADDomer super-binders. Structure, 32, 2024
5C4G	Crystal structure of an engineered construct of phosphatidylinositol 4 kinase III beta with the inhibitor BQR695 in complex with GDP loaded Rab11 分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N~2~-[7-(3,4-dimethoxyphenyl)quinoxalin-2-yl]-N-methylglycinamide, ... 著者 Burke, J.E, Fowler, M.L. 登録日 2015-06-18 公開日 2016-01-20 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Using hydrogen deuterium exchange mass spectrometry to engineer optimized constructs for crystallization of protein complexes: Case study of PI4KIII beta with Rab11. Protein Sci., 25, 2016
8QC3	Crystal structure of oxidoreductive sulfoquinovosidase from Arthrobacter sp. U41 (ArSqgA)in complex with co-factor NAD+ 分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Oxidoreductase 著者 Sharma, M, Davies, G.J. 登録日 2023-08-25 公開日 2023-12-27 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Widespread Family of NAD + -Dependent Sulfoquinovosidases at the Gateway to Sulfoquinovose Catabolism. J.Am.Chem.Soc., 145, 2023
7V03	Crystal structure of cytoplasmic triosephosphate isomerase from Cuscuta australis 分子名称: CHLORIDE ION, triosephosphate isomerase 著者 Jones, G, Vickers, C, Patrick, W, Jameson, G. 登録日 2022-05-09 公開日 2023-05-17 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Crystal structure of cytoplasmic triosephosphate isomerase from Cuscuta australis To Be Published
8QFQ	Ergothioneine dioxygenase, variant H147A, from Thermocatellispora tengchongensis in complex with manganese 分子名称: 1,2-ETHANEDIOL, ACETATE ION, Cysteine dioxygenase, ... 著者 Vasseur, C.M, Seebeck, F.P. 登録日 2023-09-04 公開日 2023-12-27 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Enzyme-Catalyzed Oxidative Degradation of Ergothioneine. Angew.Chem.Int.Ed.Engl., 63, 2024
8QFM	Ergothioneine dioxygenase from Thermocatellispora tengchongensis in complex with manganese 分子名称: 1,2-ETHANEDIOL, Cysteine dioxygenase, DI(HYDROXYETHYL)ETHER, ... 著者 Vasseur, C.M, Seebeck, F.P. 登録日 2023-09-04 公開日 2023-12-27 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Enzyme-Catalyzed Oxidative Degradation of Ergothioneine. Angew.Chem.Int.Ed.Engl., 63, 2024
6BV9	Structure of proteinaceous RNase P 1 (PRORP1) from A. thaliana after overnight soak with juglone 分子名称: 5-hydroxynaphthalene-1,4-dione, CHLORIDE ION, Proteinaceous RNase P 1, ... 著者 Karasik, A, Wu, N, Fierke, C.A, Koutmos, M. 登録日 2017-12-12 公開日 2019-06-12 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Inhibition of protein-only RNase P with Gambogic acid and Juglone To Be Published
7U4L	Crystal structure of human GPX4-U46C in complex with MAC-5576 分子名称: Phospholipid hydroperoxide glutathione peroxidase, thiophene-2-carbaldehyde 著者 Forouhar, F, Liu, H, Lin, A.J, Wang, Q, Polychronidou, V, Soni, R.K, Xia, X, Stockwell, B.R. 登録日 2022-02-28 公開日 2022-12-07 最終更新日 2022-12-28 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Small-molecule allosteric inhibitors of GPX4. Cell Chem Biol, 29, 2022
8R8A	Structure of the N-terminal domain of CMA in complex with N-acetyllactosamine 分子名称: CADMIUM ION, Nigrin b-like, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose 著者 Lundstrom, J, Varrot, A. 登録日 2023-11-28 公開日 2023-12-27 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.317 Å) 主引用文献 Elucidating the glycan-binding specificity and structure of Cucumis melo agglutinin, a new R-type lectin. Beilstein J Org Chem, 20, 2024
8R8C	Structure of the N-terminal domain of CMA from Cucumis melo in complex with N-acetylgalactosamine 分子名称: 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-galactopyranose, CADMIUM ION, ... 著者 Varrot, A. 登録日 2023-11-28 公開日 2023-12-27 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Elucidating the glycan-binding specificity and structure of Cucumis melo agglutinin, a new R-type lectin. Beilstein J Org Chem, 20, 2024
7NT0	Drosophila PGRP-LB Y78F mutant in complex with tracheal cytotoxin (TCT) 分子名称: GLCNAC(BETA1-4)-MURNAC(1,6-ANHYDRO)-L-ALA-GAMMA-D-GLU-MESO-A2PM-D-ALA, Isoform A of Peptidoglycan-recognition protein LB, ZINC ION 著者 Orlans, J, Aller, P, Da Silva, P. 登録日 2021-03-08 公開日 2021-05-19 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 PGRP-LB: An Inside View into the Mechanism of the Amidase Reaction. Int J Mol Sci, 22, 2021
6NKP	EphA2 LBD in complex with bA-WLA-YSKbio peptide 分子名称: BIOTIN, Ephrin type-A receptor 2, bA-WLA-YSKbio peptide 著者 Lechtenberg, B.C, Pasquale, E.B. 登録日 2019-01-07 公開日 2019-05-01 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.033 Å) 主引用文献 Engineering nanomolar peptide ligands that differentially modulate EphA2 receptor signaling. J.Biol.Chem., 294, 2019
7V0W	Structure of Ternary Complex of cGAS with dsDNA and Bound 5 -pppG(2,5 )pA 分子名称: ADENOSINE MONOPHOSPHATE, Cyclic GMP-AMP synthase, GUANOSINE-5'-TRIPHOSPHATE, ... 著者 Wu, S, Gabelli, S.B, Sohn, J. 登録日 2022-05-11 公開日 2023-05-17 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (2.66 Å) 主引用文献 The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS Nat Commun, 15, 2024
5AJ8	Tubulin Binding Cofactor C from Leishmania major 分子名称: TUBULIN BINDING COFACTOR C 著者 Barrack, K.L, Fyfe, P.K, Finney, A.J, Hunter, W.N. 登録日 2015-02-20 公開日 2015-04-15 最終更新日 2015-08-26 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crystal Structure of the C-Terminal Domain of Tubulin-Binding Cofactor C from Leishmania Major. Mol.Biochem.Parasitol., 201, 2015
7U4K	Crystal structure of human GPX4-U46C-R152H in complex with ML162 分子名称: 1,2-ETHANEDIOL, 2-chloro-N-(3-chloro-4-methoxyphenyl)-N-[(1R)-2-oxo-2-[(2-phenylethyl)amino]-1-(thiophen-2-yl)ethyl]acetamide, Phospholipid hydroperoxide glutathione peroxidase 著者 Forouhar, F, Liu, H, Lin, A.J, Wang, Q, Xia, X, Soni, R.K, Stockwell, B.R. 登録日 2022-02-28 公開日 2022-12-07 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.69 Å) 主引用文献 Small-molecule allosteric inhibitors of GPX4. Cell Chem Biol, 29, 2022
7OAM	Kinase domain of MERTK in complex with compound 8 分子名称: 1,2-ETHANEDIOL, 2-[[2,5-bis(fluoranyl)phenyl]methylamino]-4-(cyclopentylamino)-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide, Tyrosine-protein kinase Mer 著者 Schroeder, M, Russ, N, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2021-04-19 公開日 2021-05-19 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Design and Development of a Chemical Probe for Pseudokinase Ca 2+ /calmodulin-Dependent Ser/Thr Kinase. J.Med.Chem., 64, 2021
8QC8	Crystal structure of NAD-dependent glycoside hydrolase from Flavobacterium sp. (strain K172) in complex with co-factor NAD+ 分子名称: Gfo/Idh/MocA family oxidoreductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHATE ION 著者 Pickles, I.B, Sharma, M, Davies, G.J. 登録日 2023-08-25 公開日 2023-12-27 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Widespread Family of NAD + -Dependent Sulfoquinovosidases at the Gateway to Sulfoquinovose Catabolism. J.Am.Chem.Soc., 145, 2023
6NMK	Binary complex structure of the T130K mutant of ANT-4'' with Neomycin 分子名称: CALCIUM ION, Kanamycin nucleotidyltransferase, MAGNESIUM ION, ... 著者 Cuneo, M.J, Selvaraj, B. 登録日 2019-01-11 公開日 2020-01-15 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 'Catch and Release": a Variation of the Archetypal Nucleotidyl Transfer Reaction Acs Catalysis, 2020
8QFP	Ergothioneine dioxygenase from Thermocatellispora tengchongensis in complex with manganese and in presence of catalase anaerobic 分子名称: CHLORIDE ION, Cysteine dioxygenase, MAGNESIUM ION, ... 著者 Vasseur, C.M, Seebeck, F.P. 登録日 2023-09-04 公開日 2023-12-27 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Enzyme-Catalyzed Oxidative Degradation of Ergothioneine. Angew.Chem.Int.Ed.Engl., 63, 2024
6BT9	Chitinase ChiA74 from Bacillus thuringiensis 分子名称: CALCIUM ION, Chitinase 著者 Juarez-Hernandez, E, Brieba, L.G, Torres-Larios, A, Jimenez-Sandoval, P, Barboza-Corona, J. 登録日 2017-12-05 公開日 2019-03-06 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.26 Å) 主引用文献 The crystal structure of the chitinase ChiA74 of Bacillus thuringiensis has a multidomain assembly. Sci Rep, 9, 2019
7ULB	recombinant Mambalgin-1 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Mambalgin-1 著者 Xu, J, Lei, X, Chen, L. 登録日 2022-04-04 公開日 2023-05-03 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.49 Å) 主引用文献 Structure of recombinant mambalgin at 2.49 Angstroms resolution. To Be Published

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