PDB: 30476 件ウェブページステータス検索Chemie searchBIRD

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7S9X	Crystal structure of CDK2 liganded with compound WN378 分子名称: 2-[(9H-carbazol-3-yl)amino]-5-(trifluoromethyl)benzoic acid, Cyclin-dependent kinase 2 著者 Sun, L, Schonbrunn, E. 登録日 2021-09-21 公開日 2022-10-05 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.69 Å) 主引用文献 Development of selective allosteric inhibitors of cyclin-dependent kinase 2 (CDK2) To Be Published
7ZMN	Crystal structure of human RECQL5 helicase APO form in complex with engineered nanobody (Gluebody) G3-048 分子名称: ATP-dependent DNA helicase Q5, Gluebody G3-048, SULFATE ION, ... 著者 Ye, M, Makola, M, Newman, J.A, Fairhead, M, MacLean, E, Krojer, T, Aitkenhead, H, Bountra, C, Gileadi, O, von Delft, F. 登録日 2022-04-19 公開日 2022-06-22 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Gluebodies improve crystal reliability and diversity through transferable nanobody mutations that introduce constitutive crystal contacts To Be Published
7ZGS	Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor 2-phenylethan-1-amine 分子名称: 3-PHENYLPROPYLAMINE, Aspartate carbamoyltransferase, SODIUM ION, ... 著者 Wang, C, Zhang, B. 登録日 2022-04-04 公開日 2022-08-24 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.349 Å) 主引用文献 Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials. J.Am.Chem.Soc., 144, 2022
7ZOG	Crystal structure of Cryptosporidium parvum -Plasmodium falciparum mutant lysyl tRNA synthetase in complex with inhibitor 分子名称: 8-[[4-[2-[2-[2-[2-[(azanylidene-$l^{4}-azanylidene)amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]sulfonylamino]-~{N}-(cyclohexylmethyl)-6-fluoranyl-4-oxidanylidene-chromene-2-carboxamide, GLYCEROL, LYSINE, ... 著者 Dawson, A, Wyllie, S. 登録日 2022-04-25 公開日 2022-09-07 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Toolkit of Approaches To Support Target-Focused Drug Discovery for Plasmodium falciparum Lysyl tRNA Synthetase. Acs Infect Dis., 8, 2022
7SMZ	X-ray crystal structure of CYP142A3 from Mycobacterium Marinum in complex with 4-cholesten-3-one 分子名称: (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, ACETATE ION, Cytochrome P450 142A3, ... 著者 Ghith, A, Bruning, J.B, Bell, S.G. 登録日 2021-10-27 公開日 2022-09-14 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.04 Å) 主引用文献 The Structures of the Steroid Binding CYP142 Cytochrome P450 Enzymes from Mycobacterium ulcerans and Mycobacterium marinum. Acs Infect Dis., 8, 2022
7ZGN	Plant/insect N-glycan active PNGase 分子名称: Glpgli family protein 著者 Basle, A, Crouch, L, Bolam, D. 登録日 2022-04-04 公開日 2022-09-07 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Plant N -glycan breakdown by human gut Bacteroides. Proc.Natl.Acad.Sci.USA, 119, 2022
7ZP2	Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum in complex with BDA-04 分子名称: Aspartate carbamoyltransferase, SODIUM ION, SULFATE ION, ... 著者 Wang, C, Zhang, B, Groves, M.R. 登録日 2022-04-26 公開日 2022-08-24 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.292 Å) 主引用文献 Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials. J.Am.Chem.Soc., 144, 2022
7SH4	CD1a-phosphatidylglycerol binary structure 分子名称: (21R,24R,27S)-24,27,28-trihydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaoctacosan-21-yl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... 著者 Wegrecki, M, Rossjohn, J. 登録日 2021-10-07 公開日 2022-10-05 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Staphylococcal phosphatidylglycerol antigens activate human T cells via CD1a. Nat.Immunol., 24, 2023
7ZST	Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum in complex with FLA-01 分子名称: 2-azanyl-~{N}-(2-methoxyethyl)-5-phenyl-thiophene-3-carboxamide, Aspartate carbamoyltransferase, GLYCEROL, ... 著者 Wang, C, Zhang, B, Groves, M.R. 登録日 2022-05-08 公開日 2022-08-24 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials. J.Am.Chem.Soc., 144, 2022
7ZH9	Uba1 in complex with ATP 分子名称: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... 著者 Misra, M, Schindelin, H. 登録日 2022-04-05 公開日 2022-08-31 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 Structures of UBA6 explain its dual specificity for ubiquitin and FAT10. Nat Commun, 13, 2022
7SH5	Crystal structure of CYP142A3 from Mycobacterium ulcerans bound to Cholest-4-en-3-one 分子名称: (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, ACETATE ION, Cytochrome P450 142A3, ... 著者 Doherty, D.Z, Bell, S.G, Bruning, J. 登録日 2021-10-08 公開日 2022-10-05 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 The Structures of the Steroid Binding CYP142 Cytochrome P450 Enzymes from Mycobacterium ulcerans and Mycobacterium marinum. Acs Infect Dis., 8, 2022
7S3Y	Structure ofrat neuronal nitric oxide synthase heme domain in complex with 7-((3-(2-(6-aminopyridin-2-yl)ethyl)phenoxy)methyl)quinolin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2021-09-08 公開日 2022-09-14 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 Selective anti-MRSA inhibitors targeting bacterial nitric oxide synthase To be published
4Q8G	Structure of the Saccharomyces cerevisiae PAN2 pseudoubiquitin-hydrolase 分子名称: PAB-dependent poly(A)-specific ribonuclease subunit PAN2, ZINC ION 著者 Schaefer, I.B, Conti, E. 登録日 2014-04-27 公開日 2014-06-04 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 The structure of the Pan2-Pan3 core complex reveals cross-talk between deadenylase and pseudokinase. Nat.Struct.Mol.Biol., 21, 2014
7S3X	Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((3-(((pyridin-2-ylmethyl)amino)methyl)phenoxy)methyl)quinolin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{[3-({[(pyridin-2-yl)methyl]amino}methyl)phenyl]methoxy}-5,8-dihydroquinolin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2021-09-08 公開日 2022-09-14 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Selective anti-MRSA inhibitors targetting bacterial nitric oxide synthase To be published
7S3Z	Structure of rat neuronal nitric oxide synthase heme domain in complex with N2-((3-((2-aminoquinolin-7-yl)methoxy)phenoxy)methyl)pyridine-2,6-diamine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{[3-(2-{[(6-aminopyridin-2-yl)methyl]amino}ethoxy)phenoxy]methyl}quinolin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2021-09-08 公開日 2022-09-14 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.7297 Å) 主引用文献 Selective anti-MRSA inhibitors targeting bacterial nitric oxide synthase To be published
7ZK1	Crystal structure of cystinosin from Arabidopsis thaliana bound to sybody and nanobody 分子名称: Cystinosin homolog, Llama derived nanobody, Synthetic nanobody (Sybody) 著者 Loebel, M, Newstead, S, Omari, K.E. 登録日 2022-04-12 公開日 2022-08-31 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Structural basis for proton coupled cystine transport by cystinosin. Nat Commun, 13, 2022
7S40	Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((3-((((6-aminopyridin-2-yl)methyl)amino)methyl)phenoxy)methyl)quinolin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{[3-({[(6-aminopyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2021-09-08 公開日 2022-09-14 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.7969 Å) 主引用文献 Selective anti-MRSA inhitors targeting bacterial nitric oxide synthase To be published
7ZID	Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum in complex with BDA-14 分子名称: Aspartate carbamoyltransferase, GLYCEROL, SULFATE ION, ... 著者 Wang, C, Zhang, B. 登録日 2022-04-07 公開日 2022-08-31 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials. J.Am.Chem.Soc., 144, 2022
7SGI	Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Inhibitor 14 分子名称: 5-[(2-anilino-2-oxoethyl)(methyl)amino]-N-hydroxypentanamide, PHOSPHATE ION, POTASSIUM ION, ... 著者 Herbst-Gervasoni, C.J, Christianson, D.W. 登録日 2021-10-05 公開日 2022-10-05 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Aza-SAHA Derivatives Are Selective Histone Deacetylase 10 Chemical Probes That Inhibit Polyamine Deacetylation and Phenocopy HDAC10 Knockout. J.Am.Chem.Soc., 144, 2022
7SAF	Fragment of streptococcal M87 protein fused to GCN4 adaptor 分子名称: General control transcription factor GCN4/M protein chimera, PHOSPHATE ION 著者 Kolesinski, P, Ghosh, P. 登録日 2021-09-22 公開日 2022-07-13 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 An M protein coiled coil unfurls and exposes its hydrophobic core to capture LL-37 Elife, 11, 2022
7SAY	Fragment of streptococcal M87 protein fused to GCN4 adaptor in complex with human cathelicidin 分子名称: 1,2-ETHANEDIOL, Antibacterial peptide LL-37, General control transcription factor GCN4/M protein chimera 著者 Kolesinski, P, Ghosh, P. 登録日 2021-09-23 公開日 2022-07-13 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 An M protein coiled coil unfurls and exposes its hydrophobic core to capture LL-37 Elife, 11, 2022
8A8X	TRIM7 PRYSPRY in complex with a MNV1-NS3 peptide HDDFGLQ 分子名称: E3 ubiquitin-protein ligase TRIM7, MNV1-NS3 C term peptide 著者 Luptak, J. 登録日 2022-06-24 公開日 2022-07-06 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.37 Å) 主引用文献 TRIM7 Restricts Coxsackievirus and Norovirus Infection by Detecting the C-Terminal Glutamine Generated by 3C Protease Processing. Viruses, 14, 2022
8A56	Coenzyme A-persulfide reductase (CoAPR) from Enterococcus faecalis 分子名称: 1,2-ETHANEDIOL, 3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE, Coenzyme A-persulfide reductase, ... 著者 Costa, S.S, Walsh, B.J, Giedroc, D.P, Brito, J.A. 登録日 2022-06-14 公開日 2022-09-14 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Metabolic and Structural Insights into Hydrogen Sulfide Mis-Regulation in Enterococcus faecalis. Antioxidants, 11, 2022
7SMI	Crystal Structure of L-galactose dehydrogenase from Spinacia oleracea 分子名称: L-galactose dehydrogenase 著者 Santillan, J.A.V, Cabrejos, D.A.L, Pereira, H.M, Gomez, J.C.C, Garratt, R.C. 登録日 2021-10-26 公開日 2022-07-13 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Structural Characterization of L-Galactose Dehydrogenase: An Essential Enzyme for Vitamin C Biosynthesis. Plant Cell.Physiol., 63, 2022
7RVO	Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI13 分子名称: 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-3-cyclopropyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide 著者 Yang, K, Sankaran, B, Liu, W. 登録日 2021-08-19 公開日 2022-07-20 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022

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