PDB: 68717 件ウェブページステータス検索Chemie searchBIRD

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7ORW	Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00265 分子名称: 1H-benzimidazol-4-amine, CHLORIDE ION, DIMETHYL SULFOXIDE, ... 著者 Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z. 登録日 2021-06-06 公開日 2021-10-20 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16. Rsc Chem Biol, 3, 2022
7ORU	Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00221 分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z. 登録日 2021-06-06 公開日 2021-10-20 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16. Rsc Chem Biol, 3, 2022
7ORV	Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00239 分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z. 登録日 2021-06-06 公開日 2021-10-20 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16. Rsc Chem Biol, 3, 2022
7ORR	Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00022 分子名称: 4-PHENYL-1H-IMIDAZOLE, CHLORIDE ION, DIMETHYL SULFOXIDE, ... 著者 Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z. 登録日 2021-06-06 公開日 2021-10-20 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16. Rsc Chem Biol, 3, 2022
7OC8	Trichoderma reesei Cel7A E212Q mutant in complex with pNPL 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, Exoglucanase 1, ... 著者 Haataja, T, Sandgren, M, Stahlberg, J. 登録日 2021-04-26 公開日 2022-03-09 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Enzyme kinetics by GH7 cellobiohydrolases on chromogenic substrates is dictated by non-productive binding: insights from crystal structures and MD simulation. Febs J., 290, 2023
7OOM	N-terminal domain of FlSp spidroin from Nephila clavipes 分子名称: Flagelliform spidroin variant 1 著者 Tars, K, Metlans, R, Fridmanis, J, Jaudzems, K. 登録日 2021-05-28 公開日 2022-06-08 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 The dimerization mechanism of the N-terminal domain of spider silk proteins is conserved despite extensive sequence divergence. J.Biol.Chem., 298, 2022
7OS7	Circular permutant of ribosomal protein S6, swap helix 2, L75A, A92K mutant 分子名称: 30S ribosomal protein S6,30S ribosomal protein S6 著者 Wang, H, Logan, D.T, Oliveberg, M. 登録日 2021-06-08 公開日 2022-06-22 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Circular permutant of ribosomal protein S6, swap helix 2, L75A, A92K mutant To Be Published
7KEH	Crystal structure from SARS-CoV-2 NendoU NSP15 分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, Uridylate-specific endoribonuclease 著者 Godoy, A.S, Nakamura, A.M, Pereira, H.M, Noske, G.D, Gawriljuk, V.O, Fernandes, R.S, Oliveira, K.I.Z, Oliva, G. 登録日 2020-10-10 公開日 2020-12-02 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.59 Å) 主引用文献 Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease. Nucleic Acids Res., 2023
9GN3	The 3D structure of MsrR from Streptococcus pneumoniae 分子名称: Regulatory protein MsrR 著者 Moche, M, Sala, B.M, Sandalova, T, Achour, A. 登録日 2024-08-30 公開日 2025-02-26 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 The 3D structure of MsrR from Streptococcus pneumoniae To be published
9GTG	RIPK1 in complex with AZ"902 分子名称: (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione, Receptor-interacting serine/threonine-protein kinase 1, ~{N}-[[(3~{S})-1-ethanoylpyrrolidin-3-yl]methyl]-~{N}-methyl-4-quinolin-7-yl-benzenesulfonamide 著者 Petersen, J. 登録日 2024-09-17 公開日 2025-07-02 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Discovery and Validation of a Novel Class of Necroptosis Inhibitors Targeting RIPK1. Acs Chem.Biol., 2025
9GGI	Crystal structure of argininosuccinate lyase from Arabidopsis thaliana (AtASL) 分子名称: Argininosuccinate lyase, chloroplastic, CHLORIDE ION, ... 著者 Nielipinski, M, Pietrzyk-Brzezinska, A.J, Krzeszewska, D, Sekula, B. 登録日 2024-08-13 公開日 2024-10-23 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Arabidopsis thaliana argininosuccinate lyase structure uncovers the role of serine as the catalytic base. J.Struct.Biol., 216, 2024
9HLF	Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH14445 分子名称: N-glycosylase/DNA lyase, NICKEL (II) ION, PHOSPHATE ION, ... 著者 Scaletti Hutchinson, E, Stenmark, P. 登録日 2024-12-04 公開日 2025-05-21 最終更新日 2025-06-25 実験手法 X-RAY DIFFRACTION (2.64 Å) 主引用文献 Organocatalytic Switches of DNA Glycosylase OGG1 Catalyze a Highly Efficient AP-Lyase Function. Chemistry, 31, 2025
2MYW	Solution structure of M. oryzae protein AVR-PIA 分子名称: AVR-Pia protein 著者 de Guillen, K, Kroj, T. 登録日 2015-01-30 公開日 2015-10-14 最終更新日 2024-11-06 実験手法 SOLUTION NMR 主引用文献 Structure Analysis Uncovers a Highly Diverse but Structurally Conserved Effector Family in Phytopathogenic Fungi. Plos Pathog., 11, 2015
2MYV	Solution structure of M. oryzae protein AVR1-CO39 分子名称: Uncharacterized protein 著者 de Guillen, K, Kroj, T. 登録日 2015-01-30 公開日 2015-10-14 最終更新日 2024-11-06 実験手法 SOLUTION NMR 主引用文献 Structure Analysis Uncovers a Highly Diverse but Structurally Conserved Effector Family in Phytopathogenic Fungi. Plos Pathog., 11, 2015
6VFD	Tryptophan synthase mutant Q114A in complex with cesium ion at the metal coordination site and 2-aminophenol quinonoid at the enzyme beta site 分子名称: (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid, 1,2-ETHANEDIOL, CESIUM ION, ... 著者 Hilario, E, Fan, L, Dunn, M.F, Mueller, L.J. 登録日 2020-01-03 公開日 2020-08-05 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Tryptophan synthase mutant Q114A in complex with cesium ion at the metal coordination site and 2-aminophenol quinonoid at the enzyme beta site. To be Published
6F2P	Structure of Paenibacillus xanthan lyase to 2.6 A resolution 分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... 著者 Lo Leggio, L, Kadziola, A. 登録日 2017-11-27 公開日 2018-12-05 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structure and Dynamics of a Promiscuous Xanthan Lyase from Paenibacillus nanensis and the Design of Variants with Increased Stability and Activity. Cell Chem Biol, 26, 2019
6EYM	Neutron crystal structure of perdeuterated galectin-3C in complex with lactose 分子名称: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose 著者 Manzoni, F, Coates, L, Blakeley, M.P, Oksanen, E, Logan, D.T. 登録日 2017-11-13 公開日 2018-09-12 最終更新日 2024-05-01 実験手法 NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION 主引用文献 Elucidation of Hydrogen Bonding Patterns in Ligand-Free, Lactose- and Glycerol-Bound Galectin-3C by Neutron Crystallography to Guide Drug Design. J. Med. Chem., 61, 2018
6F6Y	Crystal structure of galectin-3 CRD in complex with galactopentaose 分子名称: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-galactopyranose 著者 Hakansson, M, Andersen, M.C.F, Clausen, M.H, Logan, D.T. 登録日 2017-12-06 公開日 2018-12-19 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.41 Å) 主引用文献 Beta-(1-4)-d-galactans: synthesis and binding interactions with galectin-3 To Be Published
2I5D	Crystal Structure of Human Inosine Triphosphate Pyrophosphatase 分子名称: inosine triphosphate pyrophosphohydrolase 著者 Porta, J.C, Kozmin, S.G, Pavlov, Y.I, Borgstahl, G.E.O. 登録日 2006-08-24 公開日 2006-09-05 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 Structure of the orthorhombic form of human inosine triphosphate pyrophosphatase. Acta Crystallogr.,Sect.F, 62, 2006
3S3I	p38 kinase crystal structure in complex with small molecule inhibitor 分子名称: 3-(3-tert-butyl[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide, Mitogen-activated protein kinase 14 著者 Segarra, V, Aiguade, J, Roca, R, Fisher, M, Lamers, M. 登録日 2011-05-18 公開日 2012-04-04 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Novel triazolopyridylbenzamides as potent and selective p38 alpha inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
6F28	Crystal structure of the kainate receptor GluK3 ligand binding domain in complex with (S)-1-[2'-Amino-2'-carboxyethyl]-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2,4(1H,3H)-dione at resolution 2.4A 分子名称: (2~{S})-2-azanyl-3-[6-methyl-2,4-bis(oxidanylidene)-5,7-dihydropyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid, CHLORIDE ION, Glutamate receptor ionotropic, ... 著者 Venskutonyte, R, Frydenvang, K, Kastrup, J.S. 登録日 2017-11-23 公開日 2018-02-28 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 ( S)-2-Amino-3-(5-methyl-3-hydroxyisoxazol-4-yl)propanoic Acid (AMPA) and Kainate Receptor Ligands: Further Exploration of Bioisosteric Replacements and Structural and Biological Investigation. J. Med. Chem., 61, 2018
6FJJ	Joint neutron and x-ray crystal structure of human carbonic anhydrase IX mimic (saccharin). 分子名称: 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, Carbonic anhydrase 2, ZINC ION 著者 Fisher, S.Z. 登録日 2018-01-22 公開日 2019-02-06 最終更新日 2024-05-01 実験手法 NEUTRON DIFFRACTION (1.5 Å), X-RAY DIFFRACTION 主引用文献 Using neutron crystallography to elucidate the basis of selective inhibition of carbonic anhydrase by saccharin and a derivative. J. Struct. Biol., 205, 2019
6FSD	Mus musculus acetylcholinesterase in complex with 2-(4-Biphenylyloxy)-N-[3-(1-piperidinyl)propyl]-acetamide hydrochloride (10) 分子名称: 2-(2-METHOXYETHOXY)ETHANOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-(4-phenylphenoxy)-~{N}-(3-piperidin-1-ylpropyl)ethanamide, ... 著者 Knutsson, S, Engdahl, C, Kumari, R, Kindahl, T, Forsgren, N, Lindgren, C, Kitur, S, Kamau, L, Ekstrom, F, Linusson, A. 登録日 2018-02-19 公開日 2018-10-31 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Noncovalent Inhibitors of Mosquito Acetylcholinesterase 1 with Resistance-Breaking Potency. J.Med.Chem., 61, 2018
6GCE	DNA binding domain of restriction endonuclease McrBC in complex with 5-formylcytosine DNA 分子名称: 5-methylcytosine-specific restriction enzyme B, DNA (5'-D(*GP*AP*GP*AP*CP*CP*GP*GP*TP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*AP*(5FC)P*CP*GP*GP*TP*CP*TP*C)-3') 著者 Sasnauskas, G. 登録日 2018-04-17 公開日 2018-09-19 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Recognition of modified cytosine variants by the DNA-binding domain of methyl-directed endonuclease McrBC. FEBS Lett., 592, 2018
6GHO	Crystal structure of Spx in complex with YjbH 分子名称: CHLORIDE ION, Regulatory protein Spx, UPF0413 protein GK0824 著者 Awad, W, Logan, D.T, von Wachenfeldt, C. 登録日 2018-05-08 公開日 2019-04-24 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Structural Basis for YjbH Adaptor-Mediated Recognition of Transcription Factor Spx. Structure, 27, 2019

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