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7QZP
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Identification and characterization of an RRM-containing, ELAV-like, RNA binding protein in Acinetobacter Baumannii
分子名称: Hypothetical RNA binding protein from Acinetobacter baumannii
著者Ciani, C, Perez-Rafols, A, Bonomo, I, Micaelli, M, Esposito, A, Zucal, C, Belli, R, D'Agostino, V.G, Bianconi, I, Calderone, V, Cerofolini, L, Fragai, M, Provenzani, A.
登録日2022-01-31
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Identification and Characterization of an RRM-Containing, RNA Binding Protein in Acinetobacter baumannii .
Biomolecules, 12, 2022
4YN6
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Structural Insight reveals dynamics in repeating r(CAG) transcript found in Huntington's disease (HD) and Spinocerebellar ataxias (SCAs)
分子名称: PHOSPHATE ION, RNA (5'-R(P*UP*UP*GP*GP*GP*CP*CP*AP*GP*CP*AP*GP*CP*AP*GP*GP*UP*CP*C)-3')
著者Tawani, A, Kumar, A.
登録日2015-03-09
公開日2015-04-22
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Structural Insights Reveal the Dynamics of the Repeating r(CAG) Transcript Found in Huntington's Disease (HD) and Spinocerebellar Ataxias (SCAs)
Plos One, 10, 2015
1AGX
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REFINED CRYSTAL STRUCTURE OF ACINETOBACTER GLUTAMINASIFICANS GLUTAMINASE-ASPARAGINASE
分子名称: GLUTAMINASE-ASPARAGINASE
著者Lubkowski, J, Wlodawer, A, Housset, D, Weber, I.T, Ammon, H.L, Murphy, K.C, Swain, A.L.
登録日1994-07-13
公開日1994-12-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Refined crystal structure of Acinetobacter glutaminasificans glutaminase-asparaginase.
Acta Crystallogr.,Sect.D, 50, 1994
7ODF
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Structure of the mini-RNA-guided endonuclease CRISPR-Cas_phi3
分子名称: Cas_phi3, DNA (5'-D(P*GP*G)-3'), DNA (5'-D(P*GP*TP*AP*AP*TP*TP*CP*AP*G)-3'), ...
著者Carabias del Rey, A, Fugilsang, A, Temperini, P, Pape, T, Sofos, N, Stella, S, Erledsson, S, Montoya, G.
登録日2021-04-29
公開日2021-07-21
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (2.66 Å)
主引用文献Structure of the mini-RNA-guided endonuclease CRISPR-Cas12j3.
Nat Commun, 12, 2021
6HZV
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HUMAN JAK3 IN COMPLEX WITH LASW959 PROTEIN IN COMPLEX WITH LIGAND
分子名称: 3-[7-(2-hydroxyethyl)-9-(oxan-4-yl)-8-oxidanylidene-purin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile, Tyrosine-protein kinase JAK3
著者Lozoya, E, Segarra, V, Bach, J, Jestel, A, Lammens, A, Blaesse, M.
登録日2018-10-24
公開日2019-10-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Identification of 2-Imidazopyridine and 2-Aminopyridone Purinones as Potent Pan-Janus Kinase (JAK) Inhibitors for the Inhaled Treatment of Respiratory Diseases.
J.Med.Chem., 62, 2019
5AAN
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Crystal structure of Drosophila NCS-1 bound to penothiazine FD44
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, CALCIUM ION, CG5907-PA, ...
著者Chaves-Sanjuan, A, Infantes, L, Sanchez-Barrena, M.J.
登録日2015-07-27
公開日2017-01-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Interference of the complex between NCS-1 and Ric8a with phenothiazines regulates synaptic function and is an approach for fragile X syndrome.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
8QW7
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Crystal Structure of compound 4 in complex with KRAS G12V C118S GDP and pVHL:ElonginC:ElonginB
分子名称: (2S,4R)-1-[(2R)-2-[3-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Zollman, D, Farnaby, W, Ciulli, A.
登録日2023-10-18
公開日2023-12-06
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Targeting cancer with small molecule pan-KRAS degraders
Biorxiv, 2023
8QVU
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Crystal Structure of ligand ACBI3 in complex with KRAS G12D C118S GDP and pVHL:ElonginC:ElonginB complex
分子名称: (2S,4R)-1-[(2S)-2-[4-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2,3-triazol-1-yl]-3-methyl-butanoyl]-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-oxidanyl-ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Wijaya, A.J, Zollman, D, Farnaby, W, Ciulli, A.
登録日2023-10-18
公開日2023-12-06
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Targeting cancer with small molecule pan-KRAS degraders
Biorxiv, 2023
8QW6
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Crystal Structure of compound 3 in complex with KRAS G12V C118S GDP and pVHL:ElonginC:ElonginB
分子名称: (2S,4R)-1-[(2S)-2-[6-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]hexanoylamino]-3,3-dimethyl-butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Zollman, D, Farnaby, W, Ciulli, A.
登録日2023-10-18
公開日2023-12-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Targeting cancer with small molecule pan-KRAS degraders
Biorxiv, 2023
6W32
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Crystal structure of Sfh5
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Phosphatidylinositol transfer protein SFH5
著者Gulten, G, Khan, D, Aggarwal, A, Krieger, I, Sacchettini, J.C, Bankaitis, V.A.
登録日2020-03-08
公開日2020-11-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A Sec14-like phosphatidylinositol transfer protein paralog defines a novel class of heme-binding proteins.
Elife, 9, 2020
4YTN
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Crystal structure of Mitochondrial rhodoquinol-fumarate reductase from Ascaris suum with N-[3-(pentafluorophenoxy)phenyl]-2-(trifluoromethyl)benzamide
分子名称: Cytochrome b-large subunit, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ...
著者Harada, S, Shiba, T, Sato, D, Yamamoto, A, Nagahama, M, Yone, A, Inaoka, D.K, Sakamoto, K, Inoue, M, Honma, T, Kita, K.
登録日2015-03-18
公開日2015-08-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献New Insights into the Design of Inhibitors Targeted for Parasitic Anaerobic Energy Metabolism
To Be Published
3ZKX
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BU of 3zkx by Molmil
TERNARY BACE2 XAPERONE COMPLEX
分子名称: BETA-SECRETASE 2, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Kuglstatter, A, Banner, D.W, Benz, J, Bertschinger, J, Burger, D, Cuppuleri, S, Debulpaep, M, Gast, A, Grabulovski, D, Gsell, B, Hilpert, H, Huber, W, Kusznir, E, Laeremans, T, Matile, H, Rufer, A, Schlatter, D, Steyeart, J, Stihle, M, Thoma, R, Weber, M, Ruf, A.
登録日2013-01-25
公開日2013-05-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
7QKN
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Crystal structure of YTHDF1 YTH domain in complex with the ebsulfur derivative compound 7
分子名称: 1,2-ETHANEDIOL, THIOCYANATE ION, YTH domain-containing family protein 1, ...
著者Dalle Vedove, A, Cazzanelli, G, Quattrone, A, Provenzani, A, Lolli, G.
登録日2021-12-18
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Small-Molecule Ebselen Binds to YTHDF Proteins Interfering with the Recognition of N 6 -Methyladenosine-Modified RNAs.
Acs Pharmacol Transl Sci, 5, 2022
5Z3C
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BU of 5z3c by Molmil
Glycosidase E178A
分子名称: GLYCEROL, Glycoside hydrolase 15-related protein
著者Tanaka, Y, Chen, M, Tagami, T, Yao, M, Kimura, A.
登録日2018-01-05
公開日2019-05-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural insights reveal the second base catalyst of isomaltose glucohydrolase.
Febs J., 289, 2022
5MI8
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Structure of the phosphomimetic mutant of EF-Tu T383E
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, BETA-MERCAPTOETHANOL, ...
著者Talavera, A, Hendrix, J, Versees, W, De Gieter, S, Castro-Roa, D, Jurenas, D, Van Nerom, K, Vandenberk, N, Barth, A, De Greve, H, Hofkens, J, Zenkin, N, Loris, R, Garcia-Pino, A.
登録日2016-11-27
公開日2017-12-20
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Phosphorylation decelerates conformational dynamics in bacterial translation elongation factors.
Sci Adv, 4, 2018
5Z3D
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Glycosidase F290Y
分子名称: CITRIC ACID, GLYCEROL, Glycoside hydrolase 15-related protein
著者Tanaka, Y, Chen, M, Tagami, T, Yao, M, Kimura, A.
登録日2018-01-05
公開日2019-05-15
最終更新日2022-02-23
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structural insights reveal the second base catalyst of isomaltose glucohydrolase.
Febs J., 289, 2022
7NXI
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PAF-D19S in 50 v/v % DMSO-water solution
分子名称: Pc24g00380 protein
著者Czajlik, A, Batta, G.
登録日2021-03-18
公開日2022-03-30
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献DMSO-Induced Unfolding of the Antifungal Disulfide Protein PAF and Its Inactive Variant: A Combined NMR and DSC Study.
Int J Mol Sci, 24, 2023
6Y0N
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Arginine hydroxylase VioC in complex with Arg, 2OG and Fe under anaerobic environment using FT-SSX methods
分子名称: 2-OXOGLUTARIC ACID, ARGININE, Alpha-ketoglutarate-dependent L-arginine hydroxylase, ...
著者Rabe, P, Beale, J.H, Lang, P.A, Dirr, S.A, Leissing, T.M, Butryn, A, Aller, P, Kamps, J.J.A.G, Axford, D, McDonough, M.A, Orville, A.M, Owen, R, Schofield, C.J.
登録日2020-02-10
公開日2020-09-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Anaerobic fixed-target serial crystallography.
Iucrj, 7, 2020
4QAJ
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Crystal structure of Peptidyl-tRNA hydrolase from Pseudomonas aeruginosa at 1.5 Angstrom resolution
分子名称: Peptidyl-tRNA hydrolase
著者Singh, A, Kumar, A, Gautam, L, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Arora, A, Singh, T.P.
登録日2014-05-05
公開日2014-05-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and binding studies of peptidyl-tRNA hydrolase from Pseudomonas aeruginosa provide a platform for the structure-based inhibitor design against peptidyl-tRNA hydrolase
Biochem.J., 463, 2014
5E2P
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide
分子名称: 1,2-ETHANEDIOL, Coagulation factor XIa light chain, N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide, ...
著者Wei, A.
登録日2015-10-01
公開日2015-12-09
最終更新日2016-01-20
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Novel phenylalanine derived diamides as Factor XIa inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
5MON
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Joint X-ray/neutron structure of cationic trypsin in complex with 2-aminopyridine
分子名称: 2-AMINOPYRIDINE, CALCIUM ION, Cationic trypsin, ...
著者Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G.
登録日2016-12-14
公開日2017-05-24
最終更新日2024-05-01
実験手法NEUTRON DIFFRACTION (0.939 Å), X-RAY DIFFRACTION
主引用文献Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin.
Angew. Chem. Int. Ed. Engl., 56, 2017
6W3K
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Structure of unphosphorylated human IRE1 bound to G-9807
分子名称: 4-[5-[2,6-bis(fluoranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-oxidanylpiperidin-1-yl)-1~{H}-pyrimidin-6-one, Serine/threonine-protein kinase/endoribonuclease IRE1
著者Lammens, A, Wang, W, Ferri, E, Rudolph, J.
登録日2020-03-09
公開日2020-12-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands.
Nat Commun, 11, 2020
6Y7R
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BU of 6y7r by Molmil
Structure of Chloroflexus aggregans Cagg_3753 LOV domain C85A A56P variant (CagFbFP)
分子名称: FLAVIN MONONUCLEOTIDE, Multi-sensor hybrid histidine kinase
著者Remeeva, A, Nazarenko, V, Kovalev, K, Gordeliy, V, Gushchin, I.
登録日2020-03-02
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Effects of Proline Substitutions on the Thermostable LOV Domain from Chloroflexus aggregans
Crystals, 2020
5M6Z
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BU of 5m6z by Molmil
The X-ray structure of human M189I PGK-1 mutant in partially closed conformation
分子名称: 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Ilari, A, Fiorillo, A, Petrosino, M, Cipollone, A.
登録日2016-10-26
公開日2017-11-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献The phosphoglycerate kinase 1 variants found in carcinoma cells display different catalytic activity and conformational stability compared to the native enzyme.
PLoS ONE, 13, 2018
7BFY
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Structure of the apo form of the N terminal domain of Bc2L-C lectin (1-131)
分子名称: Lectin
著者Lal, K, Bermeo, R, Imberty, A, Varrot, A.
登録日2021-01-05
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Prediction and Validation of a Druggable Site on Virulence Factor of Drug Resistant Burkholderia cenocepacia*.
Chemistry, 27, 2021

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