8HZR
 
 | | Crystal structure of SARS-Cov-2 main protease S46F mutant in complex with PF07321332 | | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | 著者 | Zeng, X.Y, Zhang, J, Li, J. | | 登録日 | 2023-01-09 | | 公開日 | 2024-01-17 | | 最終更新日 | 2025-07-09 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Evaluation of the Inhibition Potency of Nirmatrelvir against Main Protease Mutants of SARS-CoV-2 Variants.
Biochemistry, 62, 2023
|
|
8HVX
 | |
8HVV
 | |
4LOB
 | | Crystal structure of polyprenyl diphosphate synthase A1S_2732 (Target EFI-509223) from Acinetobacter baumannii | | 分子名称: | CHLORIDE ION, GLYCEROL, Polyprenyl synthetase | | 著者 | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Poulter, C.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | 登録日 | 2013-07-12 | | 公開日 | 2013-07-24 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of polyprenyl diphosphate synthase from Acinetobacter baumannii
To be Published
|
|
8HVW
 | |
7RSJ
 | | Structure of the VPS34 kinase domain with compound 14 | | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, N-{4-[(7R,8R)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide, ... | | 著者 | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | | 登録日 | 2021-08-11 | | 公開日 | 2021-11-24 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.881 Å) | | 主引用文献 | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
|
|
7RSP
 | | Structure of the VPS34 kinase domain with compound 14 | | 分子名称: | (7R,8R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3 | | 著者 | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | | 登録日 | 2021-08-11 | | 公開日 | 2021-11-24 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
|
|
8HVZ
 | |
7RSV
 | | Structure of the VPS34 kinase domain with compound 5 | | 分子名称: | (5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3, ... | | 著者 | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | | 登録日 | 2021-08-11 | | 公開日 | 2021-11-24 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
|
|
6Z9J
 | |
5JWQ
 | | Crystal structure of KaiC S431E in complex with foldswitch-stabilized KaiB from Thermosynechococcus elongatus | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Circadian clock protein KaiB, Circadian clock protein kinase KaiC | | 著者 | Tseng, R, Goularte, N.F, Chavan, A, Luu, J, Chang, Y, Heilser, J, Tripathi, S, LiWang, A, Partch, C.L. | | 登録日 | 2016-05-12 | | 公開日 | 2017-03-29 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (3.871 Å) | | 主引用文献 | Structural basis of the day-night transition in a bacterial circadian clock.
Science, 355, 2017
|
|
6Z9H
 | | Escherichia coli D-2-deoxyribose-5-phosphate aldolase - C47V/G204A/S239D mutant | | 分子名称: | 1,2-ETHANEDIOL, Deoxyribose-phosphate aldolase, FORMIC ACID, ... | | 著者 | Paakkonen, J, Hakulinen, N, Rouvinen, J. | | 登録日 | 2020-06-04 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Substrate specificity of 2-deoxy-D-ribose 5-phosphate aldolase (DERA) assessed by different protein engineering and machine learning methods.
Appl.Microbiol.Biotechnol., 104, 2020
|
|
6TFZ
 | | Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 19 | | 分子名称: | 1,2-ETHANEDIOL, Epidermal growth factor receptor, SULFATE ION, ... | | 著者 | Niggenaber, J, Mueller, M.P, Rauh, D. | | 登録日 | 2019-11-14 | | 公開日 | 2020-09-30 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach.
J.Med.Chem., 63, 2020
|
|
5KF4
 | |
6T3O
 | |
3JBN
 | | Cryo-electron microscopy reconstruction of the Plasmodium falciparum 80S ribosome bound to P-tRNA | | 分子名称: | 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein eS1, ... | | 著者 | Sun, M, Li, W, Blomqvist, K, Das, S, Hashem, Y, Dvorin, J.D, Frank, J. | | 登録日 | 2015-09-16 | | 公開日 | 2015-10-14 | | 最終更新日 | 2024-02-21 | | 実験手法 | ELECTRON MICROSCOPY (4.7 Å) | | 主引用文献 | Dynamical features of the Plasmodium falciparum ribosome during translation.
Nucleic Acids Res., 43, 2015
|
|
4V00
 | | Structural and functional characterization of a novel monotreme- specific protein from the milk of the platypus | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, MONOTREME LACTATING PROTEIN | | 著者 | Enjapoori, A.K, Newman, J, Polekina, G, Adams, T.E, Sharp, J.A, Peat, T.S, Nicholas, K.R. | | 登録日 | 2014-09-10 | | 公開日 | 2015-09-30 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Structural characterization of a novel monotreme-specific protein with antimicrobial activity from the milk of the platypus.
Acta Crystallogr F Struct Biol Commun, 74, 2018
|
|
4TWE
 | | Structure of ligand-free N-acetylated-alpha-linked-acidic-dipeptidase like protein (NAALADaseL) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Tykvart, J, Barinka, C, Lubkowski, J, Sacha, P, Konvalinka, J. | | 登録日 | 2014-06-30 | | 公開日 | 2015-03-18 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structural and biochemical characterization of a novel aminopeptidase from human intestine.
J.Biol.Chem., 290, 2015
|
|
2IAX
 | | Crystal structure of squid ganglion DFPase D232S mutant | | 分子名称: | CALCIUM ION, Diisopropylfluorophosphatase | | 著者 | Katsemi, V, Luecke, C, Koepke, J, Loehr, F, Maurer, S, Fritzsch, G, Rueterjans, H. | | 登録日 | 2006-09-08 | | 公開日 | 2006-09-26 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Mutational and structural studies of the diisopropylfluorophosphatase from Loligo vulgaris shed new light on the catalytic mechanism of the enzyme
Biochemistry, 44, 2005
|
|
2V3L
 | | Orientational and dynamical heterogeneity of Rhodamine 6G terminally attached to a DNA helix | | 分子名称: | 5'-D(*CP*AP*AP*AP*GP*CP*GP*CP*CP*AP *TP*TP*CP*GP*CP*CP*AP*TP*TP*C)-3', 5'-D(*GP*AP*AP*TP*GP*GP*CP*GP*AP*AP *TP*GP*GP*CP*GP*CP*TP*TP*TP*G)-3', RHODAMINE 6G | | 著者 | Neubauer, H, Gaiko, N, Berger, S, Schaffer, J, Eggeling, C, Tuma, J, Verdier, L, Seidel, C.A.M, Griesinger, C, Volkmer, A. | | 登録日 | 2007-06-18 | | 公開日 | 2007-10-09 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Orientational and Dynamical Heterogeneity of Rhodamine 6G Terminally Attached to a DNA Helix Revealed by NMR and Single-Molecule Fluorescence Spectroscopy.
J.Am.Chem.Soc., 129, 2007
|
|
2IAP
 | | Crystal structure of squid ganglion DFPase E21Q mutant | | 分子名称: | CALCIUM ION, Diisopropylfluorophosphatase | | 著者 | Scharff, E.I, Koepke, J, Fritzsch, G, Luecke, C, Rueterjans, H. | | 登録日 | 2006-09-08 | | 公開日 | 2006-09-26 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structure of diisopropylfluorophosphatase from Loligo vulgaris
Structure, 9, 2001
|
|
2IAU
 | | Crystal structure of squid ganglion DFPase W244Y mutant | | 分子名称: | CALCIUM ION, Diisopropylfluorophosphatase | | 著者 | Scharff, E.I, Koepke, J, Fritzsch, G, Luecke, C, Rueterjans, H. | | 登録日 | 2006-09-08 | | 公開日 | 2006-09-26 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of diisopropylfluorophosphatase from Loligo vulgaris
Structure, 9, 2001
|
|
5DDB
 | | Menin in complex with MI-319 | | 分子名称: | 4-{4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | 著者 | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | | 登録日 | 2015-08-24 | | 公開日 | 2015-09-09 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes.
J.Med.Chem., 58, 2015
|
|
4CY1
 | | Crystal structure of the KANSL1-WDR5 complex. | | 分子名称: | GLYCEROL, KAT8 REGULATORY NSL COMPLEX SUBUNIT 1, WD REPEAT-CONTAINING PROTEIN 5 | | 著者 | Dias, J, Brettschneider, J, Cusack, S, Kadlec, J. | | 登録日 | 2014-04-09 | | 公開日 | 2014-05-14 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structural Analysis of the Kansl1/Wdr5/Kansl2 Complex Reveals that Wdr5 is Required for Efficient Assembly and Chromatin Targeting of the Nsl Complex.
Genes Dev., 28, 2014
|
|
4USG
 | | Crystal structure of PC4 W89Y mutant complex with DNA | | 分子名称: | 5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP *TP*TP*TP*TP*TP*G)-3', ACTIVATED RNA POLYMERASE II TRANSCRIPTIONAL COACTIVATOR P15 | | 著者 | Zhao, Y, Liu, J. | | 登録日 | 2014-07-08 | | 公開日 | 2015-03-18 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.973 Å) | | 主引用文献 | Substitution of Tryptophan 89 with Tyrosine Switches the DNA Binding Mode of Pc4.
Sci.Rep., 5, 2015
|
|
