日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

Environmental Contributions to Proton Sharing in Protein Low-Barrier Hydrogen Bonds

环境因素对蛋白质低势垒氢键中质子共享的影响

Lin, Jiusheng; Gerlits, Oksana; Kneller, Daniel W; Weiss, Kevin L; Coates, Leighton; Clarke, Jennifer L; Hix, Mark A; Effah, Solomon Y; Kovalevsky, Andrey; Walker, Alice R; Wilson, Mark A

Structural insights into RNase H catalytic mechanism from room-temperature X-ray and neutron crystallography of apo- and RNA/DNA hybrid-bound enzyme

利用室温X射线和中子晶体学方法对脱辅基酶和RNA/DNA杂交结合酶进行结构解析,揭示RNase H催化机制的结构信息

Gerlits, Oksana; Collins, Aliyah; Kovalevsky, Andrey

Characterization of an unusual SARS-CoV-2 main protease natural variant exhibiting resistance to nirmatrelvir and ensitrelvir.

对一种不寻常的 SARS-CoV-2 主蛋白酶天然变体进行表征,该变体对 nirmatrelvir 和 ensitrelvir 具有耐药性

Bhandari Dipendra, Gerlits Oksana, Keable Stephen, Coates Leighton, Aniana Annie, Ghirlando Rodolfo, Nashed Nashaat T, Kovalevsky Andrey, Louis John M

Potent HIV‑1 protease inhibitors containing oxabicyclo octanol-derived P2-ligands: Design, synthesis, and X‑ray structural studies of inhibitor-HIV-1 protease complexes

含有氧杂双环辛醇衍生的P2配体的强效HIV-1蛋白酶抑制剂:抑制剂-HIV-1蛋白酶复合物的设计、合成和X射线结构研究

Ghosh, Arun K; Yadav, Monika; Sharma, Ashish; Johnson, Megan; Ghosh, Ajay K; Prasad, Rangu; Amano, Masayuki; Gerlits, Oksana; Kovalevsky, Andrey; Mitsuya, Hiroaki

Environmental Contributions to Proton Sharing in Protein Low-Barrier Hydrogen Bonds

环境因素对蛋白质低势垒氢键中质子共享的影响

Lin, Jiusheng; Gerlits, Oksana; Kneller, Daniel W; Weiss, Kevin L; Coates, Leighton; Hix, Mark A; Effah, Solomon Y; Kovalevsky, Andrey; Walker, Alice R; Wilson, Mark A

Revealing protonation states and tracking substrate in serine hydroxymethyltransferase with room-temperature X-ray and neutron crystallography

利用室温X射线和中子晶体学揭示丝氨酸羟甲基转移酶的质子化状态并追踪底物

Drago, Victoria N; Campos, Claudia; Hooper, Mattea; Collins, Aliyah; Gerlits, Oksana; Weiss, Kevin L; Blakeley, Matthew P; Phillips, Robert S; Kovalevsky, Andrey

An N⋯H⋯N low-barrier hydrogen bond preorganizes the catalytic site of aspartate aminotransferase to facilitate the second half-reaction

N⋯H⋯N 低势垒氢键预先组织天冬氨酸氨基转移酶的催化位点,以促进第二半反应。

Drago, Victoria N; Dajnowicz, Steven; Parks, Jerry M; Blakeley, Matthew P; Keen, David A; Coquelle, Nicolas; Weiss, Kevin L; Gerlits, Oksana; Kovalevsky, Andrey; Mueser, Timothy C

Joint neutron/molecular dynamics vibrational spectroscopy reveals softening of HIV-1 protease upon binding of a tight inhibitor

中子/分子动力学联合振动光谱揭示了HIV-1蛋白酶与强效抑制剂结合后发生的软化现象

Kneller, Daniel W; Gerlits, Oksana; Daemen, Luke L; Pavlova, Anna; Gumbart, James C; Cheng, Yongqiang; Kovalevsky, Andrey

Substrate Binding Stiffens Aspartate Aminotransferase by Altering the Enzyme Picosecond Vibrational Dynamics

底物结合通过改变酶的皮秒振动动力学使天冬氨酸氨基转移酶刚性增强

Dajnowicz, Steven; Cheng, Yongqiang; Daemen, Luke L; Weiss, Kevin L; Gerlits, Oksana; Mueser, Timothy C; Kovalevsky, Andrey

Correction: Rational design, synthesis, and evaluation of uncharged, "smart" bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase

更正:合理设计、合成和评价不带电荷的“智能”双肟类解毒剂对有机磷酸酯抑制的人乙酰胆碱酯酶的疗效

Gorecki, Lukas; Gerlits, Oksana; Kong, Xiaotian; Cheng, Xiaolin; Blumenthal, Donald K; Taylor, Palmer; Ballatore, Carlo; Kovalevsky, Andrey; Radić, Zoran