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Crystal structure

Rosetta FlexPepDock to predict peptide-MHC binding: An approach for non-canonical amino acids

Nathaniel Bloodworth, Natália Ruggeri Barbaro, Rocco Moretti, David G. Harrison, Jens Meiler

published 13 Dec 2022

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Pterin-based small molecule inhibitor capable of binding to the secondary pocket in the active site of ricin-toxin A chain

Ryota Saito, Masaru Goto, Shun Katakura, Taro Ohba, Rena Kawata, Kazuki Nagatsu, Shoko Higashi, Kaede Kurisu, Kaori Matsumoto, Kouta Ohtsuka

published 12 Dec 2022

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Label-free affinity screening, design and synthesis of inhibitors targeting the Mycobacterium tuberculosis L-alanine dehydrogenase

Heung-Bok Kim, John-Paul Bacik, Ruilian Wu, Ramesh K. Jha, Michaeline Hebron, Catherine Triandafillou, Joseph E. McCown, Nam-In Baek, Jeong Han Kim, Young Jae Kim, Celia W. Goulding, Charlie E. M. Strauss, Jurgen G. Schmidt, Gauri S. Shetye, Sungweon Ryoo, Eun-Kyeong Jo, Young Ho Jeon, Li-Wei Hung, Thomas C. Terwilliger, Chang-Yub Kim

published 17 Nov 2022

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The in silico and in vitro analysis of donepezil derivatives for Anopheles acetylcholinesterase inhibition

Thankhoe A. Rants’o, Divan G. van Greunen, C. Johan van der Westhuizen, Darren L. Riley, Jenny-Lee Panayides, Lizette L. Koekemoer, Robyn L. van Zyl

published 09 Nov 2022

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Structure of Klebsiella pneumoniae adenosine monophosphate nucleosidase

Brian C. Richardson, Roger Shek, Wesley C. Van Voorhis, Jarrod B. French

published 20 Oct 2022

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Cryo-electron structures of the extreme thermostable enzymes Sulfur Oxygenase Reductase and Lumazine Synthase

Mohamed A. Sobhy, Lingyun Zhao, Dalaver Anjum, Ali Behzad, Masateru Takahashi, Muhammad Tehseen, Alfredo De Biasio, Rachid Sougrat, Samir Hamdan

published 03 Oct 2022

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Comparative structural insight into the unidirectional catalysis of ornithine carbamoyltransferases from Psychrobacter sp. PAMC 21119

Hackwon Do, Dieu Linh Nguyen, Chang Woo Lee, Min Ju Lee, Hoejung Oh, Jisub Hwang, Se Jong Han, Sung Gu Lee, Jun Hyuck Lee

published 23 Sep 2022

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Reverse mutants of the catalytic 19 kDa mutant protein (nanoKAZ/nanoLuc) from Oplophorus luciferase with coelenterazine as preferred substrate

Satoshi Inouye, Jun-ichi Sato, Yuiko Sahara-Miura, Yuri Tomabechi, Yuto Sumida, Shun-ichi Sekine, Mikako Shirouzu, Takamitsu Hosoya

published 21 Sep 2022

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Degradation of chondroitin sulfate A by a PUL-like operon in Tannerella forsythia

Peter Nguyen, Rony Eshaque, Barbara Anne Garland, Anthony Dang, Michael D. L. Suits

published 16 Sep 2022

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A structural basis for the functional differences between the cytosolic and plastid phosphoglucose isomerase isozymes

Juan Jiao, Fei Gao, Jie Liu, Zongyang Lv, Cuimin Liu

published 01 Sep 2022

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Characterisation of a soil MINPP phytase with remarkable long-term stability and activity from Acinetobacter sp.

Gregory D. Rix, Colleen Sprigg, Hayley Whitfield, Andrew M. Hemmings, Jonathan D. Todd, Charles A. Brearley

published 31 Aug 2022

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Enhanced photocatalytic degradation of tetracycline hydrochloride over Au-doped BiOBr nanosheets under visible light irradiation

Chu-Ya Wang, Xin Fang, Qi Zeng, Heng-Deng Zhou, Yongze Lu

published 26 Aug 2022

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Highly scalable maximum likelihood and conjugate Bayesian inference for ERGMs on graph sets with equivalent vertices

Fan Yin, Carter T. Butts

published 26 Aug 2022

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