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Publications
Publications
Molecular Engineering of Metal–Organic Frameworks as Efficient Electrochemical Catalysts for Water Oxidation

Advanced Materials. 2023 Mar 13;e202300945. doi: 10.1002/adma.202300945.

This study reports the use of continuous rotation electron diffraction (cRED/MicroED) to determine the crystal structure of a metal-organic framework with thiol-nickel coordination and investigates its performance as an efficient electrocatalyst for the water oxidation reaction.

ReadCrystal was responsible for the structure determination of the MOF material. Using our MicroED technology platform, we successfully solved the crystal structure of Ni(DMBD)-MOF.
Studies on the Crystal Forms of Istradefylline: Structure, Solubility, and Dissolution Profile

Crystals. 2022, 12(7), 917; https://doi.org/10.3390/cryst12070917

Istradefylline as a selective adenosine A2A-receptor antagonist is clinically used to treat Parkinson’s disease. In this paper, its crystal forms were studied.

ReadCrystal contribution: study of crystal form, such as crystal preparation and structure determination.
Actinomycetes-derived imine reductases with a preference towards bulky amine substrates

Commun Chem. 2022 Oct 8;5(1):123. doi: 10.1038/s42004-022-00743

This paper reported the imine reductase IR-G02,which is capable of accepting bulky amine substrates.

ReadCrystal contribution:Structural biology related work of IR-G02 such as structure determination.
Atomic-resolution structures from polycrystalline covalent organic frameworks with enhanced cryo-cRED

Nat Commun. 2022 Jul 11;13(1):4016. doi: 10.1038/s41467-022-31524-9.

In this paper, a method is established to determine the structure of polycrystalline 3D COF at atomic level using enhanced cryo-continuous rotation electron diffraction (cryo-cRED).

This method was proposed by the team of Prof. Junliang Sun, the founder of ReadCrystal.
Design and Synthesis of a Zeolitic Organic Framework

Angew Chem Int Ed Engl . 2022 Jun 13;61(24):e202203584. doi: 10.1002/anie.202203584.

In this paper, the first example of a 3D covalent organic framework with zeolitic network, namely the zeolitic organic framework (ZOF), ZOF-1 was reported. Its structure was determined by MicroED technique.

Structure determination of MicroED in this paper was done by the team of Prof. Junliang Sun, the founder of ReadCrystal.
Tuning an Imine Reductase for the Asymmetric Synthesis of Azacycloalkylamines by Concise Structure-Guided Engineering

Angew Chem Int Ed Engl . 2022 Jun 13;61(24):e202201908. doi: 10.1002/anie.202201908. Epub 2022 Apr 7.

In this paper, a concise strategy combining rational cavity design, combinatorial active-site saturation test (CAST), and thermostability engineering was designed to transformed the weakly active imine reductase IR-G36 into a variant M5 with superior performance.

ReadCrystal contribution: Structural biology related work of IR-G35 and M5 mutation such as protein expression and structure determination.
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