Evidence map›Paper›PMID 36610039›Full record

ArticleAngewandte Chemie (International ed. in English)2023

Molecular Dynamics Simulations Guide Chimeragenesis and Engineered Control of Chemoselectivity in Diketopiperazine Dimerases.

Vikram V Shende, Natalia R Harris, Jacob N Sanders, Sean A Newmister, Yogan Khatri, Mohammad Movassaghi, Kendall N Houk, David H Sherman

Abstract read
In one paragraph

Article in Angewandte Chemie (International ed. in English), 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.

0numbers the graph read from it
0cells of the map it votes in
13citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

13 citing papers in PubMed.

  1. Review
  2. Article
  3. Article
  4. Article
  5. Article
  6. Review
  7. A nucleobase-driven P450 peroxidase system enables regio- and stereo-specific formation of C─C and C─N bonds.Proceedings of the National Academy of Sciences of the United States of America · 2024
    Article
  8. Article
  9. Article
  10. Article
  11. Article
  12. Article
  13. Total synthesis of complex 2,5-diketopiperazine alkaloids.The Alkaloids. Chemistry and biology · 2023
    Review
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

8 authors.

Vikram V ShendeLife Sciences Institute, University of Michigan, Ann Arbor, MÌ 48109, USA.ORCID 0000-0001-8396-6297
Natalia R HarrisLife Sciences Institute, University of Michigan, Ann Arbor, MÌ 48109, USA.ORCID 0000-0001-7583-7065
Jacob N SandersDepartment of Chemistry and Biochemistry, University of California Los Angeles, Los Angeles, CA, USA.ORCID 0000-0002-2196-4234
Sean A NewmisterLife Sciences Institute, University of Michigan, Ann Arbor, MÌ 48109, USA.ORCID 0000-0002-9623-7779
Yogan KhatriLife Sciences Institute, University of Michigan, Ann Arbor, MÌ 48109, USA.ORCID 0000-0002-2432-7679
Mohammad MovassaghiDepartment of Chemistry, Massachusetts Institute of Technology, Cambridge, MA 02139, USA.ORCID 0000-0003-3559-5692
Kendall N HoukDepartment of Chemistry and Biochemistry, University of California Los Angeles, Los Angeles, CA, USA.ORCID 0000-0002-8387-5261
David H ShermanLife Sciences Institute, University of Michigan, Ann Arbor, MÌ 48109, USA.ORCID 0000-0001-8334-3647

Funding

Development of New Strategies for Chemical Synthesis and Study of Complex Natural ProductsR35GM141963 · NIGMS · MASSACHUSETTS INSTITUTE OF TECHNOLOGY · PI Mohammad Movassaghi · 2021 to 2026
$4.3M
Discovery and Characterization of Natural Product Systems-Research Supplement to Promote DiversityR35GM118101 · NIGMS · UNIVERSITY OF MICHIGAN AT ANN ARBOR · PI SHERMAN, DAVID H · 2016 to 2025
$3.3M
Breakthrough Molecular Dynamics Research via an Anton2 SupercomputerR01GM116961 · NIGMS · CARNEGIE-MELLON UNIVERSITY · PI BLOOD, PHILIP D. · 2016 to 2023
$3.0M
Steroselectivity of Synthetically Valuable Enzyme CatalystsR01GM124480 · NIGMS · UNIVERSITY OF CALIFORNIA LOS ANGELES · PI HOUK, KENDALL N · 2018 to 2021
$1.1M
Development of New Methods for Computational Enzyme DesignF32GM122218 · NIGMS · UNIVERSITY OF CALIFORNIA LOS ANGELES · PI SANDERS, JACOB NATHAN · 2017 to 2019
$176k
NIGMS NIH HHS F32 GM122218NIGMS NIH HHS GM116961NIGMS NIH HHS GM122218NIGMS NIH HHS GM124480NIGMS NIH HHS GM141963NIGMS NIH HHS R01 GM116961NIGMS NIH HHS R01 GM124480NIGMS NIH HHS R35 GM118101NIGMS NIH HHS R35 GM141963
6 · The paper itself

Abstract

In the biosynthesis of the tryptophan-linked dimeric diketopiperazines (DKPs), cytochromes P450 selectively couple DKP monomers to generate a variety of intricate and isomeric frameworks. To determine the molecular basis for selectivity of these biocatalysts we obtained a high-resolution crystal structure of selective Csp

Indexed as

DiketopiperazinesMolecular Dynamics SimulationCytochrome P-450 Enzyme SystemIsomerismMolecular ConformationCytochrome P-450 Enzyme SystemDiketopiperazinesBiosynthesisDiketopiperazineEnzyme MechanismsMolecular DynamicsNatural Products

Identifiers

PMID36610039
PMCPMC10159983

What OpenQuestion holds

Textmetadata
LicenceTDM
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.