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Academic Journal

Pseudouridine synthase 7 is an opportunistic enzyme that binds and modifies substrates with diverse sequences and structures.

  • Authors : Purchal MK; Program in Chemical Biology, University of Michigan, Ann Arbor, MI 48109.; Eyler DE

Subjects: Amino Acid Sequence* ; Binding Sites* ; Models, Molecular*

  • Source: Proceedings of the National Academy of Sciences of the United States of America [Proc Natl Acad Sci U S A] 2022 Jan 25; Vol. 119 (4).Publisher: National Academy of Sciences Country of Publication: United States NLM ID: 7505876 Publication Model: Print Cited Medium: Internet ISSN:

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Academic Journal

In Silico Prediction and Validation of CB2 Allosteric Binding Sites to Aid the Design of Allosteric Modulators.

  • Authors : Yuan J; Department of Pharmaceutical Sciences and Computational Chemical Genomics Screening Center, School of Pharmacy, University of Pittsburgh, Pittsburgh, PA 15261, USA.; Department of Pharmaceutical Sciences and National Center of Excellence for Computational Drug Abuse Research, School of Pharmacy, University of Pittsburgh, Pittsburgh, PA 15261, USA.

Subjects: Allosteric Site* ; Binding Sites* ; Drug Design*

  • Source: Molecules (Basel, Switzerland) [Molecules] 2022 Jan 11; Vol. 27 (2). Date of Electronic Publication: 2022 Jan 11.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049

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Academic Journal

Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production.

  • Authors : Sudasinghe TD; Department of Pharmaceutical Sciences, University of Nebraska Medical Center, Omaha, NE, 68198, USA.; Banco MT

Subjects: Binding Sites* ; Models, Molecular*; Antitubercular Agents/Antitubercular Agents/Antitubercular Agents/*chemistry

  • Source: Scientific reports [Sci Rep] 2021 Nov 15; Vol. 11 (1), pp. 22240. Date of Electronic Publication: 2021 Nov 15.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN:

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Academic Journal

Autoencoder-based detection of the residues involved in G protein-coupled receptor signaling.

  • Authors : Tsuchiya Y; Artificial Intelligence Research Center, National Institute of Advanced Industrial Science and Technology, 2-4-7 Aomi, Koto-ku, Tokyo, 135-0064, Japan. .; Taneishi K

Subjects: Amino Acid Motifs* ; Binding Sites* ; Models, Molecular*

  • Source: Scientific reports [Sci Rep] 2021 Oct 06; Vol. 11 (1), pp. 19867. Date of Electronic Publication: 2021 Oct 06.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN:

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Academic Journal

Mutagenic Analysis of the Putative ABCC6 Substrate-Binding Cavity Using a New Homology Model.

  • Authors : Szeri F; Department of Dermatology and Cutaneous Biology and PXE Center of Excellence in Research and Clinical Care, Thomas Jefferson University, Philadelphia, PA 19107, USA.; Research Centre for Natural Sciences, Institute of Enzymology, 1117 Budapest, Hungary.

Subjects: Binding Sites* ; Models, Molecular* ; Mutation*

  • Source: International journal of molecular sciences [Int J Mol Sci] 2021 Jun 27; Vol. 22 (13). Date of Electronic Publication: 2021 Jun 27.Publisher: MDPI Country of Publication: Switzerland NLM ID: 101092791 Publication Model: Electronic Cited Medium: Internet ISSN: 1422-0067

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Academic Journal

' All That Glitters Is Not Gold ': High-Resolution Crystal Structures of Ligand-Protein Complexes Need Not Always Represent Confident Binding Poses.

  • Authors : Chakraborti S; Molecular Biophysics Unit, Indian Institute of Science, Bengaluru 560012, Karnataka, India.; Hatti K

Subjects: Binding Sites* ; Ligands* ; Models, Molecular*

  • Source: International journal of molecular sciences [Int J Mol Sci] 2021 Jun 25; Vol. 22 (13). Date of Electronic Publication: 2021 Jun 25.Publisher: MDPI Country of Publication: Switzerland NLM ID: 101092791 Publication Model: Electronic Cited Medium: Internet ISSN: 1422-0067

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Academic Journal

Structural Insights into the Active Site Formation of DUSP22 in N-loop-containing Protein Tyrosine Phosphatases.

  • Authors : Lai CH; Institute of Bioinformatics and Structural Biology, Department of Life Science, National Tsing Hua University, Hsinchu 30013, Taiwan.; Chang CC

Subjects: Binding Sites* ; Catalytic Domain* ; Models, Molecular*

  • Source: International journal of molecular sciences [Int J Mol Sci] 2020 Oct 12; Vol. 21 (20). Date of Electronic Publication: 2020 Oct 12.Publisher: MDPI Country of Publication: Switzerland NLM ID: 101092791 Publication Model: Electronic Cited Medium: Internet ISSN: 1422-0067

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Academic Journal

All-Atomic Molecular Dynamic Studies of Human and Drosophila CDK8: Insights into Their Kinase Domains, the LXXLL Motifs, and Drug Binding Site.

  • Authors : Xu W; Department of Chemistry, University of Louisiana at Lafayette, P.O. Box 44370, Lafayette, LA 70504, USA.; Xie XJ

Subjects: Amino Acid Motifs* ; Binding Sites* ; Models, Molecular*

  • Source: International journal of molecular sciences [Int J Mol Sci] 2020 Oct 12; Vol. 21 (20). Date of Electronic Publication: 2020 Oct 12.Publisher: MDPI Country of Publication: Switzerland NLM ID: 101092791 Publication Model: Electronic Cited Medium: Internet ISSN: 1422-0067

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Academic Journal

Factor XII and kininogen asymmetric assembly with gC1qR/C1QBP/P32 is governed by allostery.

Subjects: Allosteric Site* ; Binding Sites* ; Models, Molecular*

  • Source: Blood [Blood] 2020 Oct 01; Vol. 136 (14), pp. 1685-1697.Publisher: Elsevier Country of Publication: United States NLM ID: 7603509 Publication Model: Print Cited Medium: Internet ISSN: 1528-0020

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Academic Journal

Computational redesign of the Escherichia coli ribose-binding protein ligand binding pocket for 1,3-cyclohexanediol and cyclohexanol.

  • Authors : Tavares D; Department of Fundamental Microbiology, University of Lausanne, 1015, Lausanne, Switzerland.; Reimer A

Subjects: Binding Sites* ; Drug Design* ; Models, Molecular*

  • Source: Scientific reports [Sci Rep] 2019 Nov 15; Vol. 9 (1), pp. 16940. Date of Electronic Publication: 2019 Nov 15.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN:

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