Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules

ACS Medicinal Chemistry Letters ◽

10.1021/acsmedchemlett.8b00286 ◽

2018 ◽

Vol 9 (9) ◽

pp. 929-934 ◽

Author(s):

Jian Zhu ◽

Jing Dong ◽

Laurent Batiste ◽

Andrea Unzue ◽

Aymeric Dolbois ◽

...

Keyword(s):

Small Molecules ◽

Crystal Structures ◽

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Avoiding and detecting errors in X-ray crystal structures of small molecules

Acta Crystallographica Section A Foundations of Crystallography ◽

10.1107/s0108767304098460 ◽

2004 ◽

Vol 60 (a1) ◽

pp. s78-s78

Author(s):

M. Lutz ◽

A. L. Spek

Keyword(s):

Small Molecules ◽

Crystal Structures ◽

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Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions

Journal of Medicinal Chemistry ◽

10.1021/acs.jmedchem.6b00215 ◽

2016 ◽

Vol 59 (11) ◽

pp. 5555-5561 ◽

Author(s):

Jian Zhu ◽

Amedeo Caflisch

Keyword(s):

Crystal Structures ◽

Binding Motifs ◽

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The structures of some small molecules. Ab-initio molecular orbital calculations versus low-temperature neutron diffraction crystal structures

Journal of Molecular Structure ◽

10.1016/0022-2860(85)85021-3 ◽

1985 ◽

Vol 130 (1-2) ◽

pp. 43-53 ◽

Author(s):

G.A. Jeffrey

Keyword(s):

Low Temperature ◽

Neutron Diffraction ◽

Ab Initio ◽

Small Molecules ◽

Crystal Structures ◽

Molecular Orbital ◽

Molecular Orbital Calculations

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What are preferred water–aromatic interactions in proteins and crystal structures of small molecules?

Physical Chemistry Chemical Physics ◽

10.1039/c4cp00929k ◽

2014 ◽

Vol 16 (43) ◽

pp. 23549-23553 ◽

Author(s):

Goran V. Janjić ◽

Saša N. Malkov ◽

Miodrag V. Živković ◽

Snežana D. Zarić

Keyword(s):

Small Molecules ◽

Crystal Structures ◽

Water Molecules ◽

Aromatic Rings ◽

Aromatic Interactions

The distribution of water molecules around aromatic rings in proteins and crystal structures shows the largest number of the weakest interactions.

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Molecular Recognition of Carbohydrates with Artificial Receptors: Mimicking the Binding Motifs Found in the Crystal Structures of Protein−Carbohydrate Complexes

Journal of the American Chemical Society ◽

10.1021/ja043037i ◽

2005 ◽

Vol 127 (25) ◽

pp. 9045-9052 ◽

Author(s):

Monika Mazik ◽

Hüseyin Cavga ◽

Peter G. Jones

Keyword(s):

Molecular Recognition ◽

Crystal Structures ◽

Binding Motifs ◽

Artificial Receptors

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Mimicking the Binding Motifs Found in the Crystal Structures of Protein–Carbohydrate Complexes: An Aromatic Analogue of Serine or Threonine Side Chain Hydroxyl/Main Chain Amide

European Journal of Organic Chemistry ◽

10.1002/ejoc.200700295 ◽

2007 ◽

Vol 2007 (20) ◽

pp. 3271-3276 ◽

Author(s):

Monika Mazik ◽

Alexander König

Keyword(s):

Crystal Structures ◽

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Addition of Small Molecules by Zn(II) and Cu(II) Dinuclear Complexes Obtained by an Amino-Phenolic Ligand. Crystal Structures of the Dinuclear Zinc Complex Assembling Butanolate and Azide Anions

Inorganic Chemistry ◽

10.1021/ic0105415 ◽

2001 ◽

Vol 40 (24) ◽

pp. 6186-6192 ◽

Author(s):

Paolo Dapporto ◽

Mauro Formica ◽

Vieri Fusi ◽

Luca Giorgi ◽

Mauro Micheloni ◽

...

Keyword(s):

Small Molecules ◽

Crystal Structures ◽

Zinc Complex ◽

Dinuclear Complexes

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SIR2000-N, a program for large and small crystal structures

Journal of Applied Crystallography ◽

10.1107/s0021889801005672 ◽

2001 ◽

Vol 34 (4) ◽

pp. 523-526 ◽

Author(s):

Maria Cristina Burla ◽

Mercedes Camalli ◽

Benedetta Carrozzini ◽

Giovanni Luca Cascarano ◽

Carmelo Giacovazzo ◽

...

Keyword(s):

Ab Initio ◽

Small Molecules ◽

Crystal Structures ◽

Small Crystal ◽

Data Resolution

The programSIR2000[Burlaet al.(2000).Acta Cryst.A56, 451–457] was designed for theab initiosolution of macromolecular crystal structures, provided that the data resolution is no lower than 1.2 Å. As the phasing procedure ofSIR2000is rather time consuming, modifications have been introduced to improve its efficiency and to make it additionally suitable for small molecules (new versionSIR2000-N). The role of the tangent refinement in modern phasing procedures is enlightened.

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The putative binding site and SAR rationalization of small molecules against glucagon-like peptide-1 receptor using homology model and crystal structures: a comparative study

Journal of Biomolecular Structure and Dynamics ◽

10.1080/07391102.2020.1835720 ◽

2020 ◽

pp. 1-15

Author(s):

Venkateshwaran Thamaraiselvan ◽

Ravichandiran Velayutham

Keyword(s):

Comparative Study ◽

Small Molecules ◽

Binding Site ◽

Crystal Structures ◽

Homology Model ◽

Glucagon Like Peptide ◽

Glucagon Like Peptide 1 ◽

Putative Binding Site

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Crystal Structures of the Scaffolding Protein LGN Reveal the General Mechanism by Which GoLoco Binding Motifs Inhibit the Release of GDP from Gαi

Journal of Biological Chemistry ◽

10.1074/jbc.m112.391607 ◽

2012 ◽

Vol 287 (44) ◽

pp. 36766-36776 ◽

Author(s):

Min Jia ◽

Jianchao Li ◽

Jinwei Zhu ◽

Wenyu Wen ◽

Mingjie Zhang ◽

...

Keyword(s):

Crystal Structures ◽

Scaffolding Protein ◽

General Mechanism ◽

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