High throughput screening and x-ray crystallography assisted evaluation of small molecule scaffolds for CYP51 inhibitors

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sbi3clp

Created on Wed, 2022-05-25 05:40, last updated on Wed, 2022-05-25 05:40

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General Information

This Model was autogenerated from the "Quick Submit" tool.

Model ID

3DPX-017200

Category

Proteins, Macromolecules and Viruses

Keyword(s)

HEME, HEME LIPID SYNTHESIS, Metal-binding, Monooxygenase, NADP, OXIDOREDUCTASE, protein-inhibitor complex, Steroid biosynthesis, Sterol biosynthesis

Protein Data Bank ID

2CIB

Experimental Method

X-RAY DIFFRACTION

Resolution

1.50

Model Details

Associated Species

ESCHERICHIA COLI

Oligomeric Details

monomeric

R-Factor

0.204

Scattering Type

x-ray

Attribution

PubMed ID

17 846 131

Digital Object Identifier (DOI)

10.1128/AAC.00311-07

Citation Title

Small Molecule Scaffolds for Cyp51 Inhibitors Identified by High Throughput Screening and Defined by X-Ray Crystallography

Journal

Antimicrob.Agents Chemother.

Citation Year

2007

STL/VRML Files

PDB-2CIB-ribbon-secondary.wrl

PDB-2CIB-ribbon-rainbow.wrl

PDB-2CIB-ribbon-bychain.wrl

PDB-2CIB-ribbon.stl

PDB-2CIB-surf-bychain.wrl

PDB-2CIB-surf-hydropathy.wrl

PDB-2CIB-surf-coulombic.wrl

PDB-2CIB-surf.stl

PDB-2CIB.zip

X3D Files

PDB-2CIB-ribbon-secondary.x3d

PDB-2CIB-ribbon-rainbow.x3d

PDB-2CIB-ribbon-bychain.x3d

PDB-2CIB-ribbon.x3d

PDB-2CIB-surf-bychain.x3d

PDB-2CIB-surf-hydropathy.x3d

PDB-2CIB-surf-coulombic.x3d

PDB-2CIB-surf.x3d

QR Code for https://3dprint.nih.gov/discover/3dpx-017200

High throughput screening and x-ray crystallography assisted evaluation of small molecule scaffolds for CYP51 inhibitors

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