medicinal chemistry, медицинская химия medicinal chemistry, медицинская химия

Crystal structure of native chicken fibrinogen with two different bound ligands

Изображения по теме:

 1m1j, docking, fibrinogen, hem, ligand binding, macromolecules, medicinal chemistry, белки, докинг, медицинская химия, связывание лиганда

Crystal structure of native chicken fibrinogen at 2.7 A resolution.
Blood Clotting
PDB: 1M1J

Morph conformations

Docking

The stereochemistry of the protein myoglobin

Изображения по теме:

docking, hem, ligand binding, macromolecules, medicinal chemistry, белки, докинг, медицинская химия, связывание лиганда, 1mbn, myoglobin

The stereochemistry of the protein myoglobin.
Oxygen Storage
PDB: 1MBN

Morph conformations

Docking

 

Atomic structure of the actin:DNASE I complex

Изображения по теме:

1atn, actin, macromolecule, conformation, актин, белки, docking, макромолекулы

Atomic structure of the actin:DNase I complex.
Endodeoxyribonuclease
PDB: 1ATN

Rotating model: 1, 2

Docking and conformation:

Crystal structure of a heterodimeric complex of RAR and RXR ligand-binding domains

Изображения по теме:

1dkf, docking, ligand binding, macromolecules, medicinal chemistry, белки, докинг, медицинская химия, связывание лиганда

Hormone/growth Factor Receptor
PDB: 1DKF

Morph Conformation: 1, 2

Docking:

  • OLA (Oleic acid): 1, 2
  • BMS: 1, 2, 3

Structure of Aspirin Acetylated Cyclooxygenase-1 in Complex with Diclofenac

Изображения по теме:

cyclooxygenase, 3N8Y, aspirin, diclofinac, docking, ligand binding, macromolecules, medicinal chemistry, белки, докинг, медицинская химия, связывание лиганда

Oxidoreductase
Comparison of cyclooxygenase-1 crystal structures: cross-talk between monomers comprising cyclooxygenase-1 homodimers.
PDB: 3N8Y

Ligand Binding: 12

Docking:

  • BMA (Beta-D-Mannose): 1, 2, 3
  • BOG (B-Octylglucoside): 1, 2
  • DIF (Diclofinac): 1, 2
  • HEM (Protoporphyrin IX): 1, 2
  • SAL (Salicylic acid): 1, 2
  • NDG: (2-(Acetylamino)-2-Deoxy-a-D-Glucopyranose): 1, 2
  • NAG (N-acetyl-D-glucosamine): 1, 2
  • MAN (Alpha-D-Mannose): 1, 2

Structure of HIV-1 protease bound to atazanavir

Изображения по теме:

docking, ligand binding, macromolecules, medicinal chemistry, белки, докинг, медицинская химия, связывание лиганда, 2aqu, atazanavir

Hydrolase
Analysis of HIV-1 CRF_01 A/E protease inhibitor resistance: structural determinants for maintaining sensitivity and developing resistance to atazanavir.
PDB: 2AQU

Structure components: 1, 2, 3

Surface

HIV-1 proteinase complexed with RO 31-8959

Изображения по теме:

1hxb, hiv, hiv-1 proteinase, macromolecule, protein, белки, макромолекулы

Hydrolase/hydrolase Inhibitor
Novel binding mode of highly potent HIV-proteinase inhibitors incorporating the (R)-hydroxyethylamine isostere.
PDB: 1HXB

Ligand binding

Morph conformation

Saquinavir docking: 1, 2

Structure of the human anaplastic lymphoma kinase in complex with crizotinib (PF-02341066)

Изображения по теме:

docking, ligand binding, macromolecules, medicinal chemistry, белки, докинг, медицинская химия, связывание лиганда, 2xp2,crizotinib

Transferase
Structure based drug design of crizotinib (PF-02341066), a potent and selective dual inhibitor of mesenchymal-epithelial transition factor (c-MET) kinase and anaplastic lymphoma kinase (ALK).
PDB: 2XP2

Conformation and ligand binding

Piracetam bound to the ligand binding domain of GluA2

Изображения по теме:

ampa receptors, ampa рецепторы, aniracetam, glutamate, medicinal chemistry, racetam, аллостерические модуляторы, анирацетам, глутамат, рацетамы

Transport Protein
Piracetam defines a new binding site for allosteric modulators of alpha-amino-3-hydroxy-5-methyl-4-isoxazole-propionic acid (AMPA) receptors.
PDB: 3LSF

Docking

Vildagliptin

Изображения по теме:

3d модели молекулы, vildagliptin, вилдаглиптин, медицинская химия, фармакология

Anti-diabetic drug
ChemSpider: 5293734

Rotating model

Aniracetam bound to the ligand binding domain of GluA3

Изображения по теме:

ampa receptors, ampa рецепторы, aniracetam, glutamate, medicinal chemistry, racetam, аллостерические модуляторы, анирацетам, глутамат, рацетамы

Transport Protein
Piracetam defines a new binding site for allosteric modulators of alpha-amino-3-hydroxy-5-methyl-4-isoxazole-propionic acid (AMPA) receptors.
PDB: 3LSW

Ligand Binding

Docking

Piracetam bound to the ligand binding domain of GluA2

Изображения по теме:

ampa receptors, ampa рецепторы, aniracetam, glutamate, medicinal chemistry, racetam, аллостерические модуляторы, анирацетам, глутамат, рацетамы

Transport Protein
Piracetam defines a new binding site for allosteric modulators of alpha-amino-3-hydroxy-5-methyl-4-isoxazole-propionic acid (AMPA) receptors.
PDB: 3LSF

Docking

R6 human insulin hexamer (symmetric), NMR, 10 structures

Изображения по теме:

1aiy, hormone, insulin, insulin hexamer, macromolecule, protein, белки, белок, гексамер инсулина, гормон, инсулин, макромолекулы

Hormone
Solution structures of the R6 human insulin hexamer.
PDB: 1AIY

Morph conformation

Collagen

Изображения по теме:

1bkv, collagen, macromolecule, protein, белки, белок, коллаген, макромолекулы

Structural Protein
Sequence dependent conformational variations of collagen triple-helical structure.
PDB: 1BKV

Conformation and docking

Deoxy RHB1.2 (recombinant hemoglobin)

Изображения по теме:

1c7d, docking, hem, hemoglobin, ligand binding, macromolecules, medicinal chemistry, белки, докинг, медицинская химия, связывание лиганда

Oxygen Storage/transport
Genetically crosslinked hemoglobin: a structural study.
PDB: 1C7D

Conformation

Docking

Crystal structure of the nuclear receptor for vitamin D complexed to vitamin D

Изображения по теме:

1db1, docking, ligand binding, macromolecules, medicinal chemistry, белки, докинг, медицинская химия, связывание лиганда

Gene Regulation
The crystal structure of the nuclear receptor for vitamin D bound to its natural ligand.
PDB: 1DB1

Docking

Structure of human oxyhaemoglobin at 2.1 angstroms resolution

Изображения по теме:

1hho, docking, hem, ligand binding, macromolecules, medicinal chemistry, oxyhaemoglobin, белки, докинг, медицинская химия, связывание лиганда

Oxygen Transport
Structure of human oxyhaemoglobin at 2.1 A resolution.
PDB: 1HHO

HEM docking: 1, 2, 3