Yashvant Rao
Protein crystallography
H2
ethane
sucrose
”Crystal engineering”, we make a supermolecule!
node
linker
Molecules are very small, hard to
put together one by one
Xe-atoms on Ni-surface (Don Eigler, 1989)
As they are so small, we must put together very
many before we reach a macroscopic size
A 1 x 1 x 1 mm sugar crystal
conta...
Must be:
 strong
 Directional
Two main types used in CE:
 Hydrogen bonds
 Metal coordination
 Some functional group easily coordinate to
metal ions
N
C
O O
Ca2+
H2O
H2O OH2
OH2
N
C
O O
 “Metal-Organic Frameworks
(MOFs) are crystalline
compounds consisting of
metal ions or clusters
coordinated to often rig...
Can we find organic molecules
that can act as nodes and
generate open, porous networks?
How can we replace the
metal-carbo...
Hydrogen bonding pattern that recurs in
many structures of organic molecules
O
O H O
OH O
N H O
NH
O
O H
O
O
H
C N
H CN
H
H
O
H
O
H
O
H
N
O
H
N
O
O N N
N N O
H H
H
 Provides predicting power
 Example: Aromatic carboxylic acids
O
O H O
OH O
O
O
O
H
H
O
O H O
OH
Fumaric acid complex
Construction of
 polar materials for non-linear optics
 molecular magnets
 porous materials for storage
 molecular sie...
Protein crystallography
X-ray crystallography
Complementary techniques (molecular biology,
protein chemistry, ligand binding studies, cell
biolo...
 Glycobiological Targets
 Mucins
 Bacterial Toxins
 Bacterial Adhesins
 Anti-tumor Antibodies
 Mushroom Lectins
 En...
Biological chemistry
Biological chemistry
Biological chemistry
Biological chemistry
Biological chemistry
Biological chemistry
Biological chemistry
Biological chemistry
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Biological chemistry

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Biological chemistry

  1. 1. Yashvant Rao
  2. 2. Protein crystallography
  3. 3. H2 ethane sucrose
  4. 4. ”Crystal engineering”, we make a supermolecule!
  5. 5. node linker
  6. 6. Molecules are very small, hard to put together one by one Xe-atoms on Ni-surface (Don Eigler, 1989)
  7. 7. As they are so small, we must put together very many before we reach a macroscopic size A 1 x 1 x 1 mm sugar crystal contains 1,4 · 1018 molecules
  8. 8. Must be:  strong  Directional Two main types used in CE:  Hydrogen bonds  Metal coordination
  9. 9.  Some functional group easily coordinate to metal ions N C O O Ca2+ H2O H2O OH2 OH2 N C O O
  10. 10.  “Metal-Organic Frameworks (MOFs) are crystalline compounds consisting of metal ions or clusters coordinated to often rigid organic molecules to form one-, two-, or three- dimensional structures that can be porous” (from Wikipedia) MOF-5
  11. 11. Can we find organic molecules that can act as nodes and generate open, porous networks? How can we replace the metal-carboxylate interaction between node and linker?
  12. 12. Hydrogen bonding pattern that recurs in many structures of organic molecules
  13. 13. O O H O OH O N H O NH O O H O O H C N H CN H H O H O H O H N O H N O O N N N N O H H H
  14. 14.  Provides predicting power  Example: Aromatic carboxylic acids O O H O OH O O O O H H O O H O OH
  15. 15. Fumaric acid complex
  16. 16. Construction of  polar materials for non-linear optics  molecular magnets  porous materials for storage  molecular sieves  sensors  molecule traps  biological model systems  catalysts  and much more
  17. 17. Protein crystallography
  18. 18. X-ray crystallography Complementary techniques (molecular biology, protein chemistry, ligand binding studies, cell biology, molecular docking, organic chemistry) MethodsMethods
  19. 19.  Glycobiological Targets  Mucins  Bacterial Toxins  Bacterial Adhesins  Anti-tumor Antibodies  Mushroom Lectins  Enzymes  Chorismate mutases GlycoNor SMS TargetsTargets ProtStruct

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