Does a Fast Nuclear Magnetic Resonance Spectroscopy- and X-Ray Crystallography Hybrid Approach Provide Reliable Structural Information of Ligand-Protein Complexes? A Case Study of Metalloproteinases†

Johan Isaksson; Susanne Nyström; Dean Derbyshire; Hans Wallberg; Tatiana Agback; Helena Kovacs; Ivano Bertini; Andrea Giachetti; Claudio Luchinat

doi:10.1021/jm801388q

Does a Fast Nuclear Magnetic Resonance Spectroscopy- and X-Ray Crystallography Hybrid Approach Provide Reliable Structural Information of Ligand-Protein Complexes? A Case Study of Metalloproteinases†

Journal of Medicinal Chemistry ◽

10.1021/jm801388q ◽

2009 ◽

Vol 52 (6) ◽

pp. 1712-1722 ◽

Cited By ~ 5

Author(s):

Johan Isaksson ◽

Susanne Nyström ◽

Dean Derbyshire ◽

Hans Wallberg ◽

Tatiana Agback ◽

...

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Magnetic Resonance Spectroscopy ◽

Structural Information ◽

Protein Complexes ◽

Hybrid Approach ◽

Resonance Spectroscopy ◽

X Ray ◽

X Ray Crystallography

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Synthesis and characterisation of [N(PPh3)2][RuRh5(CO)16] by X-ray crystallography and by natural-abundance carbon-13 nuclear magnetic resonance spectroscopy

Journal of the Chemical Society Dalton Transactions ◽

10.1039/dt9870000781 ◽

1987 ◽

pp. 781 ◽

Cited By ~ 11

Author(s):

Jouni Pursiainen ◽

Tapani A. Pakkanen ◽

Kimmo Smolander

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Magnetic Resonance Spectroscopy ◽

Nuclear Magnetic Resonance Spectroscopy ◽

Natural Abundance ◽

Resonance Spectroscopy ◽

X Ray ◽

X Ray Crystallography ◽

Nuclear Magnetic

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A study on the structures of 3-methoxycarbonylrifamycins by X-ray crystallography and 1H nuclear magnetic resonance spectroscopy

Journal of the Chemical Society Perkin Transactions 2 ◽

10.1039/p29820001633 ◽

1982 ◽

pp. 1633 ◽

Cited By ~ 3

Author(s):

Luciano Cellai ◽

Silvio Cerrini ◽

Annalaura Segre ◽

Mario Brufani ◽

Walter Fedeli ◽

...

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Magnetic Resonance Spectroscopy ◽

Nuclear Magnetic Resonance Spectroscopy ◽

Resonance Spectroscopy ◽

X Ray ◽

X Ray Crystallography ◽

1H Nuclear Magnetic Resonance ◽

Nuclear Magnetic

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Heterocyclic rearrangements. Part VI. Structure and stereochemistry of a sulphur-bridged tetrahydroazepine and derived sulphoxides, by X-ray crystallography and nuclear magnetic resonance spectroscopy

Journal of the Chemical Society Perkin Transactions 1 ◽

10.1039/p19720000357 ◽

1972 ◽

pp. 357 ◽

Cited By ~ 1

Author(s):

Ulli Eisner ◽

M. Z. Haq ◽

J. Flippen ◽

I. Karle

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Magnetic Resonance Spectroscopy ◽

Nuclear Magnetic Resonance Spectroscopy ◽

Resonance Spectroscopy ◽

X Ray ◽

X Ray Crystallography ◽

Nuclear Magnetic

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Study of the structure of besulpamide, 1-[(4-chloro-3-sulfamoylbenzoyl)amino]2,4,6-trimethylpyridinium hydroxide inner salt, and related compounds, using X-Ray crystallography and1H and13C nuclear magnetic resonance spectroscopy

Journal of Heterocyclic Chemistry ◽

10.1002/jhet.5570260527 ◽

1989 ◽

Vol 26 (5) ◽

pp. 1373-1382 ◽

Cited By ~ 3

Author(s):

Jordi Frigola

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Magnetic Resonance Spectroscopy ◽

Nuclear Magnetic Resonance Spectroscopy ◽

Resonance Spectroscopy ◽

X Ray ◽

X Ray Crystallography ◽

Related Compounds ◽

Nuclear Magnetic

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ChemInform Abstract: Synthesis and Characterisation of (N(PPh3)2)(RuRh5(CO)16) by X-Ray Crystallography and by Natural-Abundance Carbon-13 Nuclear Magnetic Resonance Spectroscopy.

ChemInform ◽

10.1002/chin.198731292 ◽

1987 ◽

Vol 18 (31) ◽

Author(s):

J. PURSIAINEN ◽

T. A. PAKKANEN ◽

K. SMOLANDER

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Magnetic Resonance Spectroscopy ◽

Nuclear Magnetic Resonance Spectroscopy ◽

Natural Abundance ◽

Resonance Spectroscopy ◽

X Ray ◽

X Ray Crystallography ◽

Nuclear Magnetic

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Study of the structure of Droxicam, 5-methyl-3-(2-pyridyl)-2H,5H-1,3-oxazino[5,6-c][1,2]benzothiazine-2,4(3H)-dione 6,6-dioxide, using X-ray crystallography and 1H and 13C nuclear magnetic resonance spectroscopy

Journal of the Chemical Society Perkin Transactions 2 ◽

10.1039/p29880000241 ◽

1988 ◽

pp. 241 ◽

Cited By ~ 8

Author(s):

Jordi Frigola

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Magnetic Resonance Spectroscopy ◽

Nuclear Magnetic Resonance Spectroscopy ◽

Resonance Spectroscopy ◽

X Ray ◽

X Ray Crystallography ◽

13C Nuclear Magnetic Resonance ◽

Nuclear Magnetic

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Structural investigations of 3-acylpyrrolidine-2,4-diones by nuclear magnetic resonance spectroscopy and X-ray crystallography

Journal of the Chemical Society Perkin Transactions 1 ◽

10.1039/p19800001057 ◽

1980 ◽

pp. 1057 ◽

Cited By ~ 69

Author(s):

Magnet J. Nolte ◽

Pieter S. Steyn ◽

Philippus L. Wessels

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Magnetic Resonance Spectroscopy ◽

Nuclear Magnetic Resonance Spectroscopy ◽

Resonance Spectroscopy ◽

Structural Investigations ◽

X Ray ◽

X Ray Crystallography ◽

Nuclear Magnetic

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ChemInform Abstract: STRUCTURAL INVESTIGATIONS OF 3-ACYLPYRROLIDINE-2,4-DIONES BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY AND X-RAY CRYSTALLOGRAPHY

Chemischer Informationsdienst ◽

10.1002/chin.198027059 ◽

1980 ◽

Vol 11 (27) ◽

Author(s):

M. J. NOLTE ◽

P. S. STEYN ◽

P. L. WESSELS

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Magnetic Resonance Spectroscopy ◽

Nuclear Magnetic Resonance Spectroscopy ◽

Resonance Spectroscopy ◽

Structural Investigations ◽

X Ray ◽

X Ray Crystallography ◽

Nuclear Magnetic

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ChemInform Abstract: A STUDY ON THE STRUCTURES OF 3-METHOXYCARBONYLRIFAMYCINS BY X-RAY CRYSTALLOGRAPHY AND PROTON NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY

Chemischer Informationsdienst ◽

10.1002/chin.198312070 ◽

1983 ◽

Vol 14 (12) ◽

Author(s):

L. CELLAI ◽

S. CERRINI ◽

A. SEGRE ◽

M. BRUFANI ◽

W. FEDELI ◽

...

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Magnetic Resonance Spectroscopy ◽

Nuclear Magnetic Resonance Spectroscopy ◽

Proton Nuclear Magnetic Resonance ◽

Resonance Spectroscopy ◽

X Ray ◽

X Ray Crystallography ◽

Nuclear Magnetic

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The structure of a [1,2,5]oxaselenazolo[2,3-b][1,2,5]oxaselenazole-7-se IV by X-ray crystallography and nuclear magnetic resonance spectroscopy

Journal of the Chemical Society D Chemical Communications ◽

10.1039/c29710000594 ◽

1971 ◽

pp. 594 ◽

Cited By ~ 10

Author(s):

R. J. S. Beer ◽

J. R. Hatton ◽

E. C. Llaguno ◽

I. C. Paul

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Magnetic Resonance Spectroscopy ◽

Nuclear Magnetic Resonance Spectroscopy ◽

Resonance Spectroscopy ◽

X Ray ◽

X Ray Crystallography ◽

Nuclear Magnetic

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