Direct observation of hydrogen atom dynamics and interactions by ultrahigh resolution neutron protein crystallography

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Direct observation of hydrogen atom dynamics and interactions by ultrahigh resolution neutron protein crystallography is …
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scholarly articleQ13442814

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P819ADS bibcode2012PNAS..10915301C
P356DOI10.1073/PNAS.1208341109
P932PMC publication ID3458323
P698PubMed publication ID22949690
P5875ResearchGate publication ID230798557

P2093author name stringAndrey Y Kovalevsky
B Leif Hanson
Julian C-H Chen
Paul Langan
S Zoë Fisher
P2860cites workEnhanced visibility of hydrogen atoms by neutron crystallography on fully deuterated myoglobinQ27621801
Accurate protein crystallography at ultra-high resolution: valence electron distribution in crambinQ27621905
The Catalytic Mechanism of an Aspartic Proteinase Explored with Neutron and X-ray DiffractionQ27650602
Hydrogen Location in Stages of an Enzyme-Catalyzed Reaction: Time-of-Flight Neutron Structure of d -Xylose Isomerase with Bound d -Xylulose † ‡Q27650941
Rapid determination of hydrogen positions and protonation states of diisopropyl fluorophosphatase by joint neutron and X-ray diffraction refinementQ27653388
Neutron Structure of Human Carbonic Anhydrase II: Implications for Proton TransferQ27658694
Unambiguous determination of H-atom positions: comparing results from neutron and high-resolution X-ray crystallographyQ27661348
Metal Ion Roles and the Movement of Hydrogen during Reaction Catalyzed by D-Xylose Isomerase: A Joint X-Ray and Neutron Diffraction StudyQ27662178
The active site protonation states of perdeuterated Toho-1 β-lactamase determined by neutron diffraction support a role for Glu166 as the general base in acylationQ27666390
X-ray and neutron protein crystallographic analysis of the trypsin-BPTI complexQ27666540
Neutron structure of type-III antifreeze protein allows the reconstruction of AFP-ice interfaceQ27667178
Reintroducing Electrostatics into Macromolecular Crystallographic Refinement: Application to Neutron Crystallography and DNA HydrationQ27667479
Crystal structure of small protein crambin at 0.48 Å resolutionQ27667568
Identification of the elusive hydronium ion exchanging roles with a proton in an enzyme at lower pH valuesQ27667951
Neutron Structure of Human Carbonic Anhydrase II: A Hydrogen-Bonded Water Network “Switch” Is Observed between pH 7.8 and 10.0Q27674943
Rapid visualization of hydrogen positions in protein neutron crystallographic structuresQ27676373
Hydrogen-bond network and pH sensitivity in transthyretin: Neutron crystal structure of human transthyretinQ27676770
Room-temperature ultrahigh-resolution time-of-flight neutron and X-ray diffraction studies of H/D-exchanged crambinQ27676992
Atomic resolution (0.83 A) crystal structure of the hydrophobic protein crambin at 130 KQ27732110
The finer things in X-ray diffraction data collectionQ27860660
A graphical user interface to the CCP4 program suiteQ27860911
Ultrahigh resolution drug design I: details of interactions in human aldose reductase-inhibitor complex at 0.66 AQ28262035
Direct determination of the protonation states of aspartic acid-102 and histidine-57 in the tetrahedral intermediate of the serine proteases: neutron structure of trypsinQ30415166
Strength of the Calpha H..O hydrogen bond of amino acid residuesQ31848242
Neutron structure and mechanistic studies of diisopropyl fluorophosphatase (DFPase)Q34257666
Joint X-ray and neutron refinement with phenix.refineQ34257680
High-resolution neutron crystallographic studies of the hydration of the coenzyme cob(II)alaminQ35021263
Neutron diffraction studies of Escherichia coli dihydrofolate reductase complexed with methotrexateQ35171885
Generalized X-ray and neutron crystallographic analysis: more accurate and complete structures for biological macromoleculesQ37200953
Lone pair ... pi interactions between water oxygens and aromatic residues: quantum chemical studies based on high-resolution protein structures and model compoundsQ42581561
A preliminary time-of-flight neutron diffraction study of Streptomyces rubiginosus D-xylose isomeraseQ44745375
The hydration structure of a Z-DNA hexameric duplex determined by a neutron diffraction techniqueQ46616268
Hydrogen bonds and salt bridges across protein-protein interfacesQ47626463
Protein dynamics investigated by the neutron diffraction-hydrogen exchange technique.Q52504687
Study of ethanol-lysozyme interactions using neutron diffractionQ58818166
Effect of protein packing structure on side-chain methyl rotor conformationsQ59062396
Neutron Laue diffraction studies of coenzyme cob(II)alaminQ74629824
P433issue38
P407language of work or nameEnglishQ1860
P921main subjectprotein crystallographyQ50490353
P304page(s)15301-6
P577publication date2012-09-18
P1433published inProceedings of the National Academy of Sciences of the United States of AmericaQ1146531
P1476titleDirect observation of hydrogen atom dynamics and interactions by ultrahigh resolution neutron protein crystallography
P478volume109

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