Preliminary joint X-ray and neutron protein crystallographic studies of ecDHFR complexed with folate and NADP+.

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Preliminary joint X-ray and neutron protein crystallographic studies of ecDHFR complexed with folate and NADP+. is …
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scholarly articleQ13442814

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P356DOI10.1107/S2053230X1400942X
P932PMC publication ID4051544
P698PubMed publication ID24915100

P50authorPaul LanganQ44745418
Andrey KovalevskyQ47503013
Qun WanQ57199823
P2093author name stringMark A Wilson
Brad C Bennett
Chris Dealwis
P2860cites workPHENIX: a comprehensive Python-based system for macromolecular structure solutionQ24654617
Crystal structure of the anthrax drug target, Bacillus anthracis dihydrofolate reductaseQ27647158
A joint x-ray and neutron study on amicyanin reveals the role of protein dynamics in electron transferQ27660363
Malarial dihydrofolate reductase as a paradigm for drug development against a resistance-compromised targetQ27674154
Protonation-state determination in proteins using high-resolution X-ray crystallography: effects of resolution and completenessQ27681678
The IMAGINE instrument: first neutron protein structure and new capabilities for neutron macromolecular crystallographyQ27687010
Isomorphous crystal structures of Escherichia coli dihydrofolate reductase complexed with folate, 5-deazafolate, and 5,10-dideazatetrahydrofolate: mechanistic implicationsQ27730384
Loop and subdomain movements in the mechanism of Escherichia coli dihydrofolate reductase: crystallographic evidenceQ27734681
HKL-3000: the integration of data reduction and structure solution--from diffraction images to an initial model in minutesQ27860502
Overview of the CCP4 suite and current developmentsQ27860782
On the determinants of amide backbone exchange in proteins: a neutron crystallographic comparative study.Q30370123
Seeds to crystalsQ31140774
Determination by Raman spectroscopy of the pKa of N5 of dihydrofolate bound to dihydrofolate reductase: mechanistic implicationsQ33367187
Neutrons expand the field of structural biologyQ33745426
Role of water in the catalytic cycle of E. coli dihydrofolate reductaseQ34129428
Joint X-ray and neutron refinement with phenix.refineQ34257680
Neutron diffraction studies of Escherichia coli dihydrofolate reductase complexed with methotrexateQ35171885
Identification of endogenous ligands bound to bacterially expressed human and E. coli dihydrofolate reductase by 2D NMR.Q35549298
Neutron crystallography: opportunities, challenges, and limitationsQ36982392
Generalized X-ray and neutron crystallographic analysis: more accurate and complete structures for biological macromoleculesQ37200953
Theoretical studies on the dihydrofolate reductase mechanism: electronic polarization of bound substratesQ37554441
Dihydrofolate reductase as a therapeutic targetQ37920947
Dihydrofolate reductase as a therapeutic target for infectious diseases: opportunities and challengesQ38026606
Conformational change of the methionine 20 loop of Escherichia coli dihydrofolate reductase modulates pKa of the bound dihydrofolateQ42041846
Energetically most likely substrate and active-site protonation sites and pathways in the catalytic mechanism of dihydrofolate reductaseQ43687091
Preliminary neutron diffraction studies of Escherichia coli dihydrofolate reductase bound to the anticancer drug methotrexateQ46461223
Dynamics of a flexible loop in dihydrofolate reductase from Escherichia coli and its implication for catalysis.Q54642715
Dissociation constants for dihydrofolic acid and dihydrobiopterin and implications for mechanistic models for dihydrofolate reductaseQ56700394
Neutron protein crystallography: beyond the folding structure of biological macromoleculesQ80401485
P433issuePt 6
P921main subjectfolic acidQ127060
P304page(s)814-818
P577publication date2014-05-25
P1433published inActa crystallographica. Section F, Structural biology communicationsQ27725274
P1476titlePreliminary joint X-ray and neutron protein crystallographic studies of ecDHFR complexed with folate and NADP+.
P478volume70

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Q30301213Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallographycites workP2860

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