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2000 PROGRAM $33,394} Twenty-Sixth Annual 1
8:30 am. Registration and Continental Breakfast of addition in fullerene derivatives Th  :43??? S m OSium on l
. . . . us, we ar v i  4X  '- 1"" --
Atrium (Room 1-65), William T. Young Library of fullerene reactivity. e de e oping a theory " . 2:). ll" y p 't-E 3?
. 2. . 9-4::- .~ :I-i .: . 33;,
9:00 a.m. Welcome by Dr. Fitzgerald Bramwell Vice . . " 25'!7,,-::-:1-:l:i ' f3" --
ls... Chemistry
. . _ . . _ . . , . s ~2: . ._ "3" 9 4 - 33,341; 3,-2.5.
lLIVrillllilerhSITygulfizntllggry Auditorium (Room 1 62), g, hellfo'" aIdgnce or at regisraon: Faculty/ gig-mi. .9191}? 9.; 21": fps:
- ues .00; raduate Student ($5.00).] 16'4"" r l" & 2455'"
7357. ,, r. b 9". 1:942 12 "
9:05 am. I tr - - . . . .  4" ., ' "t l"
Sniegrusittyclrgf $3an2; Dr. Anne-Frances Miller, . 2.00 pm. Br. Stanley J. Opella, Universny of Pennsylvania ll?" :45: 52: 1:?
9 10 D . NMH Spectroscopy and Functional Genomics" ;.3,:: Q hi": "I: M o I ec u lar $31 slitlll' 3:
a m agIallIiIcgiraeeguiiirmers, Universdy of Maryland IITheI striiictures of indiwdual proteins and their complexes with it? l at}, 7";
i: . _ . . sm.a mo ocu es, peptides, and nucleotides are being determined at .l 5 ' "l; 5
nggvglsdlzgsglmxl Genome 9509mm 37" an increaISIngly rapid rate. However, most biological functions are car- 91%- {-25:5392. BlOlogy 9, l :l'
ried out in a coordinated fashion by groups of proteins from a single 4429,4132" "-9! 22}: "ll-r3193 '9
Progress made toward understanding the molecular determinants operon or large complexes organized as supramolecular structures, ltllrgll' lr
of HIV-1 genome recognition and packaging will be presented. Cur- such as membranes 0' Viruses. A5 a "35: mo structures Ol only a l" 2'" "4 '3" 'le:l$:pll
rent studies focus on interactions between the HIV-1 nucleocapsid fraction of the proteins can be solved using currently available high l gig. 339;:Yw5
Protein and the stem loop recognition elements of the Psi-packaging throughput melhOdS. OHlY In exceedingly rare cases Will all the struc- * ill-lit: Elli"IHl-qz
signal. including RNA stem loops SL2 and SL3. In addition, structural Mal and regulatory proteins Of an Ioperon 0" virus crystallize l forms ' lll'llfeiflyn- {3, 'f 1
studies of the capsid proteins of the HIV-1 HTLV-I and RSV retroviruses swtable for x-ray diffraction or reorient rapidly in solution for NMR ap- 'zi~3.57=~"ifel"."l 3,.4'5-5.;;..I._; 9
suggest a new mechanism for capsid assembly that involves oxida- proaches. Further, proteins in complexes typically aren't Soluble or, if -41:51? % g; 3?
tion of conserved cysteines, triggered as the assembly virus enters they are soluble, dont reorient rapidly in aqueous solution. Fortunately, 75$??? "W
the oxidizing environment of the bloodstream. solution NMR methodspan be adapted and solid-state NMR methods 21:" .l if~".'.:7=~"":+. livlwii"
are well suited for studies of slowly reorienting, immobile or insoluble 15": =i~2~lilhlzlv"
10:10 am. Break molecules. Examples of how NMR can be used to characterize the 9 9):".5. i 35" s" " l 22"!
. . . . . . structures and dynamics of many proteins found, or soon to be discov- l7:-""~";f ll N l " 5,23. l a ll 3
10.30 am. [5:33:97 E. Wemmer, UmvefSIlY of California at ered, in the course of sequencing genomes will be discussed. 113} l: 993$
. ='." . . i:
"A Structure Based Approach to Design of 3:00 pm. Break i;.-'T.-".T*~j7;x-:f established in the memory of gizigigi
Sequence Specific Minor Groove Ligands" 3:20 pm. Dr. Ad Bax, National Institutes of Health 3255 Anna S Naff )gz-tg,
:: . . 4 .. ' .ii'. :l?"  "-.
d Some years ago we began stmctural studies of the natural prod- PygIcelIIeIaerIIl/Iagnetic Resonance Of Weakly Aligned frag; 1?; 3:3}? 52;):
uct istamycin-A, which binds to A-T rich sequences in DNA using Q" j if: 2 WV
. I . . . I I I . . ;. :_. +4.3'1'G'  .v" .. :.-.-:"*
2,94}; SPeClIlI'IOSCOPY- With a minimum binding Site of four consecutive d' l WIetIak alignment of molecules results in incomplete averaging of .l;.1::.nj:.cggs '..1":*
' Pairs t e distamycin bound in the center of a re ion of narrow 'Po 3 eractions. Provided the alignment l5 extremel weak "103: ll" illflllill 2 I r: if};
minoigroove- As we looked at other combinations 0% A-T pairs we tIheINMR spectrum retains the simplicity and high resolution of (regular iii-:95: 3] NMR speCfroscoRy In '1;$,{+
identified a new lYPe of complex. one in which two distamycin mol- (two state NMR Spoctra, but nevertheless permits measurement of In {2" BIOIOQICOI ChemIS Y 'f:':.;:.1:5 i-i'
eCtiles bound Side-by-side and antiparallel, in a region of wider groove. one- and two-bond dipolar interactions. These provide information 0 8 {kl/:2?  "'5" -- :3 2
This slfuotureIleed us to consider groove width as a major factor in the orientation 0' internuclear vectors, Wthh complements the con- b O '5? 3;? ll; 3:23:12;
d.Gtermining binding affinity. and allowed the successful implementa- ventional NOE and J coupling parameters. SUCh measurements Ol 73 > \t'D Kill-"iii" l '3.f',;=,;:l,'7;if
"on ofI a hydrogen-bond based recognition of (3-6 base pairs. To only make structure determination more robust, they also promise to E % o "wmgcv'5i hi: 3,.
maintain high sequence specificity, and to enhance affinity, it was Iogi- expedite the process and to extend the size Of proteins whose struc- a.) 5 0 lb! 2 1:2: SPEAKERS (ad; :2:
cal to tether the ligands together. With a combination of these ideas it - ture can be studied by NMR .1: E 8 l  :55'21-21552'2 Ad Bax W'
is now possible to design a ligand to bind almost any DNA sequence . - - - U a.) [2'2"irl llzllfll' 57,5465155
of interest with high affinity (dissociation constants in the nanomolar 4'20 p.m. 323Tg333'5292,"'?;3n,;,""k -l M >" 2" +" by? Stanley J- Opella I: jgxtyl";
range) and good specificity (incorrect sequences being bound 10-100 copyq' y pec ros- o l M a; t," 2 ' '1: f;;-.".;}'i$if;k?~
fold less tightly than correct ones). The evolution of this design, and E o o 3393:1235 MIChael F' Summers )mihd
the cgrrentIstatIe of our understanding of the binding modes will be I Essentially all of the chemical reactions in our bodies, and in 1) 3" g +x4tl David E Wemme Egllglxlla:
described in this talk. Examples of the uses of such ligands in a biologY. are mediated by enzymes which catalyze and control each E '5 ._. EgitT-iilir2: ' r y:
biological context w." also be given. reaction. Most of the reactions involved in respiration and primary 3% B 2:0 l5~%re toxic "'5
. metabolism involve gain or loss of electrons and are thus redox reac 1 ,2, "9 f 'vk - - 13%;
11:30 am. Br. H. Peter Spielmann, University of Kentucky tions. We 3"? 5mg NMR SPGCll'OSCOPY to learn how relatively large, 0 3 SE lit-555333 Elli-"713;". FI'IdGY, Apr 7 2000 33 {2 15.11
NMFl Spectroscopy of Novel Materials Slfow and fleXIble molecules such as proteins can control the activities O D 9] 35" l; 1; '2 r": llsll";
0 individual tin , fast, delocalized electrons, for such cont ' ' N'TVilw' All? 3 93"
I FullerenIes are a new allotrope of carbon with new uses, proper- to life. y rol Is cru0ial (*e;4.; D rt f Ch ' it} 51;"
ties and pOSSIny, new synthetic rules. Therefore, we are using 13C . :;I;;~;g:.I1-i:;;}rg epa ment 0 emIStry 21*
NMR spectroscopy and theoretical calculations to correlate chemical 5:00 pm. Optional Tour f the New NMR Facilities le 5 l: Unive It f K t k I} Villl 5:22.,
. . . I . . . . I . i g l'Sl y 0 en uc y ma.
shifts, pyramidalization, and hybridization With observed regiochemistry - 2' ages, ' 3:24.909, 
(http:I/www.chem.uky.edu/seminars/nafflwelcome.html) . we? Lexmgton, KY 40506-0055 Hike?
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