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Items: 1 to 50 of 73

1.

Fragment-based screen against HIV protease.

Perryman AL, Zhang Q, Soutter HH, Rosenfeld R, McRee DE, Olson AJ, Elder JE, Stout CD.

Chem Biol Drug Des. 2010 Mar;75(3):257-68. doi: 10.1111/j.1747-0285.2009.00943.x. Epub 2010 Jan 19.

2.

A copper(I)-catalyzed 1,2,3-triazole azide-alkyne click compound is a potent inhibitor of a multidrug-resistant HIV-1 protease variant.

Giffin MJ, Heaslet H, Brik A, Lin YC, Cauvi G, Wong CH, McRee DE, Elder JH, Stout CD, Torbett BE.

J Med Chem. 2008 Oct 23;51(20):6263-70. doi: 10.1021/jm800149m. Epub 2008 Sep 30.

3.

XtalView, protein structure solution and protein graphics, a short history.

McRee DE, Israel M.

J Struct Biol. 2008 Sep;163(3):208-13. doi: 10.1016/j.jsb.2008.02.004. Epub 2008 Feb 29. Review.

PMID:
18411057
4.

Conformational flexibility in the flap domains of ligand-free HIV protease.

Heaslet H, Rosenfeld R, Giffin M, Lin YC, Tam K, Torbett BE, Elder JH, McRee DE, Stout CD.

Acta Crystallogr D Biol Crystallogr. 2007 Aug;63(Pt 8):866-75. Epub 2007 Jul 17.

PMID:
17642513
5.

Functional and crystal structure analysis of active site adaptations of a potent anti-angiogenic human tRNA synthetase.

Yang XL, Guo M, Kapoor M, Ewalt KL, Otero FJ, Skene RJ, McRee DE, Schimmel P.

Structure. 2007 Jul;15(7):793-805.

6.

Structural basis for the inhibition of Aurora A kinase by a novel class of high affinity disubstituted pyrimidine inhibitors.

Tari LW, Hoffman ID, Bensen DC, Hunter MJ, Nix J, Nelson KJ, McRee DE, Swanson RV.

Bioorg Med Chem Lett. 2007 Feb 1;17(3):688-91. Epub 2006 Nov 2.

PMID:
17157005
7.

Two conformations of a crystalline human tRNA synthetase-tRNA complex: implications for protein synthesis.

Yang XL, Otero FJ, Ewalt KL, Liu J, Swairjo MA, Köhrer C, RajBhandary UL, Skene RJ, McRee DE, Schimmel P.

EMBO J. 2006 Jun 21;25(12):2919-29. Epub 2006 May 25.

8.

Use of high-throughput crystallography and in silico methods for structure-based drug design.

Tari LW, McRee DE, Jennings AJ.

Methods Biochem Anal. 2005;45:107-29. Review. No abstract available.

PMID:
19235293
9.

Novel anion-independent iron coordination by members of a third class of bacterial periplasmic ferric ion-binding proteins.

Shouldice SR, McRee DE, Dougan DR, Tari LW, Schryvers AB.

J Biol Chem. 2005 Feb 18;280(7):5820-7. Epub 2004 Dec 2.

10.

Differential evolution for protein crystallographic optimizations.

McRee DE.

Acta Crystallogr D Biol Crystallogr. 2004 Dec;60(Pt 12 Pt 1):2276-9. Epub 2004 Nov 26.

PMID:
15572781
11.

Structural snapshots of human HDAC8 provide insights into the class I histone deacetylases.

Somoza JR, Skene RJ, Katz BA, Mol C, Ho JD, Jennings AJ, Luong C, Arvai A, Buggy JJ, Chi E, Tang J, Sang BC, Verner E, Wynands R, Leahy EM, Dougan DR, Snell G, Navre M, Knuth MW, Swanson RV, McRee DE, Tari LW.

Structure. 2004 Jul;12(7):1325-34.

12.

Structural basis for iron binding and release by a novel class of periplasmic iron-binding proteins found in gram-negative pathogens.

Shouldice SR, Skene RJ, Dougan DR, Snell G, McRee DE, Schryvers AB, Tari LW.

J Bacteriol. 2004 Jun;186(12):3903-10.

13.

Alanyl-tRNA synthetase crystal structure and design for acceptor-stem recognition.

Swairjo MA, Otero FJ, Yang XL, Lovato MA, Skene RJ, McRee DE, Ribas de Pouplana L, Schimmel P.

Mol Cell. 2004 Mar 26;13(6):829-41.

14.

Crystal structures that suggest late development of genetic code components for differentiating aromatic side chains.

Yang XL, Otero FJ, Skene RJ, McRee DE, Schimmel P, Ribas de Pouplana L.

Proc Natl Acad Sci U S A. 2003 Dec 23;100(26):15376-80. Epub 2003 Dec 11.

15.

Presence of ferric hydroxide clusters in mutants of Haemophilus influenzae ferric ion-binding protein A.

Shouldice SR, Skene RJ, Dougan DR, McRee DE, Tari LW, Schryvers AB.

Biochemistry. 2003 Oct 21;42(41):11908-14.

PMID:
14556621
16.

Crystal structure of Pasteurella haemolytica ferric ion-binding protein A reveals a novel class of bacterial iron-binding proteins.

Shouldice SR, Dougan DR, Williams PA, Skene RJ, Snell G, Scheibe D, Kirby S, Hosfield DJ, McRee DE, Schryvers AB, Tari LW.

J Biol Chem. 2003 Oct 17;278(42):41093-8. Epub 2003 Jul 25.

17.

Crystal structures of active fully assembled substrate- and product-bound complexes of UDP-N-acetylmuramic acid:L-alanine ligase (MurC) from Haemophilus influenzae.

Mol CD, Brooun A, Dougan DR, Hilgers MT, Tari LW, Wijnands RA, Knuth MW, McRee DE, Swanson RV.

J Bacteriol. 2003 Jul;185(14):4152-62.

18.

The crystal structure of shikimate dehydrogenase (AroE) reveals a unique NADPH binding mode.

Ye S, Von Delft F, Brooun A, Knuth MW, Swanson RV, McRee DE.

J Bacteriol. 2003 Jul;185(14):4144-51.

19.

The first structure of a microsomal P450--implications for drug discovery.

Tennant M, McRee DE.

Curr Opin Drug Discov Devel. 2001 Sep;4(5):671-7. Review.

PMID:
12825462
20.

Structure of a c-kit product complex reveals the basis for kinase transactivation.

Mol CD, Lim KB, Sridhar V, Zou H, Chien EY, Sang BC, Nowakowski J, Kassel DB, Cronin CN, McRee DE.

J Biol Chem. 2003 Aug 22;278(34):31461-4. Epub 2003 Jun 24.

21.

High-resolution structure of the soluble, respiratory-type Rieske protein from Thermus thermophilus: analysis and comparison.

Hunsicker-Wang LM, Heine A, Chen Y, Luna EP, Todaro T, Zhang YM, Williams PA, McRee DE, Hirst J, Stout CD, Fee JA.

Biochemistry. 2003 Jun 24;42(24):7303-17.

PMID:
12809486
22.

High-resolution crystal structures and spectroscopy of native and compound I cytochrome c peroxidase.

Bonagura CA, Bhaskar B, Shimizu H, Li H, Sundaramoorthy M, McRee DE, Goodin DB, Poulos TL.

Biochemistry. 2003 May 20;42(19):5600-8.

PMID:
12741816
23.

A fully integrated protein crystallization platform for small-molecule drug discovery.

Hosfield D, Palan J, Hilgers M, Scheibe D, McRee DE, Stevens RC.

J Struct Biol. 2003 Apr;142(1):207-17. Review.

PMID:
12718932
24.

High resolution structure of an alternate form of the ferric ion binding protein from Haemophilus influenzae.

Shouldice SR, Dougan DR, Skene RJ, Tari LW, McRee DE, Yu RH, Schryvers AB.

J Biol Chem. 2003 Mar 28;278(13):11513-9. Epub 2003 Jan 17.

25.

[Computer model of 3D structure of cytochrome P450 2B4].

Sechenykh AA, Dubanov AV, Skvortsov VS, Ivanov AS, Archakov AI, Williams P, Cosme J, Johnson EF, McRee DE.

Vopr Med Khim. 2002 Sep-Oct;48(5):526-38. Russian.

PMID:
12498097
26.

Structures of the cancer-related Aurora-A, FAK, and EphA2 protein kinases from nanovolume crystallography.

Nowakowski J, Cronin CN, McRee DE, Knuth MW, Nelson CG, Pavletich NP, Rogers J, Sang BC, Scheibe DN, Swanson RV, Thompson DA.

Structure. 2002 Dec;10(12):1659-67.

27.

Crystal structure of a human aminoacyl-tRNA synthetase cytokine.

Yang XL, Skene RJ, McRee DE, Schimmel P.

Proc Natl Acad Sci U S A. 2002 Nov 26;99(24):15369-74. Epub 2002 Nov 11.

28.

Crystallographic and biochemical analyses of the metal-free Haemophilus influenzae Fe3+-binding protein.

Bruns CM, Anderson DS, Vaughan KG, Williams PA, Nowalk AJ, McRee DE, Mietzner TA.

Biochemistry. 2001 Dec 25;40(51):15631-7.

PMID:
11747438
29.

Replacement of the axial histidine ligand with imidazole in cytochrome c peroxidase. 1. Effects on structure.

Hirst J, Wilcox SK, Williams PA, Blankenship J, McRee DE, Goodin DB.

Biochemistry. 2001 Feb 6;40(5):1265-73.

PMID:
11170452
30.

Integrity of thermus thermophilus cytochrome c552 synthesized by Escherichia coli cells expressing the host-specific cytochrome c maturation genes, ccmABCDEFGH: biochemical, spectral, and structural characterization of the recombinant protein.

Fee JA, Chen Y, Todaro TR, Bren KL, Patel KM, Hill MG, Gomez-Moran E, Loehr TM, Ai J, Thöny-Meyer L, Williams PA, Stura E, Sridhar V, McRee DE.

Protein Sci. 2000 Nov;9(11):2074-84.

31.

Recombinant cytochrome rC557 obtained from Escherichia coli cells expressing a truncated Thermus thermophilus cycA gene. Heme inversion in an improperly matured protein.

McRee DE, Williams PA, Sridhar V, Pastuszyn A, Bren KL, Patel KM, Chen Y, Todaro TR, Sanders D, Luna E, Fee JA.

J Biol Chem. 2001 Mar 2;276(9):6537-44. Epub 2000 Nov 7.

32.

Microsomal cytochrome P450 2C5: comparison to microbial P450s and unique features.

Williams PA, Cosme J, Sridhar V, Johnson EF, McRee DE.

J Inorg Biochem. 2000 Aug 31;81(3):183-90.

PMID:
11051563
33.

Mammalian microsomal cytochrome P450 monooxygenase: structural adaptations for membrane binding and functional diversity.

Williams PA, Cosme J, Sridhar V, Johnson EF, McRee DE.

Mol Cell. 2000 Jan;5(1):121-31.

34.

Magnetic circular dichroism studies of the active site heme coordination sphere of exogenous ligand-free ferric cytochrome c peroxidase from yeast: effects of sample history and pH.

Pond AE, Sono M, Elenkova EA, McRee DE, Goodin DB, English AM, Dawson JH.

J Inorg Biochem. 1999 Sep 30;76(3-4):165-74.

PMID:
10605835
36.

The CuA domain of Thermus thermophilus ba3-type cytochrome c oxidase at 1.6 A resolution.

Williams PA, Blackburn NJ, Sanders D, Bellamy H, Stura EA, Fee JA, McRee DE.

Nat Struct Biol. 1999 Jun;6(6):509-16.

PMID:
10360350
37.

Electric fields in active sites: substrate switching from null to strong fields in thiol- and selenol-subtilisins.

Dinakarpandian D, Shenoy BC, Hilvert D, McRee DE, McTigue M, Carey PR.

Biochemistry. 1999 May 18;38(20):6659-67.

PMID:
10350485
38.
39.

Rational design of a functional metalloenzyme: introduction of a site for manganese binding and oxidation into a heme peroxidase.

Wilcox SK, Putnam CD, Sastry M, Blankenship J, Chazin WJ, McRee DE, Goodin DB.

Biochemistry. 1998 Dec 1;37(48):16853-62.

PMID:
9836578
40.
41.

Protein conformer selection by ligand binding observed with crystallography.

Cao Y, Musah RA, Wilcox SK, Goodin DB, McRee DE.

Protein Sci. 1998 Jan;7(1):72-8.

42.

Living with metal ions.

McRee DE.

Nat Struct Biol. 1998 Jan;5(1):8-10. No abstract available.

PMID:
9437418
43.

Structure of Haemophilus influenzae Fe(+3)-binding protein reveals convergent evolution within a superfamily.

Bruns CM, Nowalk AJ, Arvai AS, McTigue MA, Vaughan KG, Mietzner TA, McRee DE.

Nat Struct Biol. 1997 Nov;4(11):919-24.

PMID:
9360608
44.

Structure of a protein photocycle intermediate by millisecond time-resolved crystallography.

Genick UK, Borgstahl GE, Ng K, Ren Z, Pradervand C, Burke PM, Srajer V, Teng TY, Schildkamp W, McRee DE, Moffat K, Getzoff ED.

Science. 1997 Mar 7;275(5305):1471-5.

45.

Crystal structure of dUTP pyrophosphatase from feline immunodeficiency virus.

Prasad GS, Stura EA, McRee DE, Laco GS, Hasselkus-Light C, Elder JH, Stout CD.

Protein Sci. 1996 Dec;5(12):2429-37.

46.

Crystal structure of Aplysia ADP ribosyl cyclase, a homologue of the bifunctional ectozyme CD38.

Prasad GS, McRee DE, Stura EA, Levitt DG, Lee HC, Stout CD.

Nat Struct Biol. 1996 Nov;3(11):957-64.

PMID:
8901875
47.

A ligand-gated, hinged loop rearrangement opens a channel to a buried artificial protein cavity.

Fitzgerald MM, Musah RA, McRee DE, Goodin DB.

Nat Struct Biol. 1996 Jul;3(7):626-31.

PMID:
8673607
48.

Altering substrate specificity at the heme edge of cytochrome c peroxidase.

Wilcox SK, Jensen GM, Fitzgerald MM, McRee DE, Goodin DB.

Biochemistry. 1996 Apr 16;35(15):4858-66.

PMID:
8664277
49.

The role of aspartate-235 in the binding of cations to an artificial cavity at the radical site of cytochrome c peroxidase.

Fitzgerald MM, Trester ML, Jensen GM, McRee DE, Goodin DB.

Protein Sci. 1995 Sep;4(9):1844-50.

50.

Construction of a bisaquo heme enzyme and binding by exogenous ligands.

McRee DE, Jensen GM, Fitzgerald MM, Siegel HA, Goodin DB.

Proc Natl Acad Sci U S A. 1994 Dec 20;91(26):12847-51.

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