My protein structures (selected Publicly Available)
Selection of my peer-reviewed protein structures showcasing groundbreaking advancements in structural biology, medicinal chemistry, and immunology. They highlight my expertise in construct design, protein crystallization, and structure determination. These structures solve complex biological problems, covering topics like drug discovery, protein stability, and vaccine design.
Discovery of an Orally Biovailable KRAS G12D Inhibitor
(2025) J Med Chem 68: 1924-1939
| Released | 2025-01-22 |
| Method | X-RAY DIFFRACTION 1.36 Å |
| Organisms | |
| Macromolecule | GTPase KRas (protein) |
| Unique Ligands | A1BEI, GDP, MG |
Discovery of an Orally Bioavailable KRAS G12D Inhibitor
(2025) J Med Chem 68: 1924-1939
| Released | 2025-01-22 |
| Method | X-RAY DIFFRACTION 1.35 Å |
| Organisms | |
| Macromolecule | GTPase KRas (protein) |
| Unique Ligands | A1BEJ, GDP, MG |
Discovery of (4-Pyrazolyl)-2-Aminopyrimidines as Potent and Selective Inhibitors of Cyclin-Dependent Kinase 2
(2024) J Med Chem 67: 3112-3126
| Released | 2024-02-14 |
| Method | X-RAY DIFFRACTION 1.55 Å |
| Organisms | |
| Macromolecule | Cyclin-dependent kinase 2 (protein) |
| Unique Ligands | XKU |
FGFR2 kinase domain in complex with a Pyrazolo[1,5-a]pyrimidine analog (Compound 29)
Lei, H.-T., Epling, L.B., Deller, M.C.
(2022) J Med Chem 65: 15433-15442
| Released | 2022-11-23 |
| Method | X-RAY DIFFRACTION 2.68 Å |
| Organisms | |
| Macromolecule | Fibroblast growth factor receptor 2 (protein) |
| Unique Ligands | U9P |
Crystal structure of [KS3][AT3] didomain from module 3 of 6-deoxyerthronolide B synthase in complex with antibody fragment (Fab)
Deis, L.N., Li, X., Mathews, I.I., Khosla, C.
(2018) J Am Chem Soc 140: 6518-6521
| Released | 2018-05-23 |
| Method | X-RAY DIFFRACTION 2.09 Å |
| Organisms | |
| Macromolecule | Heavy chain of Fab 1B2 (protein) Light chain of Fab 1B2 (protein) |
| Unique Ligands | K, NA |
Crystal Structure of a Cellulose-active Polysaccharide Monooxygenase from M. thermophila (MtPMO3*)
Span, E.A., Deller, M.C., Marletta, M.A.
(2017) ACS Chem Biol 12: 1095-1103
| Released | 2017-03-15 |
| Method | X-RAY DIFFRACTION 2.45 Å |
| Organisms | |
| Macromolecule | Glycoside hydrolase family 61 protein (protein) |
| Unique Ligands | CU |
Crystal structure of the complex of 10E8 Fab light chain mutant1 and T117v2 HIV-1 MPER scaffold
(2017) PLoS Pathog 13: e1006212-e1006212
| Released | 2017-03-08 |
| Method | X-RAY DIFFRACTION 1.62 Å |
| Organisms | |
| Macromolecule | 10E8 EPITOPE SCAFFOLD T117v2 (protein) 10E8 FAB HEAVY CHAIN (protein) 10E8 FAB LIGHT CHAIN (protein) |
| Unique Ligands | GOL |
Crystal structure of an immature VRC01-class antibody DRVIA7 from a Chinese donor bound to clade A/E HIV-1 gp120 core
| Released | 2016-04-06 |
| Method | X-RAY DIFFRACTION 3.396 Å |
| Organisms | |
| Macromolecule | 93TH057 HIV-1 gp120 core (protein) DRVIA7 Fab Heavy Chain (protein) DRVIA7 Fab Light Chain (protein) |
| Unique Ligands | NAG |
| Unique branched monosaccharides | BMA, MAN, NAG |
Crystal structure BG505 SOSIP gp140 HIV-1 Env trimer bound to broadly neutralizing antibodies PGT128 and 8ANC195
Kong, L., Stanfield, R.L., Wilson, I.A.
(2015) Acta Crystallogr D Biol Crystallogr 71: 2099-2108
| Released | 2015-10-07 |
| Method | X-RAY DIFFRACTION 4.6019 Å |
| Organisms | |
| Macromolecule | Unique protein chains: 6 |
| Unique Ligands | NAG, SO4 |
| Unique branched monosaccharides | BMA, MAN, NAG |
Crystal structure of a Nanog homeobox (NANOG) from Homo sapiens at 3.30 A resolution
Joint Center for Structural Genomics (JCSG), Partnership for Stem Cell Biology (STEMCELL)
(2015) Proc Natl Acad Sci U S A 112: 4666-4671
| Released | 2014-10-01 |
| Method | X-RAY DIFFRACTION 3.3 Å |
| Organisms | |
| Macromolecule | Putative homeobox protein NANOGP8 (protein) 5′-D(*CP*TP*TP*GP*AP*AP*TP*GP*GP*GP*CP*C)-3′ (nucleic acid) 5′-D(*GP*GP*CP*CP*CP*AP*TP*TP*CP*AP*AP*G)-3′ (nucleic acid) |
Crystal Structure of the BG505 SOSIP gp140 HIV-1 Env trimer in Complex with the Broadly Neutralizing Fab PGT122
Julien, J.-P., Stanfield, R.L., Lyumkis, D., Ward, A.B., Wilson, I.A.
| Released | 2013-11-13 |
| Method | X-RAY DIFFRACTION 4.7 Å |
| Organisms | |
| Macromolecule | BG505 SOSIP gp120 (protein) BG505 SOSIP gp41 (protein) PGT122 heavy chain (protein) PGT122 light chain (protein) |
| Unique Ligands | NAG |
| Unique branched monosaccharides | BMA, MAN, NAG |
Crystal Structure of PGT 135 Fab in Complex with gp120 Core Protein from HIV-1 Strain JR-FL Bound to CD4 and 17b Fab
(2013) Nat Struct Mol Biol 20: 796-803
| Released | 2013-05-29 |
| Method | X-RAY DIFFRACTION 3.1 Å |
| Organisms | |
| Macromolecule | Unique protein chains: 6 |
| Unique Ligands | NAG, PG4 |
| Unique branched monosaccharides | BMA, MAN, NAG |
Structure of the Hepatitis C virus envelope glycoprotein E2 antigenic region 412-423 bound to the broadly neutralizing antibody AP33
Kong, L., Wilson, I.A., Law, M.
(2012) J Virol 86: 13085-13088
| Released | 2012-09-26 |
| Method | X-RAY DIFFRACTION 2.501 Å |
| Organisms | |
| Macromolecule | AP33 Heavy Chain (protein) AP33 Light chain (protein) E2 peptide (protein) |
Crystal structure of Acetyl xylan esterase (TM0077) from THERMOTOGA MARITIMA at 2.40 A resolution (PMSF inhibitor complex structure)
Joint Center for Structural Genomics (JCSG)
| Released | 2010-05-26 |
| Method | X-RAY DIFFRACTION 2.4 Å |
| Organisms | |
| Macromolecule | Acetyl xylan esterase (protein) |
| Unique Ligands | ACT, CA, EDO |
Crystal Structure of an Octomeric Two-Subunit TrkA K+ Channel Ring Gating Assembly, TM1088A:TM1088B, from Thermotoga maritima
Deller, M.C., Johnson, H.A., Miller, M., Spraggon, G., Wilson, I.A., Lesley, S.A., Joint Center for Structural Genomics (JCSG)
Crystal Structure of a Two-Subunit TrkA Octameric Gating Ring Assembly
| Released | 2010-02-16 |
| Method | X-RAY DIFFRACTION 3.45 Å |
| Organisms | |
| Macromolecule | TrkA K+ Channel protein TM1088A (protein) TrkA K+ Channel protein TM1088B (protein) |
| Unique Ligands | AMP, UNX |
Crystal Structure of an Octomeric Two-Subunit TrkA K+ Channel Ring Gating Assembly, TM1088A:TM1088B, from Thermotoga maritima
Deller, M.C., Johnson, H.A., Miller, M., Spraggon, G., Wilson, I.A., Lesley, S.A., Joint Center for Structural Genomics (JCSG)
Crystal Structure of a Two-Subunit TrkA Octameric Gating Ring Assembly
| Released | 2009-10-06 |
| Method | X-RAY DIFFRACTION 1.55 Å |
| Organisms | |
| Macromolecule | TrkA-N domain protein (protein) |
Crystal structure of a putative metal-dependent phosphoesterase (BAD_1165) from bifidobacterium adolescentis atcc 15703 at 1.94 A resolution
Joint Center for Structural Genomics (JCSG)
| Released | 2010-08-25 |
| Method | X-RAY DIFFRACTION 1.94 Å |
| Organisms | |
| Macromolecule | putative metal-dependent phosphoesterase (protein) |
| Unique Ligands | AMP, EDO, FE, PO4, ZN |
Crystal structure of a putative NTP pyrophosphohydrolase (Exig_1061) from EXIGUOBACTERIUM SP. 255-15 at 1.78 A resolution
Joint Center for Structural Genomics (JCSG)
(2010) Acta Crystallogr Sect F Struct Biol Cryst Commun 66: 1237-1244
| Released | 2010-07-21 |
| Method | X-RAY DIFFRACTION 1.78 Å |
| Organisms | |
| Macromolecule | putative NTP pyrophosphohydrolase (protein) |
| Unique Ligands | EDO |
Crystal structure of a ph domain containing bacterial protein (exig_2160) from exiguobacterium sibiricum 255-15 at 2.42 A resolution
Joint Center for Structural Genomics (JCSG)
(2010) J Mol Biology 396: 31-46
| Released | 2007-11-13 |
| Method | X-RAY DIFFRACTION 2.42 Å |
| Organisms | |
| Macromolecule | Uncharacterized protein (protein) |
CRYSTAL STRUCTURE OF MRE11 FROM THERMOTOGA MARITIMA MSB8 (TM1635) AT 2.20 A RESOLUTION
Joint Center for Structural Genomics (JCSG)
(2010) J Mol Biology 397: 647-663
| Released | 2007-06-26 |
| Method | X-RAY DIFFRACTION 2.2 Å |
| Organisms | |
| Macromolecule | Exonuclease, putative (protein) |
Crystal structure of Histidine Phosphotransferase ShpA (NP_419930.1) from Caulobacter crescentus at 1.52 A resolution
Joint Center for Structural Genomics (JCSG)
(2009) J Mol Biology 390: 686-698
| Released | 2007-02-06 |
| Method | X-RAY DIFFRACTION 1.52 Å |
| Organisms | |
| Macromolecule | Histidine phosphotransferase (protein) |
| Unique Ligands | GOL, PG4 |
Crystal structure of a dye-decolorizing peroxidase (DyP) from Bacteroides thetaiotaomicron VPI-5482 at 1.6 A resolution
Joint Center for Structural Genomics (JCSG)
| Released | 2006-05-16 |
| Method | X-RAY DIFFRACTION 1.6 Å |
| Organisms | |
| Macromolecule | Heme peroxidase (protein) |
| Unique Ligands | ACY, CL, EDO, NA, UNL |
CRYSTAL STRUCTURE OF HUMAN ONCOSTATIN M
Deller, M.C., Hudson, K.R., Ikemizu, S., Bravo, J., Jones, E.Y., Heath, J.K.
| Released | 2000-09-13 |
| Method | X-RAY DIFFRACTION 2.2 Å |
| Organisms | |
| Macromolecule | ONCOSTATIN M (protein) |