Author results

1BM7
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HUMAN TRANSTHYRETIN (PREALBUMIN) COMPLEX WITH FLUFENAMIC ACID (2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID)
Descriptor:PROTEIN (TRANSTHYRETIN), 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID
Authors:Klabunde, T., Kelly, J.W., Sacchettini, J.C.
Deposit date:1998-07-29
Release date:1998-08-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibiting transthyretin conformational changes that lead to amyloid fibril formation.
Proc.Natl.Acad.Sci.USA, 95, 1998
1BMZ
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HUMAN TRANSTHYRETIN (PREALBUMIN)
Descriptor:PROTEIN (TRANSTHYRETIN)
Authors:Klabunde, T., Kelly, J.W., Sacchettini, J.C.
Deposit date:1998-07-27
Release date:1998-08-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibiting transthyretin conformational changes that lead to amyloid fibril formation.
Proc.Natl.Acad.Sci.USA, 95, 1998
1DVQ
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CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN
Descriptor:TRANSTHYRETIN
Authors:Klabunde, T., Petrassi, H.M., Oza, V.B., Kelly, J.W., Sacchettini, J.C.
Deposit date:2000-01-22
Release date:2001-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rational design of potent human transthyretin amyloid disease inhibitors.
Nat.Struct.Biol., 7, 2000
1DVS
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CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN IN COMPLEX WITH RESVERATROL
Descriptor:TRANSTHYRETIN, RESVERATROL
Authors:Klabunde, T., Petrassi, H.M., Oza, V.B., Kelly, J.W., Sacchettini, J.C.
Deposit date:2000-01-22
Release date:2001-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rational design of potent human transthyretin amyloid disease inhibitors.
Nat.Struct.Biol., 7, 2000
1DVT
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CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN IN COMPLEX WITH FLURBIPROFEN
Descriptor:TRANSTHYRETIN, FLURBIPROFEN
Authors:Klabunde, T., Petrassi, H.M., Oza, V.B., Kelly, J.W., Sacchettini, J.C.
Deposit date:2000-01-22
Release date:2001-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rational design of potent human transthyretin amyloid disease inhibitors.
Nat.Struct.Biol., 7, 2000
1DVU
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CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN IN COMPLEX WITH DIBENZOFURAN-4,6-DICARBOXYLIC ACID
Descriptor:TRANSTHYRETIN, DIBENZOFURAN-4,6-DICARBOXYLIC ACID
Authors:Klabunde, T., Petrassi, H.M., Oza, V.B., Kelly, J.W., Sacchettini, J.C.
Deposit date:2000-01-22
Release date:2001-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rational design of potent human transthyretin amyloid disease inhibitors.
Nat.Struct.Biol., 7, 2000
1DVX
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CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN IN COMPLEX WITH DICLOFENAC
Descriptor:TRANSTHYRETIN, 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID
Authors:Klabunde, T., Petrassi, H.M., Oza, V.B., Kelly, J.W., Sacchettini, J.C.
Deposit date:2000-01-23
Release date:2001-01-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rational design of potent human transthyretin amyloid disease inhibitors.
Nat.Struct.Biol., 7, 2000
1DVY
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CRYSTAL STRUCTURE OF TRANSTHYRETIN IN COMPLEX WITH N-(M-TRIFLUOROMETHYLPHENYL) PHENOXAZINE-4,6-DICARBOXYLIC ACID
Descriptor:TRANSTHYRETIN, N-(M-TRIFLUOROMETHYLPHENYL) PHENOXAZINE-4,6-DICARBOXYLIC ACID
Authors:Klabunde, T., Petrassi, H.M., Oza, V.B., Kelly, J.W., Sacchettini, J.C.
Deposit date:2000-01-23
Release date:2001-01-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rational design of potent human transthyretin amyloid disease inhibitors.
Nat.Struct.Biol., 7, 2000
1DVZ
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CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN IN COMPLEX WITH O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID
Descriptor:TRANSTHYRETIN, O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID
Authors:Klabunde, T., Petrassi, H.M., Oza, V.B., Kelly, J.W., Sacchettini, J.C.
Deposit date:2000-01-23
Release date:2001-01-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rational design of potent human transthyretin amyloid disease inhibitors.
Nat.Struct.Biol., 7, 2000
1GKO
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AN ENGINEERED TRANSTHYRETIN MONOMER THAT IS NON-AMYLOIDOGENIC - UNLESS PARTIALLY DENATURED
Descriptor:TRANSTHYRETIN
Authors:Jiang, X., Smith, C.S., Petrassi, H.M., Hammarstrom, P., White, J.T., Sacchettini, J.C., Kelly, J.W.
Deposit date:2001-08-17
Release date:2001-11-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An Engineered Transthyretin Monomer that is Nonamyloidogenic, Unless It is Partially Denatured
Biochemistry, 40, 2001
1PTZ
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CRYSTAL STRUCTURE OF THE HUMAN CU, ZN SUPEROXIDE DISMUTASE, FAMILIAL AMYOTROPHIC LATERAL SCLEROSIS (FALS) MUTANT H43R
Descriptor:Superoxide dismutase [Cu-Zn], COPPER (I) ION, ZINC ION, ...
Authors:DiDonato, M., Craig, L., Huff, M.E., Thayer, M.M., Cardoso, R.M.F., Kassmann, C.J., Lo, T.P., Bruns, C.K., Powers, E.T., Kelly, J.W., Getzoff, E.D., Tainer, J.A.
Deposit date:2003-06-23
Release date:2003-09-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:ALS Mutants of Human Superoxide Dismutase Form Fibrous Aggregates Via Framework Destabilization
J.Mol.Biol., 332, 2003
1PU0
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STRUCTURE OF HUMAN CU,ZN SUPEROXIDE DISMUTASE
Descriptor:Superoxide dismutase [Cu-Zn], COPPER (I) ION, ZINC ION, ...
Authors:DiDonato, M., Craig, L., Huff, M.E., Thayer, M.M., Cardoso, R.M.F., Kassmann, C.J., Lo, T.P., Bruns, C.K., Powers, E.T., Kelly, J.W., Getzoff, E.D., Tainer, J.A.
Deposit date:2003-06-23
Release date:2003-09-09
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:ALS Mutants of Human Superoxide Dismutase Form Fibrous Aggregates Via Framework Destabilization
J.Mol.Biol., 332, 2003
1SMO
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CRYSTAL STRUCTURE OF HUMAN TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 1 (TREM-1) AT 1.47 .
Descriptor:triggering receptor expressed on myeloid cells 1, L(+)-TARTARIC ACID
Authors:Kelker, M.S., Foss, T.R., Peti, W., Teyton, L., Kelly, J.W., Wilson, I.A.
Deposit date:2004-03-09
Release date:2004-09-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Crystal Structure of Human Triggering Receptor Expressed on Myeloid Cells 1 (TREM-1) at 1.47A.
J.Mol.Biol., 342, 2004
1U21
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TRANSTHYRETIN WITH TETHERED INHIBITOR ON ONE MONOMER.
Descriptor:Transthyretin, 2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACID
Authors:Wiseman, R.L., Johnson, S.M., Kelker, M.S., Foss, T., Wilson, I.A., Kelly, J.W.
Deposit date:2004-07-16
Release date:2005-06-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Kinetic stabilization of an oligomeric protein by a single ligand binding event
J.Am.Chem.Soc., 127, 2005
1Y7V
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X-RAY STRUCTURE OF HUMAN ACID-BETA-GLUCOSIDASE COVALENTLY BOUND TO CONDURITOL B EPOXIDE
Descriptor:Glucosylceramidase, N-ACETYL-D-GLUCOSAMINE, SULFATE ION, ...
Authors:Premkumar, L., Sawkar, A.R., Boldin-Adamsky, S., Toker, L., Silman, I., Kelly, J.W., Futerman, A.H., Sussman, J.L., Israel Structural Proteomics Center (ISPC)
Deposit date:2004-12-10
Release date:2005-04-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-ray structure of human acid-beta-glucosidase covalently bound to conduritol-B-epoxide. Implications for Gaucher disease.
J.Biol.Chem., 280, 2005
1ZCN
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HUMAN PIN1 NG MUTANT
Descriptor:Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, PHOSPHATE ION, PENTAETHYLENE GLYCOL
Authors:Jager, M., Zhang, Y., Nguyen, H., Dendel, G., Bowman, M.E., Gruebele, M., Noel, J.P., Kelly, J.W.
Deposit date:2005-04-12
Release date:2006-06-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-function-folding relationship in a WW domain.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2B77
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HUMAN TRANSTHYRETIN (TTR) COMPLEXED WITH DIFLUNISAL ANALOGUES- TTR.2',4'-DICHLORO-4-HYDROXY-1,1'-BIPHENYL-3-CARBOXYLIC ACID
Descriptor:Transthyretin, 2',4'-DICHLORO-4-HYDROXY-1,1'-BIPHENYL-3-CARBOXYLIC ACID
Authors:Palaninathan, S.K., Kelly, J.W., Sacchettini, J.C.
Deposit date:2005-10-03
Release date:2005-10-11
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Diflunisal analogues stabilize the native state of transthyretin. Potent inhibition of amyloidogenesis.
J.Med.Chem., 47, 2004
2B9A
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HUMAN TRANSTHYRETIN (TTR) COMPLEXED WITH DIFLUNISAL ANALOGUES- TTR.3',5'-DIFLUOROBIPHENYL-4-CARBOXYLIC ACID
Descriptor:Transthyretin, 3',5'-DIFLUOROBIPHENYL-4-CARBOXYLIC ACID
Authors:Palaninathan, S.K., Kelly, J.W., Sacchettini, J.C.
Deposit date:2005-10-11
Release date:2005-10-25
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Diflunisal Analogues Stabilize the Native State of Transthyretin. Potent Inhibition of Amyloidogenesis.
J.Med.Chem., 47, 2004
2F21
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HUMAN PIN1 FIP MUTANT
Descriptor:Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, PENTAETHYLENE GLYCOL
Authors:Jager, M., Zhang, Y., Bowman, M.E., Noel, J.P., Kelly, J.W.
Deposit date:2005-11-15
Release date:2006-06-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-function-folding relationship in a WW domain.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2F7I
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HUMAN TRANSTHYRETIN (TTR) COMPLEXED WITH DIFLUNISAL ANALOGUES- TTR. 2',6'-DIFLUOROBIPHENYL-4-CARBOXYLIC ACID
Descriptor:Transthyretin, 2',6'-DIFLUOROBIPHENYL-4-CARBOXYLIC ACID
Authors:Palaninathan, S.K., Kelly, J.W., Sacchettini, J.C.
Deposit date:2005-11-30
Release date:2005-12-13
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Diflunisal Analogues Stabilize the Native State of Transthyretin. Potent Inhibition of Amyloidogenesis.
J.Med.Chem., 47, 2004
2F8I
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HUMAN TRANSTHYRETIN (TTR) COMPLEXED WITH BENZOXAZOLE
Descriptor:Transthyretin, 2-(2,6-DICHLOROPHENYL)-1,3-BENZOXAZOLE-6-CARBOXYLIC ACID
Authors:Palaninathan, S.K., Mohamedmohaideen, N.N., Sacchettini, J.C., Kelly, J.W.
Deposit date:2005-12-02
Release date:2005-12-20
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.541 Å)
Cite:Benzoxazoles as transthyretin amyloid fibril inhibitors: synthesis, evaluation, and mechanism of action
Angew.Chem.Int.Ed.Engl., 42, 2003
2FBR
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HUMAN TRANSTHYRETIN (TTR) COMPLEXED WITH BIVALANT AMYLOID INHIBITOR (4 CARBON LINKER)
Descriptor:Transthyretin, 4'-(4-{4-[(2-CARBOXYPHENYL)AMINO]PHENOXY}BUTOXY)-1,1'-BIPHENYL-4-CARBOXYLIC ACID
Authors:Palaninathan, S.K., Kelly, J.W., Sacchettini, J.C.
Deposit date:2005-12-09
Release date:2005-12-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Synthesis and characterization of potent bivalent amyloidosis inhibitors that bind prior to transthyretin tetramerization.
J.Am.Chem.Soc., 125, 2003
2FLM
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HUMAN TRANSTHYRETIN (TTR) COMPLEXED WITH BIVALANT AMYLOID INHIBITOR (6 CARBON LINKER)
Descriptor:Transthyretin, 4'-{6-[4-(2-CARBOXYPHENYLAMINO)-PHENOXY]-HEXYLOXY}-BIPHENYL-4-CARBOXYLIC ACID
Authors:Palaninathan, S.K., Kelly, J.W., Sacchettini, J.C.
Deposit date:2006-01-06
Release date:2006-02-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Synthesis and characterization of potent bivalent amyloidosis inhibitors that bind prior to transthyretin tetramerization.
J.Am.Chem.Soc., 125, 2003
2G5U
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HUMAN TRANSTHYRETIN (TTR) COMPLEXED WITH HYDROXYLATED POLYCHLORINATED BIPHENYL-4,4'-DIHYDROXY-3,3',5,5'-TETRACHLOROBIPHENYL
Descriptor:Transthyretin, 3,5,3',5'-TETRACHLORO-BIPHENYL-4,4'-DIOL
Authors:Palaninathan, S.K., Smith, C., Safe, S.H., Kelly, J.W., Sacchettini, J.C.
Deposit date:2006-02-23
Release date:2006-03-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Hydroxylated polychlorinated biphenyls selectively bind transthyretin in blood and inhibit amyloidogenesis: rationalizing rodent PCB toxicity
Chem.Biol., 11, 2004
2G9K
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HUMAN TRANSTHYRETIN (TTR) COMPLEXED WITH HYDROXYLATED POLYCHLORINATED BIPHENYL-4-HYDROXY-2',3,3',4',5-PENTACHLOROBIPHENYL
Descriptor:Transthyretin, 2',3,3',4',5-PENTACHLOROBIPHENYL-4-OL
Authors:Palaninathan, S.K., Smith, C., Safe, S.H., Kelly, J.W., Sacchettini, J.C.
Deposit date:2006-03-06
Release date:2006-03-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Hydroxylated polychlorinated biphenyls selectively bind transthyretin in blood and inhibit amyloidogenesis: rationalizing rodent PCB toxicity
Chem.Biol., 11, 2004