Author results

2IPT
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PFA1 FAB FRAGMENT
Descriptor:IgG2a Fab fragment Heavy Chain, IgG2a Fab fragment Light Chain Kappa, ACETAMIDE
Authors:Gardberg, A.S., Dealwis, C.
Deposit date:2006-10-12
Release date:2007-10-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular basis for passive immunotherapy of Alzheimer's disease
Proc.Natl.Acad.Sci.Usa, 104, 2007
2IPU
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PFA1 FAB FRAGMENT COMPLEXED WITH ABETA 1-8 PEPTIDE
Descriptor:IgG2a Fab fragment Heavy Chain, IgG2a Fab fragment Light Chain Kappa, abeta 1-8 peptide, ...
Authors:Gardberg, A.S., Dealwis, C.
Deposit date:2006-10-12
Release date:2007-10-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Molecular basis for passive immunotherapy of Alzheimer's disease
Proc.Natl.Acad.Sci.Usa, 104, 2007
2IQ9
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PFA2 FAB FRAGMENT, TRICLINIC APO FORM
Descriptor:IgG2a Fab fragment PFA2 Kappa light chain, IgG2a Fab fragment PFA2 heavy chain, ACETAMIDE
Authors:Gardberg, A.S., Dealwis, C.
Deposit date:2006-10-13
Release date:2007-10-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular basis for passive immunotherapy of Alzheimer's disease
Proc.Natl.Acad.Sci.Usa, 104, 2007
2IQA
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PFA2 FAB FRAGMENT, MONOCLINIC APO FORM
Descriptor:IgG2a Fab fragment PFA2 Kappa light chain, IgG2a Fab fragment PFA2 heavy chain, ACETAMIDE, ...
Authors:Gardberg, A.S., Dealwis, C.
Deposit date:2006-10-13
Release date:2007-10-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular basis for passive immunotherapy of Alzheimer's disease
Proc.Natl.Acad.Sci.Usa, 104, 2007
2R0W
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PFA2 FAB COMPLEXED WITH ABETA1-8
Descriptor:IgG2a Fab fragment light chain, IgG2a Fab fragment heavy chain, Fd portion, ...
Authors:Gardberg, A.S., Dealwis, C.
Deposit date:2007-08-21
Release date:2007-10-16
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Molecular basis for passive immunotherapy of Alzheimer's disease
Proc.Natl.Acad.Sci.Usa, 104, 2007
2R0Z
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PFA1 FAB COMPLEXED WITH GRIPI PEPTIDE FRAGMENT
Descriptor:IgG2a Fab fragment light chain, IgG2a Fab fragment heavy chain, Fd portion, ...
Authors:Gardberg, A.S., Dealwis, C.
Deposit date:2007-08-21
Release date:2007-10-16
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.096 Å)
Cite:Molecular basis for passive immunotherapy of Alzheimer's disease
Proc.Natl.Acad.Sci.Usa, 104, 2007
3KYU
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X-RAY CRYSTAL STRUCTURE DETERMINATION OF FULLY PERDEUTERATED RUBREDOXIN AT 100K
Descriptor:Rubredoxin, FE (III) ION
Authors:Gardberg, A.S.
Deposit date:2009-12-07
Release date:2010-04-28
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Unambiguous determination of H-atom positions: comparing results from neutron and high-resolution X-ray crystallography.
Acta Crystallogr.,Sect.D, 66, 2010
3KYV
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DENOVO X-RAY CRYSTAL STRUCTURE DETERMINATION OF H-LABELED PERDEUTERATED RUBREDOXIN AT 100K
Descriptor:Rubredoxin, FE (III) ION
Authors:Gardberg, A.S.
Deposit date:2009-12-07
Release date:2010-04-28
Last modified:2011-09-14
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Unambiguous determination of H-atom positions: comparing results from neutron and high-resolution X-ray crystallography.
Acta Crystallogr.,Sect.D, 66, 2010
3KYW
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XRAY CRYSTAL STRUCTURE DETERMINATION OF H-LABELED PERDEUTERATED RUBREDOXIN AT 295K
Descriptor:Rubredoxin, FE (III) ION
Authors:Gardberg, A.S.
Deposit date:2009-12-07
Release date:2010-04-28
Last modified:2011-09-14
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Unambiguous determination of H-atom positions: comparing results from neutron and high-resolution X-ray crystallography.
Acta Crystallogr.,Sect.D, 66, 2010
3KYX
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JOINT XRAY/NEUTRON CRYSTAL STRUCTURE DETERMINATION OF FULLY PERDEUTERATED RUBREDOXIN AT 295K
Descriptor:Rubredoxin, FE (III) ION
Authors:Gardberg, A.S., Meilleur, F.
Deposit date:2009-12-07
Release date:2010-04-28
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (1.675 Å), NEUTRON DIFFRACTION
Cite:Unambiguous determination of H-atom positions: comparing results from neutron and high-resolution X-ray crystallography.
Acta Crystallogr.,Sect.D, 66, 2010
3KYY
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JOINT XRAY/NEUTRON CRYSTAL STRUCTURE DETERMINATION OF H-LABELED PERDEUTERATED RUBREDOXIN AT 295K
Descriptor:Rubredoxin, FE (III) ION
Authors:Gardberg, A.S.
Deposit date:2009-12-07
Release date:2010-04-28
Last modified:2011-09-14
Method:X-RAY DIFFRACTION (1.1 Å), NEUTRON DIFFRACTION
Cite:Unambiguous determination of H-atom positions: comparing results from neutron and high-resolution X-ray crystallography.
Acta Crystallogr.,Sect.D, 66, 2010
4DGQ
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CRYSTAL STRUCTURE OF NON-HEME CHLOROPEROXIDASE FROM BURKHOLDERIA CENOCEPACIA
Descriptor:Non-heme chloroperoxidase, 1,2-ETHANEDIOL
Authors:Gardberg, A.S., Edwards, T.E., Abendroth, J.A., Staker, B., Stewart, L., Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-01-26
Release date:2012-03-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of Non-heme chloroperoxidase from Burkholderia cenocepacia
To be Published
6PF1
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CRYSTAL STRUCTURE OF THE P300 ACETYLTRANSFERASE DOMAIN WITH ALLOSTERIC INHIBITOR CPI-090 AND COA
Descriptor:Histone acetyltransferase p300, COENZYME A, 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-1H-indole
Authors:Gardberg, A.S.
Deposit date:2019-06-21
Release date:2019-10-23
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Make the right measurement: Discovery of an allosteric inhibition site for p300-HAT.
Struct Dyn., 6, 2019
6PGU
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CRYSTAL STRUCTURE OF THE P300 ACETYLTRANSFERASE DOMAIN WITH ALLOSTERIC INHIBITOR CPI-076 AND COA
Descriptor:Histone acetyltransferase p300, COENZYME A, N-(thiophen-2-yl)acetamide
Authors:Setser, J., Gardberg, A.S.
Deposit date:2019-06-24
Release date:2019-10-23
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Make the right measurement: Discovery of an allosteric inhibition site for p300-HAT.
Struct Dyn., 6, 2019
4PJT
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STRUCTURE OF PARP1 CATALYTIC DOMAIN BOUND TO INHIBITOR BMN 673
Descriptor:Poly [ADP-ribose] polymerase 1, SULFATE ION, (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one, ...
Authors:Aoyagi-Scharber, M., Gardberg, A.S., Arakaki, T.L.
Deposit date:2014-05-12
Release date:2014-09-24
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural basis for the inhibition of poly(ADP-ribose) polymerases 1 and 2 by BMN 673, a potent inhibitor derived from dihydropyridophthalazinone.
Acta Crystallogr.,Sect.F, 70, 2014
4PJV
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STRUCTURE OF PARP2 CATALYTIC DOMAIN BOUND TO INHIBITOR BMN 673
Descriptor:Poly [ADP-ribose] polymerase 2, (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one, GLYCEROL
Authors:Aoyagi-Scharber, M., Gardberg, A.S., Edwards, T.L.
Deposit date:2014-05-12
Release date:2014-09-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the inhibition of poly(ADP-ribose) polymerases 1 and 2 by BMN 673, a potent inhibitor derived from dihydropyridophthalazinone.
Acta Crystallogr.,Sect.F, 70, 2014
6OMU
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STRUCTURE OF HUMAN BRUTON'S TYROSINE KINASE IN COMPLEX WITH EVOBRUTINIB
Descriptor:Tyrosine-protein kinase BTK, CHLORIDE ION, 1-[4-({[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino}methyl)piperidin-1-yl]prop-2-en-1-one
Authors:Mochalkin, I., Gardberg, A.S.
Deposit date:2019-04-19
Release date:2019-08-14
Last modified:2019-09-25
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Discovery of Evobrutinib: An Oral, Potent, and Highly Selective, Covalent Bruton's Tyrosine Kinase (BTK) Inhibitor for the Treatment of Immunological Diseases.
J.Med.Chem., 62, 2019
3EYS
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PFA1 FAB FRAGMENT COMPLEXED WITH PYRO-GLU3-A-BETA (3-8)
Descriptor:If kappa light chain, PFA1 Fab Heavy Chain, pyro-Glu3-A-Beta (3-8) peptide, ...
Authors:Gardberg, A.S., Dealwis, C.G.
Deposit date:2008-10-21
Release date:2009-05-12
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structures of Abeta-related peptide--monoclonal antibody complexes.
Biochemistry, 48, 2009
3EYU
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PFA1 FAB FRAGMENT COMPLEXED WITH ROR2(518-525)
Descriptor:If kappa light chain, PFA1 Fab Heavy Chain, ROR2(518-525) peptide
Authors:Gardberg, A.S., Dealwis, C.G.
Deposit date:2008-10-21
Release date:2009-05-12
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structures of Abeta-related peptide--monoclonal antibody complexes.
Biochemistry, 48, 2009
5P9F
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BTK IN COMPLEX WITH GDC-0834
Descriptor:Tyrosine-protein kinase BTK, N-{3-[6-({4-[(2R)-1,4-dimethyl-3-oxopiperazin-2-yl]phenyl}amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl]-2-methylphenyl}-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, 1,2-ETHANEDIOL, ...
Authors:Gardberg, A.S.
Deposit date:2016-09-20
Release date:2017-05-24
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
5P9G
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STRUCTURE OF BTK WITH RN486
Descriptor:Tyrosine-protein kinase BTK, 6-cyclopropyl-8-fluoranyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]-6-oxidanylidene-pyridin-3-yl]phenyl]isoquinolin-1-one
Authors:Gardberg, A.S.
Deposit date:2016-09-20
Release date:2017-05-24
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
5P9H
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BTK1 COCRYSTALLIZED WITH RN983
Descriptor:Tyrosine-protein kinase BTK, 6-~{tert}-butyl-8-fluoranyl-2-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-(1-methylpiperidin-4-yl)pyridin-2-yl]amino]-6-oxidanylidene-pyridazin-3-yl]pyridin-2-yl]phthalazin-1-one
Authors:Gardberg, A.S.
Deposit date:2016-09-20
Release date:2017-05-24
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
5P9I
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BTK1 SOAKED WITH IBRUTINIB-REV
Descriptor:Tyrosine-protein kinase BTK, 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, DIMETHYL SULFOXIDE
Authors:Gardberg, A.S.
Deposit date:2016-09-20
Release date:2017-05-24
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
5P9J
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BTK1 COCRYSTALLIZED WITH IBRUTINIB
Descriptor:Tyrosine-protein kinase BTK, 1-[(3~{R})-3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
Authors:Gardberg, A.S.
Deposit date:2016-09-20
Release date:2017-05-24
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
5P9K
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CRYSTAL STRUCTURE OF BTK WITH CNX 774
Descriptor:Tyrosine-protein kinase BTK, 4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide
Authors:Gardberg, A.S.
Deposit date:2016-09-20
Release date:2017-05-24
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017