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6PF1
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BU of 6pf1 by Molmil
Crystal structure of the p300 acetyltransferase domain with allosteric inhibitor CPI-090 and CoA
Descriptor: 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-1H-indole, COENZYME A, Histone acetyltransferase p300
Authors:Gardberg, A.S.
Deposit date:2019-06-21
Release date:2019-10-23
Last modified:2024-03-13
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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BU of 6pgu by Molmil
Crystal structure of the p300 acetyltransferase domain with allosteric inhibitor CPI-076 and CoA
Descriptor: COENZYME A, Histone acetyltransferase p300, N-(thiophen-2-yl)acetamide
Authors:Gardberg, A.S, Poy, F, Setser, J.
Deposit date:2019-06-24
Release date:2019-10-23
Last modified:2021-12-22
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
2R0Z
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BU of 2r0z by Molmil
PFA1 FAB complexed with GripI peptide fragment
Descriptor: GLYCEROL, GripI peptide fragment, IgG2a Fab fragment heavy chain, ...
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
2R0W
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BU of 2r0w by Molmil
PFA2 FAB complexed with Abeta1-8
Descriptor: Amyloid beta peptide fragment, 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
2IQA
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BU of 2iqa by Molmil
PFA2 FAB fragment, monoclinic apo form
Descriptor: ACETAMIDE, CHLORIDE ION, GLYCEROL, ...
Authors:Gardberg, A.S, Dealwis, C.
Deposit date:2006-10-13
Release date:2007-10-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular basis for passive immunotherapy of Alzheimer's disease
Proc.Natl.Acad.Sci.Usa, 104, 2007
2IPT
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BU of 2ipt by Molmil
PFA1 Fab Fragment
Descriptor: ACETAMIDE, IgG2a Fab fragment Heavy Chain, IgG2a Fab fragment Light Chain Kappa
Authors:Gardberg, A.S, Dealwis, C.
Deposit date:2006-10-12
Release date:2007-10-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular basis for passive immunotherapy of Alzheimer's disease
Proc.Natl.Acad.Sci.Usa, 104, 2007
2IQ9
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BU of 2iq9 by Molmil
PFA2 FAB fragment, triclinic apo form
Descriptor: ACETAMIDE, IgG2a Fab fragment PFA2 Kappa light chain, IgG2a Fab fragment PFA2 heavy chain
Authors:Gardberg, A.S, Dealwis, C.
Deposit date:2006-10-13
Release date:2007-10-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular basis for passive immunotherapy of Alzheimer's disease
Proc.Natl.Acad.Sci.Usa, 104, 2007
2IPU
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BU of 2ipu by Molmil
PFA1 Fab fragment complexed with Abeta 1-8 peptide
Descriptor: ACETAMIDE, GLYCEROL, IgG2a Fab fragment Heavy Chain, ...
Authors:Gardberg, A.S, Dealwis, C.
Deposit date:2006-10-12
Release date:2007-10-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Molecular basis for passive immunotherapy of Alzheimer's disease
Proc.Natl.Acad.Sci.Usa, 104, 2007
4DGQ
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BU of 4dgq by Molmil
Crystal structure of Non-heme chloroperoxidase from Burkholderia cenocepacia
Descriptor: 1,2-ETHANEDIOL, Non-heme chloroperoxidase
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
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of Non-heme chloroperoxidase from Burkholderia cenocepacia
To be Published
3KYU
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BU of 3kyu by Molmil
X-ray crystal structure determination of fully perdeuterated rubredoxin at 100K
Descriptor: FE (III) ION, Rubredoxin
Authors:Gardberg, A.S.
Deposit date:2009-12-07
Release date:2010-04-28
Last modified:2023-09-06
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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BU of 3kyv by Molmil
Denovo X-ray crystal structure determination of H-labeled perdeuterated rubredoxin at 100K
Descriptor: FE (III) ION, Rubredoxin
Authors:Gardberg, A.S.
Deposit date:2009-12-07
Release date:2010-04-28
Last modified:2024-02-21
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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BU of 3kyx by Molmil
Joint Xray/neutron crystal structure determination of fully perdeuterated rubredoxin at 295K
Descriptor: FE (III) ION, Rubredoxin
Authors:Gardberg, A.S, Meilleur, F.
Deposit date:2009-12-07
Release date:2010-04-28
Last modified:2023-09-06
Method:NEUTRON DIFFRACTION (1.675 Å), X-RAY DIFFRACTION
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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BU of 3kyw by Molmil
Xray crystal structure determination of H-labeled perdeuterated rubredoxin at 295K
Descriptor: FE (III) ION, Rubredoxin
Authors:Gardberg, A.S.
Deposit date:2009-12-07
Release date:2010-04-28
Last modified:2023-09-06
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
3KYY
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BU of 3kyy by Molmil
Joint Xray/neutron crystal structure determination of H-labeled perdeuterated rubredoxin at 295K
Descriptor: FE (III) ION, Rubredoxin
Authors:Gardberg, A.S.
Deposit date:2009-12-07
Release date:2010-04-28
Last modified:2023-09-13
Method:NEUTRON DIFFRACTION (1.1 Å), X-RAY DIFFRACTION
Cite:Unambiguous determination of H-atom positions: comparing results from neutron and high-resolution X-ray crystallography.
Acta Crystallogr.,Sect.D, 66, 2010
6V90
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BU of 6v90 by Molmil
Crystal structure of the p300 acetyltransferase domain with AcCoA competitive inhibitor 12
Descriptor: (2R)-2-{[2-(4-cyanophenyl)ethyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide, CHLORIDE ION, Histone acetyltransferase p300, ...
Authors:Gardberg, A.S.
Deposit date:2019-12-12
Release date:2020-04-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Early Drug-Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors.
Chemmedchem, 15, 2020
6V8K
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BU of 6v8k by Molmil
Crystal structure of the p300 acetyltransferase domain with peptide-competitive inhibitor 2
Descriptor: 1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-methylpiperidin-1-yl]ethan-1-one, COENZYME A, DIMETHYL SULFOXIDE, ...
Authors:Gardberg, A.S.
Deposit date:2019-12-11
Release date:2020-04-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Early Drug-Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors.
Chemmedchem, 15, 2020
6V8N
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BU of 6v8n by Molmil
Crystal structure of the p300 acetyltransferase domain with AcCoA competitive inhibitor 17
Descriptor: (2R)-2-{[(2S)-2-(4-cyanophenyl)propyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide, CHLORIDE ION, Histone acetyltransferase p300, ...
Authors:Gardberg, A.S, Wilson, J.E.
Deposit date:2019-12-11
Release date:2020-04-01
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Early Drug-Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors.
Chemmedchem, 15, 2020
6V8B
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BU of 6v8b by Molmil
Crystal structure of the p300 acetyltransferase domain with AcCoA competitive inhibitor 1
Descriptor: 4-(2-{[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino}ethyl)benzene-1-sulfonamide, CHLORIDE ION, Histone acetyltransferase p300, ...
Authors:Gardberg, A.S.
Deposit date:2019-12-10
Release date:2020-04-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:Early Drug-Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors.
Chemmedchem, 15, 2020
6OMU
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BU of 6omu by Molmil
Structure of human Bruton's Tyrosine Kinase in complex with Evobrutinib
Descriptor: 1-[4-({[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino}methyl)piperidin-1-yl]prop-2-en-1-one, CHLORIDE ION, Tyrosine-protein kinase BTK
Authors:Mochalkin, I, Gardberg, A.S.
Deposit date:2019-04-19
Release date:2019-08-14
Last modified:2023-10-11
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
4PJV
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BU of 4pjv by Molmil
Structure of PARP2 catalytic domain bound to inhibitor BMN 673
Descriptor: (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, Poly [ADP-ribose] polymerase 2
Authors:Aoyagi-Scharber, M, Gardberg, A.S, Edwards, T.L.
Deposit date:2014-05-12
Release date:2014-09-24
Last modified:2023-09-27
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
4PJT
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BU of 4pjt by Molmil
Structure of PARP1 catalytic domain bound to inhibitor BMN 673
Descriptor: (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, Poly [ADP-ribose] polymerase 1, ...
Authors:Aoyagi-Scharber, M, Gardberg, A.S, Arakaki, T.L.
Deposit date:2014-05-12
Release date:2014-09-24
Last modified:2023-09-27
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
3EYU
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BU of 3eyu by Molmil
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:2023-12-27
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structures of Abeta-related peptide--monoclonal antibody complexes.
Biochemistry, 48, 2009
3EYS
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BU of 3eys by Molmil
PFA1 Fab fragment complexed with pyro-Glu3-A-Beta (3-8)
Descriptor: GLYCEROL, If kappa light chain, PFA1 Fab Heavy Chain, ...
Authors:Gardberg, A.S, Dealwis, C.G.
Deposit date:2008-10-21
Release date:2009-05-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structures of Abeta-related peptide--monoclonal antibody complexes.
Biochemistry, 48, 2009
5P9H
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BU of 5p9h by Molmil
BTK1 COCRYSTALLIZED WITH RN983
Descriptor: 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, Tyrosine-protein kinase BTK
Authors:Gardberg, A.S.
Deposit date:2016-09-20
Release date:2017-05-24
Last modified:2021-11-17
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
5P9J
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BU of 5p9j by Molmil
BTK1 COCRYSTALLIZED WITH IBRUTINIB
Descriptor: 1-[(3~{R})-3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, Tyrosine-protein kinase BTK
Authors:Gardberg, A.S.
Deposit date:2016-09-20
Release date:2017-05-24
Last modified:2021-11-17
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

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PDB entries from 2024-03-27

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