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4DGQ
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BU of 4dgq by Molmil
Crystal structure of Non-heme chloroperoxidase from Burkholderia cenocepacia
分子名称: 1,2-ETHANEDIOL, Non-heme chloroperoxidase
著者Gardberg, A.S, Edwards, T.E, Abendroth, J.A, Staker, B, Stewart, L, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-01-26
公開日2012-03-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of Non-heme chloroperoxidase from Burkholderia cenocepacia
To be Published
2R0Z
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BU of 2r0z by Molmil
PFA1 FAB complexed with GripI peptide fragment
分子名称: GLYCEROL, GripI peptide fragment, IgG2a Fab fragment heavy chain, ...
著者Gardberg, A.S, Dealwis, C.
登録日2007-08-21
公開日2007-10-16
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.096 Å)
主引用文献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
分子名称: Amyloid beta peptide fragment, IgG2a Fab fragment heavy chain, Fd portion, ...
著者Gardberg, A.S, Dealwis, C.
登録日2007-08-21
公開日2007-10-16
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.503 Å)
主引用文献Molecular basis for passive immunotherapy of Alzheimer's disease
Proc.Natl.Acad.Sci.Usa, 104, 2007
6PF1
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BU of 6pf1 by Molmil
Crystal structure of the p300 acetyltransferase domain with allosteric inhibitor CPI-090 and CoA
分子名称: 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-1H-indole, COENZYME A, Histone acetyltransferase p300
著者Gardberg, A.S.
登録日2019-06-21
公開日2019-10-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献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
分子名称: COENZYME A, Histone acetyltransferase p300, N-(thiophen-2-yl)acetamide
著者Gardberg, A.S, Poy, F, Setser, J.
登録日2019-06-24
公開日2019-10-23
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Make the right measurement: Discovery of an allosteric inhibition site for p300-HAT.
Struct Dyn., 6, 2019
2IPT
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BU of 2ipt by Molmil
PFA1 Fab Fragment
分子名称: ACETAMIDE, IgG2a Fab fragment Heavy Chain, IgG2a Fab fragment Light Chain Kappa
著者Gardberg, A.S, Dealwis, C.
登録日2006-10-12
公開日2007-10-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称: ACETAMIDE, CHLORIDE ION, GLYCEROL, ...
著者Gardberg, A.S, Dealwis, C.
登録日2006-10-13
公開日2007-10-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称: ACETAMIDE, IgG2a Fab fragment PFA2 Kappa light chain, IgG2a Fab fragment PFA2 heavy chain
著者Gardberg, A.S, Dealwis, C.
登録日2006-10-13
公開日2007-10-09
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
分子名称: ACETAMIDE, GLYCEROL, IgG2a Fab fragment Heavy Chain, ...
著者Gardberg, A.S, Dealwis, C.
登録日2006-10-12
公開日2007-10-09
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Molecular basis for passive immunotherapy of Alzheimer's disease
Proc.Natl.Acad.Sci.Usa, 104, 2007
3KYU
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BU of 3kyu by Molmil
X-ray crystal structure determination of fully perdeuterated rubredoxin at 100K
分子名称: FE (III) ION, Rubredoxin
著者Gardberg, A.S.
登録日2009-12-07
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献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
分子名称: FE (III) ION, Rubredoxin
著者Gardberg, A.S.
登録日2009-12-07
公開日2010-04-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献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
分子名称: FE (III) ION, Rubredoxin
著者Gardberg, A.S.
登録日2009-12-07
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献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
分子名称: FE (III) ION, Rubredoxin
著者Gardberg, A.S, Meilleur, F.
登録日2009-12-07
公開日2010-04-28
最終更新日2023-09-06
実験手法NEUTRON DIFFRACTION (1.675 Å), X-RAY DIFFRACTION
主引用文献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
分子名称: FE (III) ION, Rubredoxin
著者Gardberg, A.S.
登録日2009-12-07
公開日2010-04-28
最終更新日2023-09-13
実験手法NEUTRON DIFFRACTION (1.1 Å), X-RAY DIFFRACTION
主引用文献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
分子名称: (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, ...
著者Gardberg, A.S.
登録日2019-12-12
公開日2020-04-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献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
分子名称: 1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-methylpiperidin-1-yl]ethan-1-one, COENZYME A, DIMETHYL SULFOXIDE, ...
著者Gardberg, A.S.
登録日2019-12-11
公開日2020-04-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献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
分子名称: 4-(2-{[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino}ethyl)benzene-1-sulfonamide, CHLORIDE ION, Histone acetyltransferase p300, ...
著者Gardberg, A.S.
登録日2019-12-10
公開日2020-04-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.13 Å)
主引用文献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
分子名称: (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, ...
著者Gardberg, A.S, Wilson, J.E.
登録日2019-12-11
公開日2020-04-01
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
分子名称: 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
著者Mochalkin, I, Gardberg, A.S.
登録日2019-04-19
公開日2019-08-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献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
分子名称: (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
著者Aoyagi-Scharber, M, Gardberg, A.S, Edwards, T.L.
登録日2014-05-12
公開日2014-09-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
分子名称: (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, ...
著者Aoyagi-Scharber, M, Gardberg, A.S, Arakaki, T.L.
登録日2014-05-12
公開日2014-09-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献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
5P9G
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BU of 5p9g by Molmil
Structure of BTK with RN486
分子名称: 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, Tyrosine-protein kinase BTK
著者Gardberg, A.S.
登録日2016-09-20
公開日2017-05-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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
5P9M
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BU of 5p9m by Molmil
BTK1 BINDS COVALENTLY TO HY-15771 ONO-4059
分子名称: 6-azanyl-9-[(3~{R})-1-[(~{E})-but-2-enoyl]pyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK
著者Gardberg, A.S.
登録日2016-09-20
公開日2017-05-24
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献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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BU of 5p9k by Molmil
CRYSTAL STRUCTURE OF BTK with CNX 774
分子名称: 4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide, Tyrosine-protein kinase BTK
著者Gardberg, A.S.
登録日2016-09-20
公開日2017-05-24
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献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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BU of 5p9i by Molmil
BTK1 SOAKED WITH IBRUTINIB-Rev
分子名称: 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, Tyrosine-protein kinase BTK
著者Gardberg, A.S.
登録日2016-09-20
公開日2017-05-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.11 Å)
主引用文献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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件を2024-11-06に公開中

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