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PDB: 48 件

6V8B
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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
7KXL
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BTK1 SOAKED WITH COMPOUND 5, Y551 IS SEQUESTERED
分子名称: 3-tert-butyl-N-({2-fluoro-4-[2-(1-methyl-1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl}methyl)-1,2,4-oxadiazole-5-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK
著者Gardberg, A.
登録日2020-12-04
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 40, 2021
7KXM
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BTK1 SOAKED WITH COMPOUND 5, Y551 IS SEQUESTERED
分子名称: 4-tert-butyl-N-(2-methyl-3-{2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl}phenyl)benzamide, Tyrosine-protein kinase BTK
著者Gardberg, A.
登録日2020-12-04
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 40, 2021
1P6X
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Crystal structure of EHV4-TK complexed with Thy and SO4
分子名称: SULFATE ION, THYMIDINE, Thymidine kinase
著者Gardberg, A, Shuvalova, L, Monnerjahn, C, Konrad, M, Lavie, A.
登録日2003-04-30
公開日2003-11-04
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for the dual thymidine and thymidylate kinase activity of herpes thymidine kinases.
Structure, 11, 2003
1P75
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Crystal structure of EHV4-TK complexed with TP5A
分子名称: P1-(5'-ADENOSYL)P5-(5'-THYMIDYL)PENTAPHOSPHATE, SULFATE ION, Thymidine kinase
著者Gardberg, A, Shuvalova, L, Monnerjahn, C, Konrad, M, Lavie, A.
登録日2003-04-30
公開日2003-11-04
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Structural basis for the dual thymidine and thymidylate kinase activity of herpes thymidine kinases.
Structure, 11, 2003
1P72
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Crystal structure of EHV4-TK complexed with Thy and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, SULFATE ION, THYMIDINE, ...
著者Gardberg, A, Shuvalova, L, Monnerjahn, C, Konrad, M, Lavie, A.
登録日2003-04-30
公開日2003-11-04
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for the dual thymidine and thymidylate kinase activity of herpes thymidine kinases.
Structure, 11, 2003
1P73
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Crystal structure of EHV4-TK complexed with TP4A
分子名称: P1-(5'-ADENOSYL)P4-(5'-(2'-DEOXY-THYMIDYL))TETRAPHOSPHATE, SULFATE ION, Thymidine kinase
著者Gardberg, A, Shuvalova, L, Monnerjahn, C, Konrad, M, Lavie, A.
登録日2003-04-30
公開日2003-11-04
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for the dual thymidine and thymidylate kinase activity of herpes thymidine kinases.
Structure, 11, 2003
2IQA
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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
1P7C
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Crystal Structure of HSV1-TK complexed with TP5A
分子名称: P1-(5'-ADENOSYL)P5-(5'-THYMIDYL)PENTAPHOSPHATE, SULFATE ION, THYMIDINE, ...
著者Gardberg, A, Shuvalova, L, Monnerjahn, C, Konrad, M, Lavie, A.
登録日2003-05-01
公開日2003-11-04
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for the dual thymidine and thymidylate kinase activity of herpes thymidine kinases.
Structure, 11, 2003
2IQ9
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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2023-08-30
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
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
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2023-08-30
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
3EYU
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BU of 3eyu by Molmil
PFA1 Fab fragment complexed with Ror2(518-525)
分子名称: If kappa light chain, PFA1 Fab Heavy Chain, ROR2(518-525) peptide
著者Gardberg, A.S, Dealwis, C.G.
登録日2008-10-21
公開日2009-05-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献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)
分子名称: GLYCEROL, If kappa light chain, PFA1 Fab Heavy Chain, ...
著者Gardberg, A.S, Dealwis, C.G.
登録日2008-10-21
公開日2009-05-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structures of Abeta-related peptide--monoclonal antibody complexes.
Biochemistry, 48, 2009
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
4F83
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BU of 4f83 by Molmil
Crystal structure of the receptor binding domain of botulinum neurotoxin mosaic serotype C/D with a tetraethylene glycol molecule bound on the Hcn sub-domain and a sulfate ion at the putative active site
分子名称: GLYCEROL, SULFATE ION, TETRAETHYLENE GLYCOL, ...
著者Zhang, Y, Buchko, G.W, Gardberg, A, Edwards, T.E, Sankaran, B, Robinson, H, Varnum, S.M, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-05-16
公開日2012-06-20
最終更新日2013-06-12
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural insights into the functional role of the Hcn sub-domain of the receptor-binding domain of the botulinum neurotoxin mosaic serotype C/D.
Biochimie, 95, 2013
4XUZ
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BU of 4xuz by Molmil
Structure of CTX-M-15 bound to RPX-7009 at 1.5 A
分子名称: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ...
著者Clifton, M.C, Gardberg, A.
登録日2015-01-26
公開日2015-04-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of a Cyclic Boronic Acid beta-Lactamase Inhibitor (RPX7009) with Utility vs Class A Serine Carbapenemases.
J.Med.Chem., 58, 2015
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
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2023-09-27
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
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
3VFI
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BU of 3vfi by Molmil
Crystal Structure of a Metagenomic Thioredoxin
分子名称: thioredoxin
著者Craig, T.K, Gardberg, A, Lorimer, D.D, Burgin Jr, A.B, Segall, A, Rohwer, F.
登録日2012-01-09
公開日2013-01-23
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure of a Metagenomic Thioredoxin
To be Published
3MEQ
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BU of 3meq by Molmil
Crystal structure of alcohol dehydrogenase from Brucella melitensis
分子名称: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase, ...
著者Arakaki, T.L, Staker, B.L, Gardberg, A, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-03-31
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of alcohol dehydrogenase from Brucella melitensis
To be Published
3U40
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Crystal structure of a purine nucleoside phosphorylase from Entamoeba histolytica bound to adenosine
分子名称: ADENOSINE, NITRATE ION, PHOSPHATE ION, ...
著者Edwards, T.E, Gardberg, A.S, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-10-06
公開日2011-10-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Expression of proteins in Escherichia coli as fusions with maltose-binding protein to rescue non-expressed targets in a high-throughput protein-expression and purification pipeline.
Acta Crystallogr.,Sect.F, 67, 2011
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