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PDB: 35 件

4Z7P
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X-ray structure of racemic ShK Q16K toxin
分子名称: Potassium channel toxin kappa-stichotoxin-She1a, SULFATE ION
著者Sickmier, E.A.
登録日2015-04-07
公開日2015-09-09
最終更新日2015-09-23
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Pharmaceutical Optimization of Peptide Toxins for Ion Channel Targets: Potent, Selective, and Long-Lived Antagonists of Kv1.3.
J.Med.Chem., 58, 2015
1XCB
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BU of 1xcb by Molmil
X-ray Structure of a Rex-Family Repressor/NADH Complex from Thermus Aquaticus
分子名称: CALCIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Redox-sensing transcriptional repressor rex
著者Sickmier, E.A, Brekasis, D, Paranawithana, S, Bonanno, J.B, Burley, S.K, Paget, M.S, Kielkopf, C.L, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2004-09-01
公開日2004-09-28
最終更新日2021-02-03
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献X-Ray Structure of a Rex-Family Repressor/NADH Complex: Insights into the Mechanism of Redox Sensing
Structure, 13, 2005
2G4B
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BU of 2g4b by Molmil
Structure of U2AF65 variant with polyuridine tract
分子名称: 1,4-DIETHYLENE DIOXIDE, 5'-R(P*UP*UP*UP*UP*UP*UP*U)-3', Splicing factor U2AF 65 kDa subunit
著者Sickmier, E.A, Kielkopf, C.L.
登録日2006-02-21
公開日2006-07-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis of polypyrimidine tract recognition by the essential splicing factor U2AF65.
Mol.Cell, 23, 2006
5IN4
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BU of 5in4 by Molmil
Crystal Structure of GDP-mannose 4,6 dehydratase bound to a GDP-fucose based inhibitor
分子名称: GDP-mannose 4,6 dehydratase, GUANOSINE-5'-DIPHOSPHATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Sickmier, E.A.
登録日2016-03-07
公開日2016-08-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Facile Modulation of Antibody Fucosylation with Small Molecule Fucostatin Inhibitors and Cocrystal Structure with GDP-Mannose 4,6-Dehydratase.
Acs Chem.Biol., 11, 2016
5IN5
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Crystal Structure of GDP-mannose 4,6 dehydratase in complex with natural inhibitor GDP-Fucose
分子名称: GDP-mannose 4,6 dehydratase, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
著者Sickmier, E.A.
登録日2016-03-07
公開日2016-08-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Facile Modulation of Antibody Fucosylation with Small Molecule Fucostatin Inhibitors and Cocrystal Structure with GDP-Mannose 4,6-Dehydratase.
Acs Chem.Biol., 11, 2016
6C2I
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BU of 6c2i by Molmil
Structure of Bace-1 (Beta-Secretase) in complex with : N-(3-((1R,5S,6R)-3-amino-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-5-methoxypyrazine-2-carboxamide
分子名称: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
著者Sickmier, E.A.
登録日2018-01-08
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Diastereoselective synthesis of fused cyclopropyl-3-amino-2,4-oxazine beta-amyloid cleaving enzyme (BACE) inhibitors and their biological evaluation.
Bioorg. Med. Chem. Lett., 28, 2018
5SX4
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BU of 5sx4 by Molmil
Crystal Structure of panitumumab in complex with epidermal growth factor receptor domain 3.
分子名称: 1,2-ETHANEDIOL, Epidermal growth factor receptor, GLYCEROL, ...
著者Sickmier, E.A, Kurzeja, R.J.M, Michelsen, K, Mukta, V, Yang, E, Tasker, A.S.
登録日2016-08-09
公開日2016-10-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The Panitumumab EGFR Complex Reveals a Binding Mechanism That Overcomes Cetuximab Induced Resistance.
Plos One, 11, 2016
5SX5
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Crystal Structure of panitumumab in complex with epidermal growth factor receptor domain 3 mutant S468R.
分子名称: 1,2-ETHANEDIOL, Epidermal growth factor receptor, GLYCEROL, ...
著者Sickmier, E.A.
登録日2016-08-09
公開日2016-10-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Panitumumab EGFR Complex Reveals a Binding Mechanism That Overcomes Cetuximab Induced Resistance.
Plos One, 11, 2016
1RIF
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BU of 1rif by Molmil
Crystal structure of the UvsW helicase from Bacteriophage T4
分子名称: DNA helicase uvsW, GOLD ION, MAGNESIUM ION
著者Sickmier, E.A, White, S.W, Kreuzer, K.N.
登録日2003-11-17
公開日2003-11-25
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Crystal Structure of the UvsW Helicase from Bacteriophage T4.
Structure, 12, 2004
4DUS
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BU of 4dus by Molmil
Structure of Bace-1 (Beta-Secretase) in complex with N-((2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-((6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl)amino)butan-2-yl)acetamide
分子名称: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
著者Sickmier, E.A.
登録日2012-02-22
公開日2012-10-10
最終更新日2014-07-02
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A Potent and Orally Efficacious, Hydroxyethylamine-Based Inhibitor of beta-Secretase.
ACS Med Chem Lett, 3, 2012
4DH6
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Structure of Bace-1 (Beta-Secretase) in Complex with (2R)-N-((2S,3R)-1-(benzo[d][1,3]dioxol-5-yl)-3-hydroxy-4-((S)-6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridine]-4'-ylamino)butan-2-yl)-2-methoxypropanamide
分子名称: (2R)-N-[(2S,3R)-1-(1,3-benzodioxol-5-yl)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxybutan-2-yl]-2-methoxypropanamide, Beta-secretase 1, GLYCEROL, ...
著者Sickmier, E.A.
登録日2012-01-27
公開日2012-04-18
最終更新日2013-07-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Design and preparation of a potent series of hydroxyethylamine containing beta-secretase inhibitors that demonstrate robust reduction of central beta-amyloid.
J.Med.Chem., 55, 2012
3RTH
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BU of 3rth by Molmil
Structure of Bace-1 (Beta-Secretase) in Complex with 6-(2-(3,3-Dimethylbut-1-ynyl)phenyl)quinolin-2-amine
分子名称: 6-[2-(3,3-dimethylbut-1-yn-1-yl)phenyl]quinolin-2-amine, Beta-secretase 1, IODIDE ION
著者Sickmier, E.A.
登録日2011-05-03
公開日2011-08-31
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011
3RTN
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BU of 3rtn by Molmil
Structure of Bace-1 (Beta-Secretase) in Complex with 3-(2-Amino-6-o-tolylquinolin-3-yl)-N-cyclohexylpropanamide
分子名称: 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-cyclohexylpropanamide, Beta-secretase 1, GLYCEROL, ...
著者Sickmier, E.A.
登録日2011-05-03
公開日2011-08-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011
3RSX
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BU of 3rsx by Molmil
Structure of Bace-1 (Beta-Secretase) in Complex with 6-(Thiophen-3-yl)quinolin-2-amine
分子名称: 6-(thiophen-3-yl)quinolin-2-amine, Beta-secretase 1, IODIDE ION
著者Sickmier, E.A.
登録日2011-05-02
公開日2011-08-31
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011
3RTM
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BU of 3rtm by Molmil
Structure of Bace-1 (Beta-Secretase) in Complex with 3-(2-Aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide
分子名称: 3-(2-aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide, Beta-secretase 1, GLYCEROL, ...
著者Sickmier, E.A.
登録日2011-05-03
公開日2011-08-31
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011
3RVI
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BU of 3rvi by Molmil
Structure of Bace-1 (Beta-Secretase) in Complex with 2-((2-Amino-6-o-tolylquinolin-3-yl)methyl)-N-(cyclohexylmethyl)pentanamide
分子名称: (2R)-2-{[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl}-N-(cyclohexylmethyl)pentanamide, Beta-secretase 1, GLYCEROL, ...
著者Sickmier, E.A.
登録日2011-05-06
公開日2011-08-31
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011
3RSV
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BU of 3rsv by Molmil
Structure of Bace-1 (Beta-Secretase) in complex with (R)-3-(2-amino-6-o-tolylquinolin-3-yl)-N-((R)-2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-methylpropanamide
分子名称: (2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-[(4R)-2,2-dimethyltetrahydro-2H-pyran-4-yl]-2-methylpropanamide, Beta-secretase 1, GLYCEROL, ...
著者Sickmier, E.A.
登録日2011-05-02
公開日2011-08-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011
3RU1
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BU of 3ru1 by Molmil
Structure of Bace-1 (Beta-Secretase) in Complex with 3-(2-Aminoquinolin-3-yl)-N-(cyclohexylmethyl)propanamide
分子名称: 3-(2-aminoquinolin-3-yl)-N-(cyclohexylmethyl)propanamide, Beta-secretase 1, GLYCEROL, ...
著者Sickmier, E.A.
登録日2011-05-04
公開日2011-08-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011
1RIH
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BU of 1rih by Molmil
Crystal Structure of Fab 14F7, a unique anti-tumor antibody specific for N-glycolyl GM3
分子名称: heavy chain of antibody 14F7, light chain of antibody 14F7
著者Krengel, U, Olsson, L.-L, Martinez, C, Talavera, A, Rojas, G, Mier, E, Angstrom, J, Moreno, E.
登録日2003-11-17
公開日2004-01-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure and Molecular Interactions of a Unique Antitumor Antibody Specific for N-Glycolyl GM3.
J.Biol.Chem., 279, 2004
3FOL
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BU of 3fol by Molmil
Crystal structure of the Class I MHC Molecule H-2Kwm7 with a Single Self Peptide VNDIFERI
分子名称: 8 residue synthetic peptide, Beta-2-microglobulin, MHC
著者Brims, D.R, Qian, J, Jarchum, I, Yamada, T, Mikesh, L, Palmieri, E, Lund, T, Hattori, M, Shabanowitz, J, Hunt, D.F, Ramagopal, U.A, Malashkevich, V.N, Almo, S.C, Nathenson, S.G, DiLorenzo, T.P.
登録日2008-12-30
公開日2010-01-12
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Predominant occupation of the class I MHC molecule H-2Kwm7 with a single self-peptide suggests a mechanism for its diabetes-protective effect
Int.Immunol., 22, 2010
8SZS
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BU of 8szs by Molmil
Cat DHX9 bound to GDP
分子名称: 1,2-ETHANEDIOL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Lee, Y.-T, Sickmier, E.A, Boriack-Sjodin, P.A.
登録日2023-05-30
公開日2023-09-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Development of assays to support identification and characterization of modulators of DExH-box helicase DHX9.
Slas Discov, 28, 2023
8SZR
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BU of 8szr by Molmil
Dog DHX9 bound to ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RNA helicase, ...
著者Lee, Y.-T, Sickmier, E.A, Grigoriu, S, Boriack-Sjodin, P.A.
登録日2023-05-30
公開日2023-08-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Crystal structures of the DExH-box RNA helicase DHX9.
Acta Crystallogr D Struct Biol, 79, 2023
8SZQ
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Cat DHX9 bound to ADP
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Lee, Y.-T, Sickmier, E.A, Grigoriu, S, Boriack-Sjodin, P.A.
登録日2023-05-30
公開日2023-08-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.711 Å)
主引用文献Crystal structures of the DExH-box RNA helicase DHX9.
Acta Crystallogr D Struct Biol, 79, 2023
8SZP
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Human DHX9 bound to ADP
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase A, ...
著者Lee, Y.-T, Sickmier, E.A, Grigoriu, S, Boriack-Sjodin, P.A.
登録日2023-05-30
公開日2023-08-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Crystal structures of the DExH-box RNA helicase DHX9.
Acta Crystallogr D Struct Biol, 79, 2023
5UYU
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Crystal structure of BACE1 in complex with 2-aminooxazoline-3-azaxanthene compound 12
分子名称: (5S)-3-(3,6-dihydro-2H-pyran-4-yl)-7-[5-(prop-1-yn-1-yl)pyridin-3-yl]-5'H-spiro[1-benzopyrano[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine, Beta-secretase 1, GLYCEROL, ...
著者Whittington, D.A, Long, A.M, Sickmier, E.A.
登録日2017-02-24
公開日2017-05-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Development of 2-aminooxazoline 3-azaxanthene beta-amyloid cleaving enzyme (BACE) inhibitors with improved selectivity against Cathepsin D.
Medchemcomm, 8, 2017

 

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