4Z7P
 
 | | X-ray structure of racemic ShK Q16K toxin | | Descriptor: | Potassium channel toxin kappa-stichotoxin-She1a, SULFATE ION | | Authors: | Sickmier, E.A. | | Deposit date: | 2015-04-07 | | Release date: | 2015-09-09 | | Last modified: | 2015-09-23 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Pharmaceutical Optimization of Peptide Toxins for Ion Channel Targets: Potent, Selective, and Long-Lived Antagonists of Kv1.3.
J.Med.Chem., 58, 2015
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1XCB
 | | X-ray Structure of a Rex-Family Repressor/NADH Complex from Thermus Aquaticus | | Descriptor: | CALCIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Redox-sensing transcriptional repressor rex | | Authors: | 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) | | Deposit date: | 2004-09-01 | | Release date: | 2004-09-28 | | Last modified: | 2021-02-03 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | X-Ray Structure of a Rex-Family Repressor/NADH Complex: Insights into the Mechanism of Redox Sensing
Structure, 13, 2005
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2G4B
 | | Structure of U2AF65 variant with polyuridine tract | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 5'-R(P*UP*UP*UP*UP*UP*UP*U)-3', Splicing factor U2AF 65 kDa subunit | | Authors: | Sickmier, E.A, Kielkopf, C.L. | | Deposit date: | 2006-02-21 | | Release date: | 2006-07-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis of polypyrimidine tract recognition
by the essential splicing factor U2AF65.
Mol.Cell, 23, 2006
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5IN4
 | | Crystal Structure of GDP-mannose 4,6 dehydratase bound to a GDP-fucose based inhibitor | | Descriptor: | GDP-mannose 4,6 dehydratase, GUANOSINE-5'-DIPHOSPHATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Sickmier, E.A. | | Deposit date: | 2016-03-07 | | Release date: | 2016-08-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Facile Modulation of Antibody Fucosylation with Small Molecule Fucostatin Inhibitors and Cocrystal Structure with GDP-Mannose 4,6-Dehydratase.
Acs Chem.Biol., 11, 2016
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5IN5
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6C2I
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5SX4
 | | Crystal Structure of panitumumab in complex with epidermal growth factor receptor domain 3. | | Descriptor: | 1,2-ETHANEDIOL, Epidermal growth factor receptor, GLYCEROL, ... | | Authors: | Sickmier, E.A, Kurzeja, R.J.M, Michelsen, K, Mukta, V, Yang, E, Tasker, A.S. | | Deposit date: | 2016-08-09 | | Release date: | 2016-10-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The Panitumumab EGFR Complex Reveals a Binding Mechanism That Overcomes Cetuximab Induced Resistance.
Plos One, 11, 2016
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5SX5
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1RIF
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4DUS
 | | 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 | | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | | Authors: | Sickmier, E.A. | | Deposit date: | 2012-02-22 | | Release date: | 2012-10-10 | | Last modified: | 2014-07-02 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A Potent and Orally Efficacious, Hydroxyethylamine-Based Inhibitor of beta-Secretase.
ACS Med Chem Lett, 3, 2012
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4DH6
 | | 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 | | Descriptor: | (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, ... | | Authors: | Sickmier, E.A. | | Deposit date: | 2012-01-27 | | Release date: | 2012-04-18 | | Last modified: | 2013-07-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | 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
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3RTH
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3RTN
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3RSX
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3RTM
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3RVI
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3RSV
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3RU1
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1RIH
 | | Crystal Structure of Fab 14F7, a unique anti-tumor antibody specific for N-glycolyl GM3 | | Descriptor: | heavy chain of antibody 14F7, light chain of antibody 14F7 | | Authors: | Krengel, U, Olsson, L.-L, Martinez, C, Talavera, A, Rojas, G, Mier, E, Angstrom, J, Moreno, E. | | Deposit date: | 2003-11-17 | | Release date: | 2004-01-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure and Molecular Interactions of a Unique Antitumor Antibody Specific for N-Glycolyl GM3.
J.Biol.Chem., 279, 2004
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3FOL
 | | Crystal structure of the Class I MHC Molecule H-2Kwm7 with a Single Self Peptide VNDIFERI | | Descriptor: | 8 residue synthetic peptide, Beta-2-microglobulin, MHC | | Authors: | 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. | | Deposit date: | 2008-12-30 | | Release date: | 2010-01-12 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | 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
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8SZS
 | | Cat DHX9 bound to GDP | | Descriptor: | 1,2-ETHANEDIOL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Lee, Y.-T, Sickmier, E.A, Boriack-Sjodin, P.A. | | Deposit date: | 2023-05-30 | | Release date: | 2023-09-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Development of assays to support identification and characterization of modulators of DExH-box helicase DHX9.
Slas Discov, 28, 2023
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8SZR
 | | Dog DHX9 bound to ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RNA helicase, ... | | Authors: | Lee, Y.-T, Sickmier, E.A, Grigoriu, S, Boriack-Sjodin, P.A. | | Deposit date: | 2023-05-30 | | Release date: | 2023-08-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | Crystal structures of the DExH-box RNA helicase DHX9.
Acta Crystallogr D Struct Biol, 79, 2023
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8SZQ
 | | Cat DHX9 bound to ADP | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Lee, Y.-T, Sickmier, E.A, Grigoriu, S, Boriack-Sjodin, P.A. | | Deposit date: | 2023-05-30 | | Release date: | 2023-08-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.711 Å) | | Cite: | Crystal structures of the DExH-box RNA helicase DHX9.
Acta Crystallogr D Struct Biol, 79, 2023
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8SZP
 | | Human DHX9 bound to ADP | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase A, ... | | Authors: | Lee, Y.-T, Sickmier, E.A, Grigoriu, S, Boriack-Sjodin, P.A. | | Deposit date: | 2023-05-30 | | Release date: | 2023-08-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Crystal structures of the DExH-box RNA helicase DHX9.
Acta Crystallogr D Struct Biol, 79, 2023
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5UYU
 | | Crystal structure of BACE1 in complex with 2-aminooxazoline-3-azaxanthene compound 12 | | Descriptor: | (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, ... | | Authors: | Whittington, D.A, Long, A.M, Sickmier, E.A. | | Deposit date: | 2017-02-24 | | Release date: | 2017-05-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 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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