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2BF9
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ANISOTROPIC REFINEMENT OF AVIAN (TURKEY) PANCREATIC POLYPEPTIDE AT 0. 99 ANGSTROMS RESOLUTION.
Descriptor:PANCREATIC HORMONE, ZINC ION
Authors:Tickle, I., Glover, I., Pitts, J., Wood, S., Blundell, T.L.
Deposit date:2004-12-06
Release date:2004-12-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Conformational Flexibility in a Small Globular Hormone. X-Ray Analysis of Avian Pancreatic Polypeptide at 0.98 Angstroms Resolution
Biopolymers, 22, 1983
2BJI
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HIGH RESOLUTION STRUCTURE OF MYO-INOSITOL MONOPHOSPHATASE, THE TARGET OF LITHIUM THERAPY
Descriptor:INOSITOL-1(OR 4)-MONOPHOSPHATASE, MAGNESIUM ION
Authors:Gill, R., Mohammed, F., Badyal, R., Coates, L., Erskine, P., Thompson, D., Cooper, J., Gore, M., Wood, S.
Deposit date:2005-02-03
Release date:2005-02-11
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:High-resolution structure of myo-inositol monophosphatase, the putative target of lithium therapy.
Acta Crystallogr. D Biol. Crystallogr., 61, 2005
1PPT
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X-RAY ANALYSIS (1.4-ANGSTROMS RESOLUTION) OF AVIAN PANCREATIC POLYPEPTIDE. SMALL GLOBULAR PROTEIN HORMONE
Descriptor:AVIAN PANCREATIC POLYPEPTIDE, ZINC ION
Authors:Blundell, T.L., Pitts, J.E., Tickle, I.J., Wood, S.P.
Deposit date:1981-01-16
Release date:1981-02-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:X-ray analysis (1. 4-A resolution) of avian pancreatic polypeptide: Small globular protein hormone.
Proc.Natl.Acad.Sci.Usa, 78, 1981
3PHV
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X-RAY ANALYSIS OF HIV-1 PROTEINASE AT 2.7 ANGSTROMS RESOLUTION CONFIRMS STRUCTURAL HOMOLOGY AMONG RETROVIRAL ENZYMES
Descriptor:UNLIGANDED HIV-1 PROTEASE
Authors:Lapatto, R., Blundell, T.L., Hemmings, A., Wilderspin, A., Wood, S.P., Danley, D.E., Geoghegan, K.F., Hawrylik, S.J., Hobart, P.M.
Deposit date:1991-11-04
Release date:1992-01-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:X-ray analysis of HIV-1 proteinase at 2.7 A resolution confirms structural homology among retroviral enzymes.
Nature, 342, 1989
5L9A
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L-THREONINE DEHYDROGENASE FROM TRYPANOSOMA BRUCEI.
Descriptor:L-threonine 3-dehydrogenase, ACETATE ION
Authors:Erskine, P.T., Cooper, J.B., Adjogatse, E., Kelly, J., Wood, S.P.
Deposit date:2016-06-09
Release date:2016-06-22
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations.
Acta Crystallogr D Struct Biol, 74, 2018
5LC1
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L-THREONINE DEHYDROGENASE FROM TRYPANOSOMA BRUCEI WITH NAD AND THE INHIBITOR PYRUVATE BOUND.
Descriptor:L-threonine 3-dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PYRUVIC ACID, ...
Authors:Erskine, P.T., Adjogatse, E., Wood, S.P., Cooper, J.B.
Deposit date:2016-06-18
Release date:2016-07-27
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations.
Acta Crystallogr D Struct Biol, 74, 2018
1G27
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CRYSTAL STRUCTURE OF E.COLI POLYPEPTIDE DEFORMYLASE COMPLEXED WITH THE INHIBITOR BB-3497
Descriptor:POLYPEPTIDE DEFORMYLASE, NICKEL (II) ION, 2-[(FORMYL-HYDROXY-AMINO)-METHYL]-HEXANOIC ACID (1-DIMETHYLCARBAMOYL-2,2-DIMETHYL-PROPYL)-AMIDE
Authors:Clements, J.M., Beckett, P., Brown, A., Catlin, C., Lobell, M., Palan, S., Thomas, W., Whittaker, M., Baker, P.J., Rodgers, H.F., Barynin, V., Rice, D.W., Hunter, M.G.
Deposit date:2000-10-17
Release date:2001-10-17
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Antibiotic activity and characterization of BB-3497, a novel peptide deformylase inhibitor.
Antimicrob.Agents Chemother., 45, 2001
1G2A
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THE CRYSTAL STRUCTURE OF E.COLI PEPTIDE DEFORMYLASE COMPLEXED WITH ACTINONIN
Descriptor:POLYPEPTIDE DEFORMYLASE, NICKEL (II) ION, ACTINONIN
Authors:Clements, J.M., Beckett, P., Brown, A., Catlin, C., Lobell, M., Palan, S., Thomas, W., Whittaker, M., Baker, P.J., Rodgers, H.F., Barynin, V., Rice, D.W., Hunter, M.G.
Deposit date:2000-10-18
Release date:2001-10-17
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Antibiotic activity and characterization of BB-3497, a novel peptide deformylase inhibitor.
Antimicrob.Agents Chemother., 45, 2001
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
Descriptor:Beta-secretase 1, IODIDE ION, 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
4DI2
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CRYSTAL STRUCTURE OF BACE1 IN COMPLEX WITH HYDROXYETHYLAMINE INHIBITOR 37
Descriptor:Beta-secretase 1, (2R)-N-{(2S,3R)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxy-1-[3-(1,3-thiazol-2-yl)phenyl]butan-2-yl}-2-methoxypropanamide, GLYCEROL
Authors:Whittington, D.A., Long, A.M.
Deposit date:2012-01-30
Release date:2012-10-10
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and synthesis of potent, orally efficacious hydroxyethylamine derived beta-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors.
J.Med.Chem., 55, 2012
4DUS
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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, IODIDE ION, GLYCEROL, ...
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
4FS4
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STRUCTURE OF BACE BOUND TO (S)-4-(3'-METHOXY-[1,1'-BIPHENYL]-3-YL)-1,4-DIMETHYL-6-OXOTETRAHYDROPYRIMIDIN-2(1H)-IMINIUM
Descriptor:Beta-secretase 1, (6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one, L(+)-TARTARIC ACID
Authors:Strickland, C., Stamford, A.
Deposit date:2012-06-26
Release date:2012-10-10
Last modified:2014-07-23
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:A Potent and Orally Efficacious, Hydroxyethylamine-Based Inhibitor of beta-Secretase.
ACS Med Chem Lett, 3, 2012
5NMI
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CYTOCHROME BC1 BOUND TO THE INHIBITOR MJM170
Descriptor:Cytochrome b-c1 complex subunit 1, mitochondrial, Cytochrome b-c1 complex subunit 2, ...
Authors:Capper, N.J., Antonyuk, S.V., Hasnain, S.S.
Deposit date:2017-04-05
Release date:2017-06-14
Last modified:2018-12-19
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:New paradigms for understanding and step changes in treating active and chronic, persistent apicomplexan infections.
Sci Rep, 6, 2016
6B8O
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WT IG-LIKE V DOMAIN WITH PHOSPHATIDYLSERINE
Descriptor:Triggering receptor expressed on myeloid cells 2, N-ACETYL-D-GLUCOSAMINE, IODIDE ION, ...
Authors:Sudom, A., Wang, Z.
Deposit date:2017-10-09
Release date:2018-06-27
Last modified:2018-08-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular basis for the loss-of-function effects of the Alzheimer's disease-associated R47H variant of the immune receptor TREM2.
J. Biol. Chem., 293, 2018
4FRI
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CRYSTAL STRUCTURE OF BACE1 IN COMPLEX WITH BIARYLSPIRO AMINOOXAZOLINE 6
Descriptor:Beta-secretase 1, IODIDE ION, (4R)-4-[3-(2-fluoropyridin-3-yl)phenyl]-4-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine, ...
Authors:Whittington, D.A., Long, A.M.
Deposit date:2012-06-26
Release date:2012-09-12
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure- and Property-Based Design of Aminooxazoline Xanthenes as Selective, Orally Efficacious, and CNS Penetrable BACE Inhibitors for the Treatment of Alzheimer's Disease.
J.Med.Chem., 55, 2012
4FRJ
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CRYSTAL STRUCTURE OF BACE1 IN COMPLEX WITH AMINOOXAZOLINE XANTHENE 9L
Descriptor:Beta-secretase 1, IODIDE ION, (4S)-2'-(5-chloro-2-fluorophenyl)-7'-methoxyspiro[1,3-oxazole-4,9'-xanthen]-2-amine, ...
Authors:Whittington, D.A., Long, A.M.
Deposit date:2012-06-26
Release date:2012-09-12
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure- and Property-Based Design of Aminooxazoline Xanthenes as Selective, Orally Efficacious, and CNS Penetrable BACE Inhibitors for the Treatment of Alzheimer's Disease.
J.Med.Chem., 55, 2012
4FRK
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CRYSTAL STRUCTURE OF BACE1 IN COMPLEX WITH AMINOOXAZOLINE XANTHENE 11A
Descriptor:Beta-secretase 1, IODIDE ION, (4S)-2'-(2-methylpropoxy)-7'-(pyrimidin-5-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine, ...
Authors:Whittington, D.A., Long, A.M.
Deposit date:2012-06-26
Release date:2012-09-12
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure- and Property-Based Design of Aminooxazoline Xanthenes as Selective, Orally Efficacious, and CNS Penetrable BACE Inhibitors for the Treatment of Alzheimer's Disease.
J.Med.Chem., 55, 2012
4O1M
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TOXOPLASMA GONDII ENOYL ACYL CARRIER PROTEIN REDUCTASE
Descriptor:Enoyl-acyl carrier reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Muench, S.P., Wilkinson, C., Prigge, S.T., Rice, D.W.
Deposit date:2013-12-16
Release date:2014-02-05
Last modified:2014-05-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:The benzimidazole based drugs show good activity against T. gondii but poor activity against its proposed enoyl reductase enzyme target
Bioorg.Med.Chem.Lett., 24, 2014
4WTU
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CRYSTAL STRUCTURE OF BACE1 IN COMPLEX WITH 2-AMINOOXAZOLINE 3-AZA-4-FLUORO-XANTHENE INHIBITOR 22
Descriptor:Beta-secretase 1, IODIDE ION, GLYCEROL, ...
Authors:Whittington, D.A., Long, A.M.
Deposit date:2014-10-30
Release date:2015-03-04
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:An Orally Available BACE1 Inhibitor That Affords Robust CNS A beta Reduction without Cardiovascular Liabilities.
Acs Med.Chem.Lett., 6, 2015
2IPH
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X-RAY STRUCTURE AT 1.75 A RESOLUTION OF A NOROVIRUS PROTEASE LINKED TO AN ACTIVE SITE DIRECTED PEPTIDE INHIBITOR
Descriptor:Thiol protease P3C, N-ACETYL-L-ALPHA-GLUTAMYL-L-PHENYLALANYL-L-GLUTAMINYL-N-[(1S)-4-AMINO-1-(2-CARBOXYETHYL)-4-OXOBUTYL]-L-LEUCINAMIDE
Authors:Hussey, R.J.
Deposit date:2006-10-12
Release date:2007-10-23
Last modified:2012-06-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A Structural Study of Norovirus 3C Protease Specificity: Binding of a Designed Active Site-Directed Peptide Inhibitor.
Biochemistry, 50, 2011
3RSV
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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
Descriptor:Beta-secretase 1, IODIDE ION, GLYCEROL, ...
Authors:Sickmier, E.A.
Deposit date:2011-05-02
Release date:2011-08-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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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STRUCTURE OF BACE-1 (BETA-SECRETASE) IN COMPLEX WITH 6-(THIOPHEN-3-YL)QUINOLIN-2-AMINE
Descriptor:Beta-secretase 1, IODIDE ION, 6-(thiophen-3-yl)quinolin-2-amine
Authors:Sickmier, E.A.
Deposit date:2011-05-02
Release date:2011-08-31
Method:X-RAY DIFFRACTION (2.48 Å)
Cite: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
3RTH
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STRUCTURE OF BACE-1 (BETA-SECRETASE) IN COMPLEX WITH 6-(2-(3,3-DIMETHYLBUT-1-YNYL)PHENYL)QUINOLIN-2-AMINE
Descriptor:Beta-secretase 1, IODIDE ION, 6-[2-(3,3-dimethylbut-1-yn-1-yl)phenyl]quinolin-2-amine
Authors:Sickmier, E.A.
Deposit date:2011-05-03
Release date:2011-08-31
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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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STRUCTURE OF BACE-1 (BETA-SECRETASE) IN COMPLEX WITH 3-(2-AMINOQUINOLIN-3-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE
Descriptor:Beta-secretase 1, IODIDE ION, GLYCEROL, ...
Authors:Sickmier, E.A.
Deposit date:2011-05-03
Release date:2011-08-31
Method:X-RAY DIFFRACTION (2.76 Å)
Cite: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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STRUCTURE OF BACE-1 (BETA-SECRETASE) IN COMPLEX WITH 3-(2-AMINO-6-O-TOLYLQUINOLIN-3-YL)-N-CYCLOHEXYLPROPANAMIDE
Descriptor:Beta-secretase 1, IODIDE ION, GLYCEROL, ...
Authors:Sickmier, E.A.
Deposit date:2011-05-03
Release date:2011-08-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
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