Author results

1EM0
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COMPLEX OF D(CCTAGG) WITH TETRA-[N-METHYL-PYRIDYL] PORPHYRIN
Descriptor:DNA (5'-D(*(CBR)P*CP*TP*AP*GP*G)-3'), MAGNESIUM ION, TETRA[N-METHYL-PYRIDYL] PORPHYRIN-NICKEL
Authors:Neidle, S., Sanderson, M., Bennett, M., Krah, A., Wien, F., Garman, E., McKenna, R.
Deposit date:2000-03-14
Release date:2000-08-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:A DNA-porphyrin minor-groove complex at atomic resolution: the structural consequences of porphyrin ruffling.
Proc.Natl.Acad.Sci.USA, 97, 2000
1RKB
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THE STRUCTURE OF ADRENAL GLAND PROTEIN AD-004
Descriptor:Protein AD-004, SULFATE ION, LITHIUM ION
Authors:Ren, H., Liang, Y., Bennett, M., Su, X.D.
Deposit date:2003-11-21
Release date:2005-01-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of human adenylate kinase 6: An adenylate kinase localized to the cell nucleus
Proc.Natl.Acad.Sci.Usa, 102, 2005
5OC0
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STRUCTURE OF E. COLI SUPEROXIDE OXIDASE
Descriptor:Cytochrome b561, PROTOPORPHYRIN IX CONTAINING FE, MAGNESIUM ION, ...
Authors:Lundgren, C.A.K., Sjostrand, D., Biner, O., Bennett, M., von Ballmoos, C., Hogbom, M.
Deposit date:2017-06-29
Release date:2018-06-20
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Scavenging of superoxide by a membrane-bound superoxide oxidase.
Nat. Chem. Biol., 14, 2018
1QBG
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CRYSTAL STRUCTURE OF HUMAN DT-DIAPHORASE (NAD(P)H OXIDOREDUCTASE)
Descriptor:NAD(P)H DEHYDROGENASE [QUINONE] 1, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Skelly, J.V., Sanderson, M.R., Suter, D.A., Baumann, U., Gregory, D.S., Bennett, M., Hobbs, S.M., Neidle, S.
Deposit date:1999-04-20
Release date:2000-04-24
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of human DT-diaphorase: a model for interaction with the cytotoxic prodrug 5-(aziridin-1-yl)-2,4-dinitrobenzamide (CB1954).
J.Med.Chem., 42, 1999
5MLK
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BIOTIN DEPENDENT CARBOXYLASE ACCA3 DIMER FROM MYCOBACTERIUM TUBERCULOSIS (RV3285)
Descriptor:Acetyl-COA carboxylase
Authors:Bennett, M.D., Hogbom, M.
Deposit date:2016-12-07
Release date:2017-03-08
Last modified:2017-05-17
Method:X-RAY DIFFRACTION (1.939 Å)
Cite:Crystal structure of the essential biotin-dependent carboxylase AccA3 from Mycobacterium tuberculosis.
FEBS Open Bio, 7, 2017
3TBK
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MOUSE RIG-I ATPASE DOMAIN
Descriptor:RIG-I Helicase Domain, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, 1,2-ETHANEDIOL
Authors:Civril, F., Bennett, M.D., Hopfner, K.-P.
Deposit date:2011-08-07
Release date:2011-10-26
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:The RIG-I ATPase domain structure reveals insights into ATP-dependent antiviral signalling.
Embo Rep., 12, 2011
4N5I
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CRYSTAL STRUCTURE OF A C8-C4 SN3 INHIBITED ESTERASE B FROM LACTOBACILLUS RHAMNOSIS
Descriptor:Esterase/lipase, (2R)-2,3-dibutoxypropyl (R)-octylphosphinate, ACETATE ION
Authors:Colbert, D.A., Bennett, M.D., Lun, D.J., Loo, T.S., Anderson, B.F., Norris, G.E.
Deposit date:2013-10-09
Release date:2014-04-16
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of a C8-C4 Sn3 Inhibited Esterase B from Lactobacillus Rhamnosis
TO BE PUBLISHED
3R4M
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OPTIMIZATION OF POTENT, SELECTIVE, AND ORALLY BIOAVAILABLE PYRROLODINOPYRIMIDINE-CONTAINING INHIBITORS OF HEAT SHOCK PROTEIN 90. IDENTIFICATION OF DEVELOPMENT CANDIDATE 2-AMINO-4-{4-CHLORO-2-[2-(4-FLUORO-1H-PYRAZOL-1-YL)ETHOXY]-6-METHYLPHENYL}-N-(2,2-DIFLUOROPROPYL)-5,7-DIHYDRO-6H-PYRROLO[3,4-D]PYRIMIDINE-6-CARBOXAMIDE
Descriptor:Heat shock protein HSP 90-alpha, 4-CHLORO-6-(2-METHOXYPHENYL)PYRIMIDIN-2-AMINE
Authors:Almassy, R.J.
Deposit date:2011-03-17
Release date:2011-04-27
Last modified:2012-04-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide.
J.Med.Chem., 54, 2011
3R4N
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OPTIMIZATION OF POTENT, SELECTIVE, AND ORALLY BIOAVAILABLE PYRROLODINOPYRIMIDINE-CONTAINING INHIBITORS OF HEAT SHOCK PROTEIN 90. IDENTIFICATION OF DEVELOPMENT CANDIDATE 2-AMINO-4-{4-CHLORO-2-[2-(4-FLUORO-1H-PYRAZOL-1-YL)ETHOXY]-6-METHYLPHENYL}-N-(2,2-DIFLUOROPROPYL)-5,7-DIHYDRO-6H-PYRROLO[3,4-D]PYRIMIDINE-6-CARBOXAMIDE
Descriptor:Heat shock protein HSP 90-alpha, 4-[2-chloro-6-(4,4,4-trifluorobutoxy)phenyl]-6-methylpyrimidin-2-amine
Authors:Gajiwala, K.S.
Deposit date:2011-03-17
Release date:2011-04-27
Last modified:2012-04-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide.
J.Med.Chem., 54, 2011
3R4O
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OPTIMIZATION OF POTENT, SELECTIVE, AND ORALLY BIOAVAILABLE PYRROLODINOPYRIMIDINE-CONTAINING INHIBITORS OF HEAT SHOCK PROTEIN 90. IDENTIFICATION OF DEVELOPMENT CANDIDATE 2-AMINO-4-{4-CHLORO-2-[2-(4-FLUORO-1H-PYRAZOL-1-YL)ETHOXY]-6-METHYLPHENYL}-N-(2,2-DIFLUOROPROPYL)-5,7-DIHYDRO-6H-PYRROLO[3,4-D]PYRIMIDINE-6-CARBOXAMIDE
Descriptor:Heat shock protein HSP 90-alpha, 2-amino-N-cyclobutyl-4-[2,4-dichloro-6-(4,4,4-trifluorobutoxy)phenyl]-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
Authors:Gajiwala, K.S.
Deposit date:2011-03-17
Release date:2011-04-27
Last modified:2012-04-11
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide.
J.Med.Chem., 54, 2011
3R4P
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OPTIMIZATION OF POTENT, SELECTIVE, AND ORALLY BIOAVAILABLE PYRROLODINOPYRIMIDINE-CONTAINING INHIBITORS OF HEAT SHOCK PROTEIN 90. IDENTIFICATION OF DEVELOPMENT CANDIDATE 2-AMINO-4-{4-CHLORO-2-[2-(4-FLUORO-1H-PYRAZOL-1-YL)ETHOXY]-6-METHYLPHENYL}-N-(2,2-DIFLUOROPROPYL)-5,7-DIHYDRO-6H-PYRROLO[3,4-D]PYRIMIDINE-6-CARBOXAMIDE
Descriptor:Heat shock protein HSP 90-alpha, 2-amino-4-{2,4-dichloro-6-[2-(1H-pyrazol-1-yl)ethoxy]phenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide, PHOSPHATE ION
Authors:Gajiwala, K.S.
Deposit date:2011-03-17
Release date:2011-04-27
Last modified:2012-04-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide.
J.Med.Chem., 54, 2011