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4UV2
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STRUCTURE OF THE CURLI TRANSPORT LIPOPROTEIN CSGG IN A NON-LIPIDATED, PRE-PORE CONFORMATION
Descriptor:CURLI PRODUCTION TRANSPORT COMPONENT CSGG
Authors:Goyal, P., Krasteva, P.V., Gerven, N.V., Gubellini, F., Broeck, I.V.D., Troupiotis-Tsailaki, A., Jonckheere, W., Pehau-Arnaudet, G., Pinkner, J.S., Chapman, M.R., Hultgren, S.J., Howorka, S., Fronzes, R., Remaut, H.
Deposit date:2014-08-04
Release date:2014-09-24
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and Mechanistic Insights Into the Bacterial Amyloid Secretion Channel Csgg.
Nature, 516, 2014
4UV3
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STRUCTURE OF THE CURLI TRANSPORT LIPOPROTEIN CSGG IN ITS MEMBRANE- BOUND CONFORMATION
Descriptor:CURLI PRODUCTION ASSEMBLY/TRANSPORT COMPONENT CSGG
Authors:Goyal, P., Krasteva, P.V., Gerven, N.V., Gubellini, F., Broeck, I.V.D., Troupiotis-Tsailaki, A., Jonckheere, W., Pehau-Arnaudet, G., Pinkner, J.S., Chapman, M.R., Hultgren, S.J., Howorka, S., Fronzes, R., Remaut, H.
Deposit date:2014-08-04
Release date:2014-09-24
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (3.59 Å)
Cite:Structural and Mechanistic Insights Into the Bacterial Amyloid Secretion Channel Csgg.
Nature, 516, 2014
6FMD
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TARGETING MYELOID DIFFERENTIATION USING POTENT HUMAN DIHYDROOROTATE DEHYDROGENASE (HDHODH) INHIBITORS BASED ON 2-HYDROXYPYRAZOLO[1,5-A]PYRIDINE SCAFFOLD
Descriptor:Dihydroorotate dehydrogenase (quinone), mitochondrial, 2-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide, ...
Authors:Goyal, P., Jarva, M., Andersson, M., Lolli, M.L., Friemann, R.
Deposit date:2018-01-30
Release date:2018-07-11
Last modified:2018-08-08
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Targeting Myeloid Differentiation Using Potent 2-Hydroxypyrazolo[1,5- a]pyridine Scaffold-Based Human Dihydroorotate Dehydrogenase Inhibitors.
J. Med. Chem., 61, 2018
6I4B
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PLASMODIUM FALCIPARUM DIHYDROOROTATE DEHYDROGENASE (DHODH) CO-CRYSTALLIZED WITH 3-HYDROXY-1-METHYL-5-((3-(TRIFLUOROMETHYL)PHENOXY)METHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
Descriptor:Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, OROTIC ACID, ...
Authors:Goyal, P., Sainas, S., Pippione, A.C., Boschi, D., Al-Kadaraghi, S.
Deposit date:2018-11-09
Release date:2018-12-19
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Hydroxyazole scaffold-based Plasmodium falciparum dihydroorotate dehydrogenase inhibitors: Synthesis, biological evaluation and X-ray structural studies.
Eur J Med Chem, 163, 2018
6I55
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PLASMODIUM FALCIPARUM DIHYDROOROTATE DEHYDROGENASE (DHODH) CO-CRYSTALLIZED WITH N-(2,2-DIPHENYLETHYL)-4-HYDROXY-1,2,5-THIADIAZOLE-3-CARBOXAMIDE
Descriptor:Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, OROTIC ACID, ...
Authors:Goyal, P., Sainas, S., Pippione, A.C., Boschi, D., Al-Kadaraghi, S.
Deposit date:2018-11-12
Release date:2018-12-19
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Hydroxyazole scaffold-based Plasmodium falciparum dihydroorotate dehydrogenase inhibitors: Synthesis, biological evaluation and X-ray structural studies.
Eur J Med Chem, 163, 2018
5MUT
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CRYSTAL STRUCTURE OF POTENT HUMAN DIHYDROOROTATE DEHYDROGENASE INHIBITORS BASED ON HYDROXYLATED AZOLE SCAFFOLDS
Descriptor:Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
Authors:Goyal, P., Andersson, M., Moritzer, A.C., Sainas, S., Pippione, A.C., Boschi, D., Al-Kadaraghi, S., Lolli, M., Friemann, R.
Deposit date:2017-01-14
Release date:2017-03-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Design, synthesis, biological evaluation and X-ray structural studies of potent human dihydroorotate dehydrogenase inhibitors based on hydroxylated azole scaffolds.
Eur J Med Chem, 129, 2017
5MVC
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CRYSTAL STRUCTURE OF POTENT HUMAN DIHYDROOROTATE DEHYDROGENASE INHIBITORS BASED ON HYDROXYLATED AZOLE SCAFFOLDS
Descriptor:Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
Authors:Goyal, P., Andersson, M., Moritzer, A.C., Sainas, S., Pippione, A.C., Boschi, D., Al-Kadaraghi, S., Lolli, M., Friemann, R.
Deposit date:2017-01-16
Release date:2017-03-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Design, synthesis, biological evaluation and X-ray structural studies of potent human dihydroorotate dehydrogenase inhibitors based on hydroxylated azole scaffolds.
Eur J Med Chem, 129, 2017
5MVD
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CRYSTAL STRUCTURE OF POTENT HUMAN DIHYDROOROTATE DEHYDROGENASE INHIBITORS BASED ON HYDROXYLATED AZOLE SCAFFOLDS
Descriptor:Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
Authors:Goyal, P., Andersson, M., Moritzer, A.C., Sainas, S., Pippione, A.C., Boschi, D., Al-Kadaraghi, S., Lolli, M., Friemann, R.
Deposit date:2017-01-16
Release date:2017-03-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Design, synthesis, biological evaluation and X-ray structural studies of potent human dihydroorotate dehydrogenase inhibitors based on hydroxylated azole scaffolds.
Eur J Med Chem, 129, 2017
6F2U
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POTENT AND SELECTIVE ALDO-KETO REDUCTASE 1C3 (AKR1C3) INHIBITORS BASED ON THE BENZOISOXAZOLE MOIETY: APPLICATION OF A BIOISOSTERIC SCAFFOLD HOPPING APPROACH TO FLUFENAMIC ACID
Descriptor:Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 3-[(4-methoxyphenyl)methyl]-5-oxidanyl-~{N}-[3-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxamide
Authors:Goyal, P., Wahlgren, W.Y., Friemann, R.
Deposit date:2017-11-27
Release date:2018-04-04
Last modified:2018-04-11
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Potent and selective aldo-keto reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: application of a bioisosteric scaffold hopping approach to flufenamic acid.
Eur J Med Chem, 150, 2018
6F78
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POTENT AND SELECTIVE ALDO-KETO REDUCTASE 1C3 (AKR1C3) INHIBITORS BASED ON THE BENZOISOXAZOLE MOIETY: APPLICATION OF A BIOISOSTERIC SCAFFOLD HOPPING APPROACH TO FLUFENAMIC ACID
Descriptor:Aldo-keto reductase family 1 member C3, 4-[[3,5-bis(trifluoromethyl)phenyl]amino]-1,2-benzoxazol-3-one, CHLORIDE ION, ...
Authors:Goyal, P., Wahlgren, W.Y., Friemann, R.
Deposit date:2017-12-07
Release date:2018-04-04
Last modified:2018-04-11
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Potent and selective aldo-keto reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: application of a bioisosteric scaffold hopping approach to flufenamic acid.
Eur J Med Chem, 150, 2018
4O7K
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CRYSTAL STRUCTURE OF ONCOGENIC SUPPRESSION ACTIVITY PROTEIN - A PLASMID FERTILITY INHIBITION FACTOR
Descriptor:Protein osa, PHOSPHATE ION, CHLORIDE ION, ...
Authors:Maindola, P., Goyal, P., Arulandu, A.
Deposit date:2013-12-25
Release date:2014-11-05
Last modified:2014-12-24
Method:X-RAY DIFFRACTION (1.748 Å)
Cite:Multiple enzymatic activities of ParB/Srx superfamily mediate sexual conflict among conjugative plasmids
Nat Commun, 5, 2014
4OVB
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CRYSTAL STRUCTURE OF ONCOGENIC SUPPRESSION ACTIVITY PROTEIN - A PLASMID FERTILITY INHIBITION FACTOR, GOLD (I) CYANIDE DERIVATIVE
Descriptor:Protein osa, PHOSPHATE ION, GOLD (I) CYANIDE ION, ...
Authors:Maindola, P., Goyal, P., Arulandu, A.
Deposit date:2014-02-21
Release date:2014-11-05
Last modified:2014-12-24
Method:X-RAY DIFFRACTION (2.034 Å)
Cite:Multiple enzymatic activities of ParB/Srx superfamily mediate sexual conflict among conjugative plasmids
Nat Commun, 5, 2014
5NV9
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SUBSTRATE-BOUND OUTWARD-OPEN STATE OF A NA+-COUPLED SIALIC ACID SYMPORTER REVEALS A NOVEL NA+-SITE
Descriptor:Putative sodium:solute symporter, SODIUM ION, 5-N-ACETYL-BETA-D-NEURAMINIC ACID, ...
Authors:Wahlgren, W.Y., North, R.A., Dunevall, E., Paz, A., Goyal, P., Bisignano, P., Grabe, M., Dobson, R., Abramson, J., Ramaswamy, S., Friemann, R.
Deposit date:2017-05-03
Release date:2018-04-04
Last modified:2018-05-16
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Substrate-bound outward-open structure of a Na+-coupled sialic acid symporter reveals a new Na+site.
Nat Commun, 9, 2018
5NVA
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SUBSTRATE-BOUND OUTWARD-OPEN STATE OF A NA+-COUPLED SIALIC ACID SYMPORTER REVEALS A NOVEL NA+-SITE
Descriptor:Putative sodium:solute symporter, SODIUM ION, 5-N-ACETYL-BETA-D-NEURAMINIC ACID
Authors:Wahlgren, W.Y., North, R.A., Dunevall, E., Goyal, P., Grabe, M., Dobson, R., Abramson, J., Ramaswamy, S., Friemann, R.
Deposit date:2017-05-03
Release date:2018-04-04
Last modified:2018-05-16
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Substrate-bound outward-open structure of a Na+-coupled sialic acid symporter reveals a new Na+site.
Nat Commun, 9, 2018
5NCK
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THE CRYSTAL STRUCTURE OF N-ACETYLMANNOSAMINE KINASE IN FUSOBACTERIUM NUCLEATUM
Descriptor:N-acetylmannosamine kinase
Authors:Caing-Carlsson, R., Sharma, A., Friemann, R., Ramaswamy, S.
Deposit date:2017-03-06
Release date:2017-06-28
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Crystal structure of N-acetylmannosamine kinase from Fusobacterium nucleatum.
Acta Crystallogr F Struct Biol Commun, 73, 2017
4LHK
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STRUCTURE OF THE N-TERMINAL DOMAIN OF THE LG-FLO1 ADHESIN (N-LG-FLO1P) FROM THE YEAST SACCHAROMYCES PASTORIANUS, IN COMPLEX WITH CALCIUM AND ALPHA-1,2-MANNOBIOSE
Descriptor:Flocculin, ALPHA-D-MANNOSE, CALCIUM ION
Authors:Ielasi, F.S., Willaert, R.G.
Deposit date:2013-07-01
Release date:2014-09-24
Last modified:2016-06-08
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Molecular mechanism of flocculation self-recognition in yeast and its role in mating and survival.
MBio, 6, 2015
4LHL
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STRUCTURE OF THE N-TERMINAL DOMAIN OF THE FLO1 ADHESIN (N-FLO1P) FROM THE YEAST SACCHAROMYCES CEREVISIAE
Descriptor:Flocculation protein FLO1, SODIUM ION
Authors:Ielasi, F.S., Willaert, R.G.
Deposit date:2013-07-01
Release date:2014-09-24
Last modified:2016-06-08
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Molecular mechanism of flocculation self-recognition in yeast and its role in mating and survival.
MBio, 6, 2015
4LHN
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STRUCTURE OF THE N-TERMINAL DOMAIN OF THE FLO1 ADHESIN (N-FLO1P) FROM THE YEAST SACCHAROMYCES CEREVISIAE, IN COMPLEX WITH CALCIUM AND MANNOSE
Descriptor:Flocculation protein FLO1, ALPHA-D-MANNOSE, CALCIUM ION
Authors:Ielasi, F.S., Willaert, R.G.
Deposit date:2013-07-01
Release date:2014-09-24
Last modified:2016-06-08
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Molecular mechanism of flocculation self-recognition in yeast and its role in mating and survival.
MBio, 6, 2015