Author results

5WAS
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CORYNEBACTERIUM GLUTAMICUM HYDROLYZED HOMOSERINE KINASE
Descriptor:Homoserine kinase, PHOSPHATE ION
Authors:Petit, C., Ronning, D.R.
Deposit date:2017-06-27
Release date:2018-02-07
Last modified:2018-10-31
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Reduction of Feedback Inhibition in Homoserine Kinase (ThrB) ofCorynebacterium glutamicumEnhances l-Threonine Biosynthesis.
ACS Omega, 3, 2018
5WAT
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CORYNEBACTERIUM GLUTAMICUM FULL LENGTH HOMOSERINE KINASE
Descriptor:Homoserine kinase, PHOSPHATE ION, HEXAETHYLENE GLYCOL, ...
Authors:Petit, C., Ronning, D.R.
Deposit date:2017-06-27
Release date:2018-02-07
Last modified:2018-10-31
Method:X-RAY DIFFRACTION (2.141 Å)
Cite:Reduction of Feedback Inhibition in Homoserine Kinase (ThrB) ofCorynebacterium glutamicumEnhances l-Threonine Biosynthesis.
ACS Omega, 3, 2018
5O9H
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CRYSTAL STRUCTURE OF THERMOSTABILISED HUMAN C5A ANAPHYLATOXIN CHEMOTACTIC RECEPTOR 1 (C5AR) IN COMPLEX WITH NDT9513727
Descriptor:C5a anaphylatoxin chemotactic receptor 1, 1-(1,3-benzodioxol-5-yl)-~{N}-(1,3-benzodioxol-5-ylmethyl)-~{N}-[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl]methanamine, L(+)-TARTARIC ACID, ...
Authors:Robertson, N., Rappas, M., Dore, A.S., Brown, J., Bottegoni, G., Koglin, M., Cansfield, J., Jazayeri, A., Cooke, R.M., Marshall, F.H.
Deposit date:2017-06-19
Release date:2018-01-10
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of the complement C5a receptor bound to the extra-helical antagonist NDT9513727.
Nature, 553, 2018
5TC0
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STRUCTURE-BASED OPTIMIZATION OF 1H-IMIDAZOLE-2-CARBOXAMIDES AS AXL KINASE INHIBITORS UTILIZING A MER MUTANT SURROGATE
Descriptor:Tyrosine-protein kinase Mer, N-(2-{4-[(2S)-4-(methylsulfonyl)morpholin-2-yl]-1,3-thiazol-2-yl}phenyl)-1H-imidazole-2-carboxamide
Authors:Hoffman, I.D., Lawson, J.D.
Deposit date:2016-09-13
Release date:2017-01-25
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structure-based optimization of 1H-imidazole-2-carboxamides as Axl kinase inhibitors utilizing a Mer mutant surrogate.
Bioorg. Med. Chem. Lett., 27, 2017
5TD2
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STRUCTURE-BASED OPTIMIZATION OF 1H-IMIDAZOLE-2-CARBOXAMIDES AS AXL KINASE INHIBITORS UTILIZING A MER MUTANT SURROGATE
Descriptor:Tyrosine-protein kinase Mer, N-[2-{4-[(2S)-4-(methylsulfonyl)morpholin-2-yl]-1,3-thiazol-2-yl}-4-(morpholin-4-yl)phenyl]-1H-imidazole-2-carboxamide
Authors:Hoffman, I.D., Lawson, J.D.
Deposit date:2016-09-16
Release date:2017-01-25
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structure-based optimization of 1H-imidazole-2-carboxamides as Axl kinase inhibitors utilizing a Mer mutant surrogate.
Bioorg. Med. Chem. Lett., 27, 2017
5FUN
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CRYSTAL STRUCTURE OF HUMAN JARID1B IN COMPLEX WITH GSK467
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 5B, ZINC ION, 2-[(1-benzyl-1H-pyrazol-4-yl)oxy]pyrido[3,4-d]pyrimidin-4(3H)-one, ...
Authors:Srikannathasan, V., Johansson, C., Gileadi, C., Kopec, J., von Delft, F., Arrowsmith, C.H., Bountra, C., Edwards, A., Brennan, P., Oppermann, U.
Deposit date:2016-01-28
Release date:2016-04-13
Last modified:2016-06-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
5FWJ
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CRYSTAL STRUCTURE OF HUMAN JARID1C IN COMPLEX WITH KDM5-C49
Descriptor:HISTONE DEMETHYLASE JARID1C, MAGNESIUM ION, ZINC ION, ...
Authors:Srikannathasan, V., Szykowska, A., Strain-Damerell, C., Kopec, J., Nowak, R., Gileadi, C., Johansson, C., Kupinska, K., Burgess-Brown, N.A., Shrestha, L., Dong, W., von Delft, F., Arrowsmith, C.H., Bountra, C., Edwards, A., Huber, K., Oppermann, U.
Deposit date:2016-02-17
Release date:2016-04-13
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
5FUP
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CRYSTAL STRUCTURE OF HUMAN JARID1B IN COMPLEX WITH 2-OXOGLUTARATE.
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 5B, ZINC ION, MANGANESE (II) ION, ...
Authors:Nowak, R., Srikannathasan, V., Johansson, C., Gileadi, C., Kupinska, K., Strain-Damerell, C., Szykowska, A., Talon, R., von Delft, F., Burgess-Brown, N.A., Arrowsmith, C.H., Bountra, C., Edwards, A.M., Oppermann, U.
Deposit date:2016-01-28
Release date:2016-03-23
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
5FV3
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CRYSTAL STRUCTURE OF HUMAN JARID1B CONSTRUCT C2 IN COMPLEX WITH N- OXALYLGLYCINE.
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 5B, ZINC ION, DIMETHYL SULFOXIDE, ...
Authors:Nowak, R., Srikannathasan, V., Johansson, C., Gileadi, C., Kupinska, K., Strain-Damerell, C., Szykowska, A., Talon, R., von Delft, F., Burgess-Brown, N.A., Arrowsmith, C.H., Bountra, C., Edwards, A.M., Oppermann, U.
Deposit date:2016-02-02
Release date:2016-02-17
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
5FPU
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CRYSTAL STRUCTURE OF HUMAN JARID1B IN COMPLEX WITH GSKJ1
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 5B, ZINC ION, 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, ...
Authors:Srikannathasan, V., Nowak, R., Johansson, C., Gileadi, C., von Delft, F., Arrowsmith, C.H., Bountra, C., Edwards, A., Oppermann, U.
Deposit date:2015-12-03
Release date:2016-01-13
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
5FPV
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CRYSTAL STRUCTURE OF HUMAN JMJD2A IN COMPLEX WITH COMPOUND KDOAM20A
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 4A, MANGANESE (II) ION, 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, ...
Authors:Srikannathasan, V., Gileadi, C., von Delft, F., Arrowsmith, C.H., Bountra, C., Edwards, A., Oppermann, U.
Deposit date:2015-12-03
Release date:2016-01-13
Last modified:2016-06-29
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
5A3T
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CRYSTAL STRUCTURE OF HUMAN PLU-1 (JARID1B) IN COMPLEX WITH KDM5-C49 (2-(((2-((2-(DIMETHYLAMINO)ETHYL)(ETHYL)AMINO)-2-OXOETHYL)AMINO)METHYL) ISONICOTINIC ACID).
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 5B, ZINC ION, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Srikannathasan, V., Johansson, C., Gileadi, C., Kopec, J., Strain-Damerell, C., Kupinska, K., BurgessBrown, N.A., von Delft, F., Arrowsmith, C.H., Bountra, C., Edwards, A.M., Oppermann, U.
Deposit date:2015-06-02
Release date:2015-06-17
Last modified:2016-06-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
5A3W
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CRYSTAL STRUCTURE OF HUMAN PLU-1 (JARID1B) IN COMPLEX WITH PYRIDINE-2, 6-DICARBOXYLIC ACID (PDCA)
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 5B, ZINC ION, SODIUM ION, ...
Authors:Srikannathasan, V., Johansson, C., Gileadi, C., Kopec, J., Strain-Damerell, C., Kupinska, K., Burgess-Brown, N.A., von Delft, F., Arrowsmith, C.H., Bountra, C., Edwards, A.M., Oppermann, U.
Deposit date:2015-06-03
Release date:2015-06-17
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
5A3P
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN PLU1 (JARID1B).
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 5B, ZINC ION, MANGANESE (II) ION, ...
Authors:Nowak, R., Srikannathasan, V., Johansson, C., Gileadi, C., Tallant, C., Kupinska, K., Strain-Damerell, C., Szykowska, A., von Delft, F., Burgess-Brown, N.A., Arrowsmith, C.H., Bountra, C., Edwards, A.M., Oppermann, U.
Deposit date:2015-06-02
Release date:2015-06-10
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.008 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
4PAU
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HYPOTHETICAL PROTEIN SA1058 FROM S. AUREUS.
Descriptor:Nitrogen regulatory protein A, CHLORIDE ION
Authors:Battaile, K.P., Wu-Brown, J., Romanov, V., Jones, K., Lam, R., Pai, E.F., Chirgadze, N.Y.
Deposit date:2014-04-10
Release date:2015-05-06
Last modified:2018-03-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Hypothetical protein SA1058 from S. aureus.
To Be Published
4PEO
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CRYSTAL STRUCTURE OF A HYPOTHETICAL PROTEIN FROM STAPHYLOCOCCUS AUREUS.
Descriptor:Hypothetical protein
Authors:McGrath, T.E., Kisselman, G., Romanov, V., Wu-Brown, J., Soloveychik, M., Chan, T.S.Y., Gordon, R.D., Thambipillai, D., Dharamsi, A., Mansoury, K., Battaile, K.P., Edwards, A.M., Pai, E.F., Chirgadze, N.Y.
Deposit date:2014-04-24
Release date:2015-05-06
Last modified:2015-05-13
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystal structure of a hypothetical protein from Staphylococcus aureus.
To Be Published
5A1F
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF PLU1 IN COMPLEX WITH N-OXALYLGLYCINE.
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 5B, ZINC ION, N-OXALYLGLYCINE, ...
Authors:Srikannathasan, V., Johansson, C., Strain-Damerell, C., Gileadi, C., Szykowska, A., Kupinska, K., Kopec, J., Krojer, T., Steuber, H., von Delft, F., Burgess-Brown, N.A., Arrowsmith, C.H., Bountra, C., Edwards, A.M., Oppermann, U.
Deposit date:2015-04-29
Release date:2015-05-06
Last modified:2016-06-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
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
4XKX
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CRYSTAL STRUCTURE OF BACE1 IN COMPLEX WITH 2-AMINOOXAZOLINE 3-AZAXANTHENE INHIBITOR 28
Descriptor:Beta-secretase 1, IODIDE ION, (5S)-7-(2-fluoropyridin-3-yl)-3-(2-fluoropyridin-4-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine, ...
Authors:Whittington, D.A., Long, A.M.
Deposit date:2015-01-12
Release date:2015-02-04
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Development of 2-aminooxazoline 3-azaxanthenes as orally efficacious beta-secretase inhibitors for the potential treatment of Alzheimer's disease.
Bioorg.Med.Chem.Lett., 25, 2015
4UF0
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CRYSTAL STRUCTURE OF JMJC DOMAIN OF HUMAN HISTONE DEMETHYLASE UTY IN COMPLEX WITH EPITHERAPUETIC COMPOUND 2-(((2-((2-(DIMETHYLAMINO)ETHYL) (ETHYL)AMINO)-2-OXOETHYL)AMINO)METHYL)ISONICOTINIC ACID.
Descriptor:HISTONE DEMETHYLASE UTY, FE (II) ION, 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, ...
Authors:Srikannathasan, V., Johansson, C., Gileadi, C., Tobias, K., Kopec, J., von Delft, F., Arrowsmith, C.H., Bountra, C., Edwards, A., Oppermann, U.
Deposit date:2014-12-22
Release date:2015-01-14
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
4D3E
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TETRAMER OF IPAD, MODIFIED FROM 2J0O, FITTED INTO NEGATIVE STAIN ELECTRON MICROSCOPY RECONSTRUCTION OF THE WILD TYPE TIP COMPLEX FROM THE TYPE III SECRETION SYSTEM OF SHIGELLA FLEXNERI
Descriptor:INVASIN IPAD
Authors:Cheung, M., Shen, D.-K., Makino, F., Kato, T., Roehrich, D., Martinez-Argudo, I., Walker, M.L., Murillo, I., Liu, X., Pain, M., Brown, J., Frazer, G., Mantell, J., Mina, P., Todd, T., Sessions, R.B., Namba, K., Blocker, A.J.
Deposit date:2014-10-21
Release date:2014-12-10
Last modified:2018-01-31
Method:ELECTRON MICROSCOPY (2.12 Å)
Cite:Three-Dimensional Electron Microscopy Reconstruction and Cysteine-Mediated Crosslinking Provide a Model of the T3Ss Needle Tip Complex.
Mol.Microbiol., 95, 2015
4QFG
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STRUCTURE OF AMPK IN COMPLEX WITH STAUROSPORINE INHIBITOR AND IN THE ABSENCE OF A SYNTHETIC ACTIVATOR
Descriptor:5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ...
Authors:Calabrese, M.F., Kurumbail, R.G.
Deposit date:2014-05-20
Release date:2014-08-06
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.46 Å)
Cite:Structural Basis for AMPK Activation: Natural and Synthetic Ligands Regulate Kinase Activity from Opposite Poles by Different Molecular Mechanisms.
Structure, 22, 2014
4QFR
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STRUCTURE OF AMPK IN COMPLEX WITH CL-A769662 ACTIVATOR AND STAUROSPORINE INHIBITOR
Descriptor:5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ...
Authors:Calabrese, M.F., Kurumbail, R.G.
Deposit date:2014-05-21
Release date:2014-08-06
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:Structural Basis for AMPK Activation: Natural and Synthetic Ligands Regulate Kinase Activity from Opposite Poles by Different Molecular Mechanisms.
Structure, 22, 2014
4QFS
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STRUCTURE OF AMPK IN COMPLEX WITH BR2-A769662CORE ACTIVATOR AND STAUROSPORINE INHIBITOR
Descriptor:5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ...
Authors:Calabrese, M.F., Kurumbail, R.G.
Deposit date:2014-05-21
Release date:2014-08-06
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.55 Å)
Cite:Structural Basis for AMPK Activation: Natural and Synthetic Ligands Regulate Kinase Activity from Opposite Poles by Different Molecular Mechanisms.
Structure, 22, 2014
3ZFJ
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N-TERMINAL DOMAIN OF PNEUMOCOCCAL PHTD PROTEIN WITH BOUND ZN(II)
Descriptor:PNEUMOCOCCAL HISTIDINE TRIAD PROTEIN D, ZINC ION
Authors:Bersch, B., Bougault, C., Favier, A., Gabel, F., Roux, L., Vernet, T., Durmort, C.
Deposit date:2012-12-11
Release date:2013-11-20
Last modified:2013-12-18
Method:SOLUTION NMR
Cite:New Insights Into Histidine Triad Proteins: Solution Structure of a Streptococcus Pneumoniae Phtd Domain and Zinc Transfer to Adcaii.
Plos One, 8, 2013
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