Author results

2FLS
  • Download 2fls
  • View 2fls
Molmil generated image of 2fls
CRYSTAL STRUCTURE OF HUMAN GLUTAREDOXIN 2 COMPLEXED WITH GLUTATHIONE
Descriptor:Glutaredoxin-2, GLUTATHIONE
Authors:Johansson, C., Smee, C., Kavanagh, K.L., Debreczeni, J., von Delft, F., Gileadi, O., Arrowsmith, C., Weigelt, J., Edwards, A., Sundstrom, M., Oppermann, U., Structural Genomics Consortium (SGC)
Deposit date:2006-01-06
Release date:2006-01-24
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of Human Glutaredoxin 2 complexed with glutathione
To be Published
2GS3
  • Download 2gs3
  • View 2gs3
Molmil generated image of 2gs3
CRYSTAL STRUCTURE OF THE SELENOCYSTEINE TO GLYCINE MUTANT OF HUMAN GLUTATHIONE PEROXIDASE 4(GPX4)
Descriptor:Phospholipid hydroperoxide glutathione peroxidase, CHLORIDE ION
Authors:Johansson, C., Kavanagh, K.L., Rojkova, A., Gileadi, O., von Delft, F., Arrowsmith, C., Weigelt, J., Sundstrom, M., Edwards, A., Oppermann, U., Structural Genomics Consortium (SGC)
Deposit date:2006-04-25
Release date:2006-05-09
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the selenocysteine to glycine mutant of human glutathione peroxidase 4(GPX4)
To be Published
2HT9
  • Download 2ht9
  • View 2ht9
Molmil generated image of 2ht9
THE STRUCTURE OF DIMERIC HUMAN GLUTAREDOXIN 2
Descriptor:Glutaredoxin-2, 12-mer peptide, GLUTATHIONE, ...
Authors:Johansson, C., Smee, C., Kavanagh, K.L., Debreczeni, J., von Delft, F., Gileadi, O., Arrowsmith, C., Weigelt, J., Edwards, A., Sundstrom, M., Oppermann, U., Structural Genomics Consortium (SGC)
Deposit date:2006-07-25
Release date:2006-08-29
Last modified:2012-12-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Reversible sequestration of active site cysteines in a 2Fe-2S-bridged dimer provides a mechanism for glutaredoxin 2 regulation in human mitochondria
J.Biol.Chem., 282, 2007
6I8B
  • Download 6i8b
  • View 6i8b
Molmil generated image of 6i8b
CRYSTAL STRUCTURE OF SPINDLIN1 IN COMPLEX WITH THE INHIBITOR VINSPININ
Descriptor:Spindlin-1, 2-[4-[2-[[2-[3-[2-azanyl-5-(cyclopropylmethoxy)-3,3-dimethyl-indol-6-yl]oxypropyl]-1,3-dihydroisoindol-5-yl]oxy]ethyl]-1,2,3-triazol-1-yl]-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone, DIMETHYL SULFOXIDE, ...
Authors:Johansson, C., Fagan, V., Brennan, P.E., Sorrell, F.J., Krojer, T., Arrowsmith, C.H., Bountra, C., Edwards, A., Oppermann, U.C.T.
Deposit date:2018-11-19
Release date:2018-12-05
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal structure of Spindlin1 in complex with the inhibitor VinSpinIn
To Be Published
6I8L
  • Download 6i8l
  • View 6i8l
Molmil generated image of 6i8l
CRYSTAL STRUCTURE OF SPINDLIN1 IN COMPLEX WITH THE INHIBITOR TD001851A
Descriptor:Spindlin-1, (4S)-2-METHYL-2,4-PENTANEDIOL, (4R)-2-METHYLPENTANE-2,4-DIOL, ...
Authors:Johansson, C., Fagan, V., Brennan, P.E., Sorrell, F.J., Krojer, T., Arrowsmith, C.H., Bountra, C., Edwards, A., Oppermann, U.C.T.
Deposit date:2018-11-20
Release date:2018-12-05
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal structure of Spindlin1 in complex with the inhibitor TD001851a
To Be Published
1BOC
  • Download 1boc
  • View 1boc
Molmil generated image of 1boc
THE SOLUTION STRUCTURES OF MUTANT CALBINDIN D9K'S, AS DETERMINED BY NMR, SHOW THAT THE CALCIUM BINDING SITE CAN ADOPT DIFFERENT FOLDS
Descriptor:CALBINDIN D9K
Authors:Johansson, C., Ullner, M., Drakenberg, T.
Deposit date:1993-04-23
Release date:1993-10-31
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:The solution structures of mutant calbindin D9k's, as determined by NMR, show that the calcium-binding site can adopt different folds.
Biochemistry, 32, 1993
1BOD
  • Download 1bod
  • View 1bod
Molmil generated image of 1bod
THE SOLUTION STRUCTURES OF MUTANT CALBINDIN D9K'S, AS DETERMINED BY NMR, SHOW THAT THE CALCIUM BINDING SITE CAN ADOPT DIFFERENT FOLDS
Descriptor:CALBINDIN D9K
Authors:Johansson, C., Ullner, M., Drakenberg, T.
Deposit date:1993-04-23
Release date:1993-10-31
Last modified:2013-05-01
Method:SOLUTION NMR
Cite:The solution structures of mutant calbindin D9k's, as determined by NMR, show that the calcium-binding site can adopt different folds.
Biochemistry, 32, 1993
1RKJ
  • Download 1rkj
  • View 1rkj
Molmil generated image of 1rkj
SOLUTION STRUCTURE OF THE COMPLEX FORMED BY THE TWO N-TERMINAL RNA-BINDING DOMAINS OF NUCLEOLIN AND A PRE-RRNA TARGET
Descriptor:5'-R(*GP*GP*AP*UP*GP*CP*CP*UP*CP*CP*CP*GP*AP*GP*UP*GP*CP*AP*UP*CP*C)-3', Nucleolin
Authors:Johansson, C., Finger, L.D., Trantirek, L., Mueller, T.D., Kim, S., Laird-Offringa, I.A., Feigon, J.
Deposit date:2003-11-21
Release date:2004-04-27
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of the complex formed by the two N-terminal RNA-binding domains of nucleolin and a pre-rRNA target.
J.Mol.Biol., 337, 2004
4UF0
  • Download 4uf0
  • View 4uf0
Molmil generated image of 4uf0
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
5A1F
  • Download 5a1f
  • View 5a1f
Molmil generated image of 5a1f
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
5A3P
  • Download 5a3p
  • View 5a3p
Molmil generated image of 5a3p
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
5A3T
  • Download 5a3t
  • View 5a3t
Molmil generated image of 5a3t
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
  • Download 5a3w
  • View 5a3w
Molmil generated image of 5a3w
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
5FPU
  • Download 5fpu
  • View 5fpu
Molmil generated image of 5fpu
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
5FUN
  • Download 5fun
  • View 5fun
Molmil generated image of 5fun
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
5FUP
  • Download 5fup
  • View 5fup
Molmil generated image of 5fup
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
  • Download 5fv3
  • View 5fv3
Molmil generated image of 5fv3
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
5FWJ
  • Download 5fwj
  • View 5fwj
Molmil generated image of 5fwj
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
2WUL
  • Download 2wul
  • View 2wul
Molmil generated image of 2wul
CRYSTAL STRUCTURE OF THE HUMAN GLUTAREDOXIN 5 WITH BOUND GLUTATHIONE IN AN FES CLUSTER
Descriptor:GLUTAREDOXIN RELATED PROTEIN 5, GLUTATHIONE, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Roos, A.K., Johansson, C., Guo, K., Yue, W.W., Pike, A.C.W., Cooper, C.D.O., Pilka, E.S., Kavanagh, K.L., Chaikuad, A., von Delft, F., Arrowsmith, C.H., Weigelt, J., Edwards, A., Bountra, C., Oppermann, U.
Deposit date:2009-10-06
Release date:2009-10-20
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Crystal Structure of Human Glrx5: Iron Sulphur Cluster Coordination, Tetrameric Assembly and Monomer Activity.
Biochem.J., 433, 2011
6QPL
  • Download 6qpl
  • View 6qpl
Molmil generated image of 6qpl
CRYSTAL STRUCTURE OF SPINDLIN1 IN COMPLEX WITH THE INHIBITOR MS31
Descriptor:Spindlin-1, (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Johansson, C., Krojer, T., Xiong, Y., Jin, J., Arrowsmith, C.H., Bountra, C., Edwards, A., Oppermann, U.C.T.
Deposit date:2019-02-14
Release date:2019-07-17
Last modified:2019-11-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of a Potent and Selective Fragment-like Inhibitor of Methyllysine Reader Protein Spindlin 1 (SPIN1).
J.Med.Chem., 62, 2019
1ZSY
  • Download 1zsy
  • View 1zsy
Molmil generated image of 1zsy
THE STRUCTURE OF HUMAN MITOCHONDRIAL 2-ENOYL THIOESTER REDUCTASE (CGI-63)
Descriptor:MITOCHONDRIAL 2-ENOYL THIOESTER REDUCTASE, SULFATE ION, GLYCEROL
Authors:Lukacik, P., Shafqat, N., Kavanagh, K.L., Johansson, C., Smee, C., Edwards, A., Arrowsmith, C., Sundstrom, M., von Delft, F., Oppermann, U., Structural Genomics Consortium (SGC)
Deposit date:2005-05-25
Release date:2005-06-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The structure of human mitochondrial 2-enoyl thioester reductase (CGI-63)
To be Published
2C46
  • Download 2c46
  • View 2c46
Molmil generated image of 2c46
CRYSTAL STRUCTURE OF THE HUMAN RNA GUANYLYLTRANSFERASE AND 5'- PHOSPHATASE
Descriptor:MRNA CAPPING ENZYME
Authors:Debreczeni, J., Johansson, C., Longman, E., Gileadi, O., SavitskySmee, P., Smee, C., Bunkoczi, G., Ugochukwu, E., von Delft, F., Sundstrom, M., Weigelt, J., Arrowsmith, C., Edwards, A., Knapp, S.
Deposit date:2005-10-15
Release date:2005-11-01
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of the Human RNA Guanylyltransferase and 5'-Phosphatase
To be Published
2F5Y
  • Download 2f5y
  • View 2f5y
Molmil generated image of 2f5y
CRYSTAL STRUCTURE OF THE PDZ DOMAIN FROM HUMAN RGS-3
Descriptor:regulator of G-protein signalling 3 isoform 1, SULFATE ION
Authors:Ugochukwu, E., Berridge, G., Johansson, C., Smee, C., Savitsky, P., Burgess, N., Colebrook, S., Yang, X., Elkins, J., Doyle, D., Turnbull, A., Papagrigoriou, E., Debreczeni, J., Bunkoczi, G., Gorrec, F., von Delft, F., Arrowsmith, C., Sundstrom, M., Weigelt, J., Edwards, A., Structural Genomics Consortium (SGC)
Deposit date:2005-11-28
Release date:2005-12-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Crystal Structure of the PDZ Domain from Human RGS-3
To be Published
2FV8
  • Download 2fv8
  • View 2fv8
Molmil generated image of 2fv8
THE CRYSTAL STRUCTURE OF RHOB IN THE GDP-BOUND STATE
Descriptor:Rho-related GTP-binding protein RhoB, GUANOSINE-5'-DIPHOSPHATE
Authors:Turnbull, A.P., Soundararajan, M., Smee, C., Johansson, C., Schoch, G., Gorrec, F., Bray, J., Papagrigoriou, E., von Delft, F., Weigelt, J., Edwards, A., Arrowsmith, C., Sundstrom, M., Doyle, D., Structural Genomics Consortium (SGC)
Deposit date:2006-01-30
Release date:2006-02-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of RhoB in the GDP-bound state
To be Published
2IIK
  • Download 2iik
  • View 2iik
Molmil generated image of 2iik
CRYSTAL STRUCTURE OF HUMAN PEROXISOMAL ACETYL-COA ACYL TRANSFERASE 1 (ACAA1)
Descriptor:3-ketoacyl-CoA thiolase, peroxisomal
Authors:Papagrigoriou, E., Johansson, C., Smee, C., Kavanagh, K., Pike, A.C.W., Sundstrom, M., Weigelt, J., Edwards, A., Arrowsmith, C.H., Gileadi, O., Gorrec, F., Umeano, C., von Delft, F., Oppermann, U., Structural Genomics Consortium (SGC)
Deposit date:2006-09-28
Release date:2006-10-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal Structure of human peroxisomal acetyl-CoA acyl transferase 1 (ACAA1)
TO BE PUBLISHED