Author results

3HHL
  • Download 3hhl
  • View 3hhl
Molmil generated image of 3hhl
CRYSTAL STRUCTURE OF METHYLATED RPA0582 PROTEIN
Descriptor:RPA0582, SULFATE ION, CHLORIDE ION, ...
Authors:Sledz, P., Niedzialkowska, E., Chruszcz, M., Porebski, P., Yim, V., Kudritska, M., Zimmerman, M.D., Evdokimova, E., Savchenko, A., Edwards, A., Joachimiak, A., Minor, W., Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-05-15
Release date:2009-07-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal structure of methylated RPA0582 protein
To be Published
3DCA
  • Download 3dca
  • View 3dca
Molmil generated image of 3dca
CRYSTAL STRUCTURE OF THE RPA0582- PROTEIN OF UNKNOWN FUNCTION FROM RHODOPSEUDOMONAS PALUSTRIS- A STRUCTURAL GENOMICS TARGET
Descriptor:RPA0582, SULFATE ION
Authors:Sledz, P., Wang, S., Chruszcz, M., Yim, V., Kudritska, M., Evdokimova, E., Turk, D., Savchenko, A., Edwards, A., Joachimiak, A., Minor, W., Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-06-03
Release date:2008-08-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Crystal structure of the RPA0582- protein of unknown function from Rhodopseudomonas palustris- a structural genomics target
To be Published
3P2W
  • Download 3p2w
  • View 3p2w
Molmil generated image of 3p2w
UNLIGANDED FORM OF POLO-LIKE KINASE I POLO-BOX DOMAIN
Descriptor:Serine/threonine-protein kinase PLK1, SULFATE ION, GLYCEROL
Authors:Sledz, P., Hyvonen, M., Abell, C.
Deposit date:2010-10-04
Release date:2011-04-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1
Angew.Chem.Int.Ed.Engl., 50, 2011
3P2Z
  • Download 3p2z
  • View 3p2z
Molmil generated image of 3p2z
POLO-LIKE KINASE I POLO-BOX DOMAIN IN COMPLEX WITH PLHSPTA PHOSPHOPEPTIDE FROM PBIP1
Descriptor:Serine/threonine-protein kinase PLK1, phosphopeptide, GLYCEROL
Authors:Sledz, P., Stubbs, C.J., Hyvonen, M., Abell, C.
Deposit date:2010-10-04
Release date:2011-04-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1
Angew.Chem.Int.Ed.Engl., 50, 2011
3P34
  • Download 3p34
  • View 3p34
Molmil generated image of 3p34
POLO-LIKE KINASE I POLO-BOX DOMAIN IN COMPLEX WITH MQSPTPL PHOSPHOPEPTIDE
Descriptor:Serine/threonine-protein kinase PLK1, phosphopeptide, SULFATE ION, ...
Authors:Sledz, P., Hyvonen, M., Abell, C.
Deposit date:2010-10-04
Release date:2011-04-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1
Angew.Chem.Int.Ed.Engl., 50, 2011
3P35
  • Download 3p35
  • View 3p35
Molmil generated image of 3p35
POLO-LIKE KINASE I POLO-BOX DOMAIN IN COMPLEX WITH MQSPSPL PHOSPHOPEPTIDE
Descriptor:Serine/threonine-protein kinase PLK1, phosphopeptide, GLYCEROL
Authors:Sledz, P., Hyvonen, M., Abell, C.
Deposit date:2010-10-04
Release date:2011-04-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1
Angew.Chem.Int.Ed.Engl., 50, 2011
3P36
  • Download 3p36
  • View 3p36
Molmil generated image of 3p36
POLO-LIKE KINASE I POLO-BOX DOMAIN IN COMPLEX WITH DPPLHSPTA PHOSPHOPEPTIDE FROM PBIP1
Descriptor:Serine/threonine-protein kinase PLK1, phosphopeptide, GLYCEROL, ...
Authors:Sledz, P., Stubbs, C.J., Hyvonen, M., Abell, C.
Deposit date:2010-10-04
Release date:2011-04-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1
Angew.Chem.Int.Ed.Engl., 50, 2011
3P37
  • Download 3p37
  • View 3p37
Molmil generated image of 3p37
POLO-LIKE KINASE I POLO-BOX DOMAIN IN COMPLEX WITH FDPPLHSPTA PHOSPHOPEPTIDE FROM PBIP1
Descriptor:Serine/threonine-protein kinase PLK1, phosphopeptide, GLYCEROL
Authors:Sledz, P., Hyvonen, M., Abell, C.
Deposit date:2010-10-04
Release date:2011-04-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1
Angew.Chem.Int.Ed.Engl., 50, 2011
3Q1I
  • Download 3q1i
  • View 3q1i
Molmil generated image of 3q1i
POLO-LIKE KINASE I POLO-BOX DOMAIN IN COMPLEX WITH FMPPPMSPSM PHOSPHOPEPTIDE FROM TCERG1
Descriptor:Serine/threonine-protein kinase PLK1, peptide from Transcription elongation regulator 1, PENTAETHYLENE GLYCOL, ...
Authors:Sledz, P., Hyvonen, M., Abell, C.
Deposit date:2010-12-17
Release date:2011-04-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1
Angew.Chem.Int.Ed.Engl., 50, 2011
4E9C
  • Download 4e9c
  • View 4e9c
Molmil generated image of 4e9c
THE STRUCTURE OF THE POLO-BOX DOMAIN (PBD) OF POLO-LIKE KINASE 1 (PLK1) IN COMPLEX WITH LDPPLHSPTA PHOSPHOPEPTIDE
Descriptor:Serine/threonine-protein kinase PLK1, LDPPLHSpTA phosphopeptide, 2-(2-METHOXYETHOXY)ETHANOL, ...
Authors:Sledz, P., Hyvonen, M., Lang, S., Stubbs, C.J., Abell, C.
Deposit date:2012-03-21
Release date:2012-10-10
Last modified:2018-12-05
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:High-throughput interrogation of ligand binding mode using a fluorescence-based assay.
Angew. Chem. Int. Ed. Engl., 51, 2012
5L6D
  • Download 5l6d
  • View 5l6d
Molmil generated image of 5l6d
CRYSTAL STRUCTURE OF THE HUMAN METTL3-METTL14 COMPLEX BOUND TO SAH
Descriptor:N6-adenosine-methyltransferase 70 kDa subunit, N6-adenosine-methyltransferase subunit METTL14, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Sledz, P., Jinek, M.
Deposit date:2016-05-29
Release date:2016-10-12
Method:X-RAY DIFFRACTION (1.852 Å)
Cite:Structural insights into the molecular mechanism of the m(6)A writer complex.
Elife, 5, 2016
5L6E
  • Download 5l6e
  • View 5l6e
Molmil generated image of 5l6e
CRYSTAL STRUCTURE OF THE HUMAN METTL3-METTL14 COMPLEX BOUND TO SAM
Descriptor:N6-adenosine-methyltransferase 70 kDa subunit, N6-adenosine-methyltransferase subunit METTL14, S-ADENOSYLMETHIONINE, ...
Authors:Sledz, P., Jinek, M.
Deposit date:2016-05-29
Release date:2016-10-12
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Structural insights into the molecular mechanism of the m(6)A writer complex.
Elife, 5, 2016
6EPJ
  • Download 6epj
  • View 6epj
Molmil generated image of 6epj
THE ATAD2 BROMODOMAIN IN COMPLEX WITH COMPOUND 6
Descriptor:ATPase family AAA domain-containing protein 2, (2~{R})-2-azanyl-~{N}-[4-ethanoyl-5-(3-hydroxyphenyl)-1,3-thiazol-2-yl]propanamide, SULFATE ION
Authors:Sledz, P., Caflisch, A.
Deposit date:2017-10-11
Release date:2018-10-31
Method:X-RAY DIFFRACTION (1.652 Å)
Cite:The ATAD2 bromodomain in complex with compound 6
To Be Published
6EPR
  • Download 6epr
  • View 6epr
Molmil generated image of 6epr
THE ATAD2 BROMODOMAIN IN COMPLEX WITH COMPOUND UZH-DS15
Descriptor:ATPase family AAA domain-containing protein 2, (~{N}~{Z},2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-3~{H}-1,3-thiazol-2-ylidene]-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]piperazine-2-carboxamide, SULFATE ION
Authors:Sledz, P., Caflisch, A.
Deposit date:2017-10-12
Release date:2018-10-31
Method:X-RAY DIFFRACTION (2.053 Å)
Cite:The ATAD2 bromodomain in complex with compound UZH-DS15
To Be Published
6EPS
  • Download 6eps
  • View 6eps
Molmil generated image of 6eps
THE ATAD2 BROMODOMAIN IN COMPLEX WITH COMPOUND UZH-DQ41
Descriptor:ATPase family AAA domain-containing protein 2, (2~{R})-~{N}-[5-[3,5-bis(oxidanyl)phenyl]-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide, SULFATE ION
Authors:Sledz, P., Caflisch, A.
Deposit date:2017-10-12
Release date:2018-10-31
Method:X-RAY DIFFRACTION (2.081 Å)
Cite:The ATAD2 bromodomain in complex with compound UZH-DQ41
To Be Published
6EPT
  • Download 6ept
  • View 6ept
Molmil generated image of 6ept
THE ATAD2 BROMODOMAIN IN COMPLEX WITH COMPOUND 12
Descriptor:ATPase family AAA domain-containing protein 2, SULFATE ION, (2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide, ...
Authors:Sledz, P., Caflisch, A.
Deposit date:2017-10-12
Release date:2018-10-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The ATAD2 bromodomain in complex with compound 12
To Be Published
6EPU
  • Download 6epu
  • View 6epu
Molmil generated image of 6epu
THE ATAD2 BROMODOMAIN IN COMPLEX WITH COMPOUND 2
Descriptor:ATPase family AAA domain-containing protein 2, SULFATE ION, (2~{S})-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide
Authors:Sledz, P., Caflisch, A.
Deposit date:2017-10-12
Release date:2018-10-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The ATAD2 bromodomain in complex with compound 2
To Be Published
6EPV
  • Download 6epv
  • View 6epv
Molmil generated image of 6epv
THE ATAD2 BROMODOMAIN IN COMPLEX WITH COMPOUND 5
Descriptor:ATPase family AAA domain-containing protein 2, SULFATE ION, (2~{R})-2-azanyl-~{N}-(4-oxidanylidene-6,7-dihydro-5~{H}-1,3-benzothiazol-2-yl)propanamide
Authors:Sledz, P., Caflisch, A.
Deposit date:2017-10-12
Release date:2018-10-31
Method:X-RAY DIFFRACTION (1.793 Å)
Cite:The ATAD2 bromodomain in complex with compound 5
To Be Published
6EPW
  • Download 6epw
  • View 6epw
Molmil generated image of 6epw
THE ATAD2 BROMODOMAIN IN COMPLEX WITH COMPOUND UZH-DU32
Descriptor:ATPase family AAA domain-containing protein 2, (2~{R})-~{N}-[5-[3,5-bis(oxidanyl)phenyl]-4-ethanoyl-1,3-thiazol-2-yl]-2-carbamimidamido-propanamide, SULFATE ION
Authors:Sledz, P., Caflisch, A.
Deposit date:2017-10-12
Release date:2018-10-31
Method:X-RAY DIFFRACTION (1.924 Å)
Cite:The ATAD2 bromodomain in complex with compound UZH-DU32
To Be Published
6EPX
  • Download 6epx
  • View 6epx
Molmil generated image of 6epx
THE ATAD2 BROMODOMAIN IN COMPLEX WITH COMPOUND 3
Descriptor:ATPase family AAA domain-containing protein 2, (2~{R})-2-carbamimidamido-~{N}-(4-ethanoyl-1,3-thiazolidin-2-yl)propanamide, SULFATE ION
Authors:Sledz, P., Caflisch, A.
Deposit date:2017-10-12
Release date:2018-10-31
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:The ATAD2 bromodomain in complex with compound 3
To Be Published
3LE8
  • Download 3le8
  • View 3le8
Molmil generated image of 3le8
CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS PANTOTHENATE SYNTHETASE AT 1.70 ANGSTROM RESOLUTION IN COMPLEX WITH 2-(2-((BENZOFURAN-2-CARBOXAMIDO)METHYL)-5-METHOXY-1H-INDOL-1-YL)ACETIC ACID
Descriptor:Pantothenate synthetase, 2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1H-indol-1-yl)acetic acid, 1,2-ETHANEDIOL, ...
Authors:Silvestre, H.L., Hung, A.W., Sledz, P., Ciulli, A., Blundell, T.L., Abell, C.
Deposit date:2010-01-14
Release date:2010-04-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Optimization of the interligand overhauser effect for fragment linking: application to inhibitor discovery against Mycobacterium tuberculosis pantothenate synthetase.
J.Am.Chem.Soc., 132, 2010
4E67
  • Download 4e67
  • View 4e67
Molmil generated image of 4e67
THE STRUCTURE OF THE POLO-BOX DOMAIN (PBD) OF POLO-LIKE KINASE 1 (PLK1) IN COMPLEX WITH HYDROCINNAMOYL-DERIVATIZED PLHSPTA PEPTIDE
Descriptor:Serine/threonine-protein kinase PLK1, hydrocinnamoyl-derivatized PLHSpTA peptide
Authors:Sledz, P., Hyvonen, M., Tan, Y.S., Lang, S., Spring, D., Abell, C., Best, R.B.
Deposit date:2012-03-15
Release date:2012-10-10
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Using ligand-mapping simulations to design a ligand selectively targeting a cryptic surface pocket of polo-like kinase 1.
Angew.Chem.Int.Ed.Engl., 51, 2012
2V1V
  • Download 2v1v
  • View 2v1v
Molmil generated image of 2v1v
3D STRUCTURE OF THE M8L MUTANT OF SQUASH TRYPSIN INHIBITOR CMTI-I
Descriptor:TRYPSIN INHIBITOR 1
Authors:Sledz, P., Bolewska, K., Bierzynski, A., Zhukov, I.
Deposit date:2007-05-30
Release date:2007-06-19
Last modified:2018-10-24
Method:SOLUTION NMR
Cite:Conservative Mutation met8Leu Affects the Folding Process and Structural Stability of Squash Trypsin Inhibitor Cmti-I
Protein Sci., 9, 2000
6EQ2
  • Download 6eq2
  • View 6eq2
Molmil generated image of 6eq2
MTH1 IN COMPLEX WITH FRAGMENT 6
Descriptor:7,8-dihydro-8-oxoguanine triphosphatase, 1~{H}-imidazo[4,5-b]pyridin-2-amine
Authors:Wiedmer, L., Sledz, P., Caflisch, A.
Deposit date:2017-10-12
Release date:2018-10-31
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Ligand retargeting by binding site analogy.
Eur.J.Med.Chem., 175, 2019
6EQ3
  • Download 6eq3
  • View 6eq3
Molmil generated image of 6eq3
MTH1 IN COMPLEX WITH FRAGMENT 9
Descriptor:7,8-dihydro-8-oxoguanine triphosphatase, [2-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-4-yl]methanol, SULFATE ION
Authors:Wiedmer, L., Sledz, P., Caflisch, A.
Deposit date:2017-10-12
Release date:2018-10-31
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Ligand retargeting by binding site analogy.
Eur.J.Med.Chem., 175, 2019