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3HHL
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BU of 3hhl by Molmil
Crystal structure of methylated RPA0582 protein
Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
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:2023-11-22
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal structure of methylated RPA0582 protein
To be Published
3DCA
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BU of 3dca by Molmil
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:2022-04-13
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
5L6D
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BU of 5l6d by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to SAH
Descriptor: ACETATE ION, MAGNESIUM ION, N6-adenosine-methyltransferase 70 kDa subunit, ...
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
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BU of 5l6e by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to SAM
Descriptor: ACETATE ION, MAGNESIUM ION, N6-adenosine-methyltransferase 70 kDa subunit, ...
Authors:Sledz, P, Jinek, M.
Deposit date:2016-05-29
Release date:2016-10-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Structural insights into the molecular mechanism of the m(6)A writer complex.
Elife, 5, 2016
3P2Z
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BU of 3p2z by Molmil
Polo-like kinase I Polo-box domain in complex with PLHSpTA phosphopeptide from PBIP1
Descriptor: GLYCEROL, Serine/threonine-protein kinase PLK1, phosphopeptide
Authors:Sledz, P, Stubbs, C.J, Hyvonen, M, Abell, C.
Deposit date:2010-10-04
Release date:2011-04-27
Last modified:2023-11-01
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
3P36
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BU of 3p36 by Molmil
Polo-like kinase I Polo-box domain in complex with DPPLHSpTA phosphopeptide from PBIP1
Descriptor: GLYCEROL, PHOSPHATE ION, Serine/threonine-protein kinase PLK1, ...
Authors:Sledz, P, Stubbs, C.J, Hyvonen, M, Abell, C.
Deposit date:2010-10-04
Release date:2011-04-27
Last modified:2023-11-01
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
3P2W
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BU of 3p2w by Molmil
Unliganded form of Polo-like kinase I Polo-box domain
Descriptor: GLYCEROL, SULFATE ION, Serine/threonine-protein kinase PLK1
Authors:Sledz, P, Hyvonen, M, Abell, C.
Deposit date:2010-10-04
Release date:2011-04-27
Last modified:2023-11-01
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
3P34
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BU of 3p34 by Molmil
Polo-like kinase I Polo-box domain in complex with MQSpTPL phosphopeptide
Descriptor: GLYCEROL, SULFATE ION, Serine/threonine-protein kinase PLK1, ...
Authors:Sledz, P, Hyvonen, M, Abell, C.
Deposit date:2010-10-04
Release date:2011-04-27
Last modified:2023-11-01
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
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BU of 3p35 by Molmil
Polo-like kinase I Polo-box domain in complex with MQSpSPL phosphopeptide
Descriptor: GLYCEROL, Serine/threonine-protein kinase PLK1, phosphopeptide
Authors:Sledz, P, Hyvonen, M, Abell, C.
Deposit date:2010-10-04
Release date:2011-04-27
Last modified:2023-11-01
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
3P37
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BU of 3p37 by Molmil
Polo-like kinase I Polo-box domain in complex with FDPPLHSpTA phosphopeptide from PBIP1
Descriptor: GLYCEROL, Serine/threonine-protein kinase PLK1, phosphopeptide
Authors:Sledz, P, Hyvonen, M, Abell, C.
Deposit date:2010-10-04
Release date:2011-04-27
Last modified:2023-11-01
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
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BU of 3q1i by Molmil
Polo-like kinase I Polo-box domain in complex with FMPPPMSpSM phosphopeptide from TCERG1
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ...
Authors:Sledz, P, Hyvonen, M, Abell, C.
Deposit date:2010-12-17
Release date:2011-04-27
Last modified:2023-11-01
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
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BU of 4e9c by Molmil
The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with LDPPLHSpTA phosphopeptide
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, GLYCEROL, LDPPLHSpTA phosphopeptide, ...
Authors:Sledz, P, Hyvonen, M, Lang, S, Stubbs, C.J, Abell, C.
Deposit date:2012-03-21
Release date:2012-10-10
Last modified:2023-09-13
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
6EPR
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BU of 6epr by Molmil
The ATAD2 bromodomain in complex with compound UZH-DS15
Descriptor: (~{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, ATPase family AAA domain-containing protein 2, SULFATE ION
Authors:Sledz, P, Caflisch, A.
Deposit date:2017-10-12
Release date:2018-10-31
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (2.053 Å)
Cite:Hitting a moving target: simulation and crystallography study of ATAD2 bromodomain blockers
To Be Published
6EPW
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BU of 6epw by Molmil
The ATAD2 bromodomain in complex with compound UZH-DU32
Descriptor: (2~{R})-~{N}-[5-[3,5-bis(oxidanyl)phenyl]-4-ethanoyl-1,3-thiazol-2-yl]-2-carbamimidamido-propanamide, ATPase family AAA domain-containing protein 2, SULFATE ION
Authors:Sledz, P, Caflisch, A.
Deposit date:2017-10-12
Release date:2018-10-31
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (1.924 Å)
Cite:Hitting a moving target: simulation and crystallography study of ATAD2 bromodomain blockers
To Be Published
6EPS
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BU of 6eps by Molmil
The ATAD2 bromodomain in complex with compound UZH-DQ41
Descriptor: (2~{R})-~{N}-[5-[3,5-bis(oxidanyl)phenyl]-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide, ATPase family AAA domain-containing protein 2, SULFATE ION
Authors:Sledz, P, Caflisch, A.
Deposit date:2017-10-12
Release date:2018-10-31
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (2.081 Å)
Cite:Hitting a moving target: simulation and crystallography study of ATAD2 bromodomain blockers
To Be Published
3LE8
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BU of 3le8 by Molmil
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: 1,2-ETHANEDIOL, 2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1H-indol-1-yl)acetic acid, ETHANOL, ...
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:2023-09-06
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
2V1V
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BU of 2v1v by Molmil
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:2019-10-09
Method:SOLUTION NMR
Cite:Conservative mutation Met8 --> Leu affects the folding process and structural stability of squash trypsin inhibitor CMTI-I.
Protein Sci., 9, 2000
4E67
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BU of 4e67 by Molmil
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:2023-09-13
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
6EPT
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BU of 6ept by Molmil
The ATAD2 bromodomain in complex with compound 12
Descriptor: (2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide, (2~{S})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide, ATPase family AAA domain-containing protein 2, ...
Authors:Sledz, P, Caflisch, A.
Deposit date:2017-10-12
Release date:2018-10-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
6EPJ
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BU of 6epj by Molmil
The ATAD2 bromodomain in complex with compound 6
Descriptor: (2~{R})-2-azanyl-~{N}-[4-ethanoyl-5-(3-hydroxyphenyl)-1,3-thiazol-2-yl]propanamide, ATPase family AAA domain-containing protein 2, SULFATE ION
Authors:Sledz, P, Caflisch, A.
Deposit date:2017-10-11
Release date:2018-10-31
Last modified:2020-11-04
Method:X-RAY DIFFRACTION (1.652 Å)
Cite:Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
6EPV
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BU of 6epv by Molmil
The ATAD2 bromodomain in complex with compound 5
Descriptor: (2~{R})-2-azanyl-~{N}-(4-oxidanylidene-6,7-dihydro-5~{H}-1,3-benzothiazol-2-yl)propanamide, ATPase family AAA domain-containing protein 2, SULFATE ION
Authors:Sledz, P, Caflisch, A.
Deposit date:2017-10-12
Release date:2018-10-31
Last modified:2020-11-04
Method:X-RAY DIFFRACTION (1.793 Å)
Cite:Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
6EPX
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BU of 6epx by Molmil
The ATAD2 bromodomain in complex with compound 3
Descriptor: (2~{R})-2-carbamimidamido-~{N}-(4-ethanoyl-1,3-thiazolidin-2-yl)propanamide, ATPase family AAA domain-containing protein 2, SULFATE ION
Authors:Sledz, P, Caflisch, A.
Deposit date:2017-10-12
Release date:2018-10-31
Last modified:2020-11-04
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
6EPU
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BU of 6epu by Molmil
The ATAD2 bromodomain in complex with compound 2
Descriptor: (2~{S})-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide, ATPase family AAA domain-containing protein 2, SULFATE ION
Authors:Sledz, P, Caflisch, A.
Deposit date:2017-10-12
Release date:2018-10-31
Last modified:2020-11-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
6HIE
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BU of 6hie by Molmil
The ATAD2 bromodomain in complex with compound 17
Descriptor: (2~{R})-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide, ATPase family AAA domain-containing protein 2, SULFATE ION
Authors:Sledz, P, Caflisch, A.
Deposit date:2018-08-29
Release date:2019-02-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
6HI4
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BU of 6hi4 by Molmil
The ATAD2 bromodomain in complex with compound 7
Descriptor: (2~{R})-2-azanyl-~{N}-[4-ethanoyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]propanamide, ATPase family AAA domain-containing protein 2, SULFATE ION
Authors:Sledz, P, Caflisch, A.
Deposit date:2018-08-29
Release date:2019-02-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020

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