Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
7SCZ
DownloadVisualize
BU of 7scz by Molmil
Nuc147 bound to multiple BRCTs
Descriptor: DNA (147-MER), Histone H2A, Histone H2B type 1-J, ...
Authors:Muthurajan, U.M, Rudolph, J.
Deposit date:2021-09-29
Release date:2022-01-19
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:The BRCT domain of PARP1 binds intact DNA and mediates intrastrand transfer.
Mol.Cell, 81, 2021
2IFD
DownloadVisualize
BU of 2ifd by Molmil
Crystal structure of a remote binding site mutant, R492L, of CDC25B Phosphatase catalytic domain
Descriptor: CHLORIDE ION, M-phase inducer phosphatase 2, SULFATE ION
Authors:Rudolph, J, Buhrman, G.
Deposit date:2006-09-20
Release date:2007-02-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Kinetic and structural studies of specific protein-protein interactions in substrate catalysis by Cdc25B phosphatase.
Biochemistry, 46, 2007
2IFV
DownloadVisualize
BU of 2ifv by Molmil
Crystal structure of an active site mutant, C473D, of CDC25B phosphatase catalytic domain
Descriptor: CHLORIDE ION, M-phase inducer phosphatase 2
Authors:Rudolph, J, Buhrman, G.
Deposit date:2006-09-21
Release date:2007-02-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Kinetic and structural studies of specific protein-protein interactions in substrate catalysis by Cdc25B phosphatase.
Biochemistry, 46, 2007
6OPK
DownloadVisualize
BU of 6opk by Molmil
Phosphorylated ERK2 with Vertex-11e
Descriptor: 4-{2-[(2-chloro-4-fluorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide, Mitogen-activated protein kinase 1
Authors:Vigers, G.P, Rudolph, J.
Deposit date:2019-04-25
Release date:2019-07-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
6W3B
DownloadVisualize
BU of 6w3b by Molmil
Structure of apo unphosphorylated IRE1
Descriptor: Serine/threonine-protein kinase/endoribonuclease IRE1
Authors:Wallweber, H, Mortara, K, Ferri, E, Rudolph, J, Wang, W.
Deposit date:2020-03-09
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands.
Nat Commun, 11, 2020
6W3C
DownloadVisualize
BU of 6w3c by Molmil
Structure of phosphorylated apo IRE1
Descriptor: Serine/threonine-protein kinase/endoribonuclease IRE1
Authors:Wallweber, H, Mortara, K, Ferri, E, Wang, W, Rudolph, J.
Deposit date:2020-03-09
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands.
Nat Commun, 11, 2020
6W3K
DownloadVisualize
BU of 6w3k by Molmil
Structure of unphosphorylated human IRE1 bound to G-9807
Descriptor: 4-[5-[2,6-bis(fluoranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-oxidanylpiperidin-1-yl)-1~{H}-pyrimidin-6-one, Serine/threonine-protein kinase/endoribonuclease IRE1
Authors:Lammens, A, Wang, W, Ferri, E, Rudolph, J.
Deposit date:2020-03-09
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands.
Nat Commun, 11, 2020
2A2K
DownloadVisualize
BU of 2a2k by Molmil
Crystal Structure of an active site mutant, C473S, of Cdc25B Phosphatase Catalytic Domain
Descriptor: CHLORIDE ION, M-phase inducer phosphatase 2, SULFATE ION
Authors:Sohn, J, Parks, J, Buhrman, G, Brown, P, Kristjansdottir, K, Safi, A, Yang, W, Edelsbrunner, H, Rudolph, J.
Deposit date:2005-06-22
Release date:2006-01-03
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Experimental Validation of the Docking Orientation of Cdc25 with Its Cdk2-CycA Protein Substrate.
Biochemistry, 44, 2005
1YM9
DownloadVisualize
BU of 1ym9 by Molmil
Crystal structure of the CDC25B phosphatase catalytic domain with the active site cysteine in the sulfinic form
Descriptor: CHLORIDE ION, M-phase inducer phosphatase 2
Authors:Buhrman, G.K, Parker, B, Sohn, J, Rudolph, J, Mattos, C.
Deposit date:2005-01-20
Release date:2005-04-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Mechanism of Oxidative Regulation of the Phosphatase Cdc25B via an Intramolecular Disulfide Bond
Biochemistry, 44, 2005
1YML
DownloadVisualize
BU of 1yml by Molmil
Crystal Structure of the CDC25B phosphatase catalytic domain with the active site cysteine in the sulfenic form
Descriptor: CHLORIDE ION, M-phase inducer phosphatase 2
Authors:Buhrman, G.K, Parker, B, Sohn, J, Rudolph, J, Mattos, C.
Deposit date:2005-01-21
Release date:2005-04-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Mechanism of Oxidative Regulation of the Phosphatase Cdc25B via an Intramolecular Disulfide Bond
Biochemistry, 44, 2005
1YMK
DownloadVisualize
BU of 1ymk by Molmil
Crystal Structure of the CDC25B phosphatase catalytic domain in the apo form
Descriptor: CHLORIDE ION, M-phase inducer phosphatase 2
Authors:Buhrman, G.K, Parker, B, Sohn, J, Rudolph, J, Mattos, C.
Deposit date:2005-01-21
Release date:2005-04-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Mechanism of Oxidative Regulation of the Phosphatase Cdc25B via an Intramolecular Disulfide Bond
Biochemistry, 44, 2005
1YS0
DownloadVisualize
BU of 1ys0 by Molmil
Crystal Structure of the CDC25B phosphatase catalytic domain with the active site cysteine in the disulfide form
Descriptor: CHLORIDE ION, M-phase inducer phosphatase 2
Authors:Buhrman, G.K, Parker, B, Sohn, J, Rudolph, J, Mattos, C.
Deposit date:2005-02-05
Release date:2005-04-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Mechanism of Oxidative Regulation of the Phosphatase Cdc25B via an Intramolecular Disulfide Bond
Biochemistry, 44, 2005
1YMD
DownloadVisualize
BU of 1ymd by Molmil
Crystal Structure of the CDC25B phosphatase catalytic domain with the active site cysteine in the sulfonic form
Descriptor: CHLORIDE ION, M-phase inducer phosphatase 2
Authors:Buhrman, G.K, Parker, B, Sohn, J, Rudolph, J, Mattos, C.
Deposit date:2005-01-20
Release date:2005-04-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Mechanism of Oxidative Regulation of the Phosphatase Cdc25B via an Intramolecular Disulfide Bond
Biochemistry, 44, 2005
1XXE
DownloadVisualize
BU of 1xxe by Molmil
RDC refined solution structure of the AaLpxC/TU-514 complex
Descriptor: 1,5-ANHYDRO-2-C-(CARBOXYMETHYL-N-HYDROXYAMIDE)-2-DEOXY-3-O-MYRISTOYL-D-GLUCITOL, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION
Authors:Coggins, B.E, McClerren, A.L, Jiang, L, Li, X, Rudolph, J, Hindsgaul, O, Raetz, C.R.H, Zhou, P.
Deposit date:2004-11-04
Release date:2004-11-23
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Refined Solution Structure of the LpxC-TU-514 Complex and pK(a) Analysis of an Active Site Histidine: Insights into the Mechanism and Inhibitor Design
Biochemistry, 44, 2005
4PP7
DownloadVisualize
BU of 4pp7 by Molmil
Highly Potent and Selective 3-N-methylquinazoline-4(3H)-one Based Inhibitors of B-RafV600E Kinase
Descriptor: N-{2,4-difluoro-3-[methyl(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide, Serine/threonine-protein kinase B-raf
Authors:Wenglowsky, S, Ren, L, Grina, J, Hansen, J.D, Laird, E.R, Moreno, D, Dinkel, V, Gloor, S.L, Hastings, G, Rana, S, Rasor, K, Sturgis, H.L, Voegtli, W.C, Vigers, G.P.A, Willis, B, Mathieu, S, Rudolph, J.
Deposit date:2014-02-26
Release date:2014-04-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Highly potent and selective 3-N-methylquinazoline-4(3H)-one based inhibitors of B-Raf(V600E) kinase.
Bioorg.Med.Chem.Lett., 24, 2014
7SCY
DownloadVisualize
BU of 7scy by Molmil
Nuc147 bound to single BRCT
Descriptor: DNA (147-MER), Histone H2A, Histone H2B type 1-J, ...
Authors:Muthurajan, U.M, Rudolph, J.R.
Deposit date:2021-09-29
Release date:2022-01-12
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:The BRCT domain of PARP1 binds intact DNA and mediates intrastrand transfer.
Mol.Cell, 81, 2021
5IME
DownloadVisualize
BU of 5ime by Molmil
Crystal structure of P21-activated kinase 1 (PAK1) in complex with compound 9
Descriptor: 8-(3-aminopropyl)-6-[2-chloro-4-(3-methyl-2-oxopyrazin-1(2H)-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase PAK 1
Authors:Li, D, Wang, W.
Deposit date:2016-03-06
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.217 Å)
Cite:Chemically Diverse Group I p21-Activated Kinase (PAK) Inhibitors Impart Acute Cardiovascular Toxicity with a Narrow Therapeutic Window.
J.Med.Chem., 59, 2016
8E1O
DownloadVisualize
BU of 8e1o by Molmil
Crystal structure of hTEAD2 bound to a methoxypyridine lipid pocket binder
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-methoxy-N-({3-[2-(methylamino)-2-oxoethyl]phenyl}methyl)-4-{(E)-2-[trans-4-(trifluoromethyl)cyclohexyl]ethenyl}pyridine-2-carboxamide, Transcriptional enhancer factor TEF-4
Authors:Noland, C.L, Dey, A, Zbieg, J, Crawford, J.
Deposit date:2022-08-10
Release date:2023-08-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Targeting the Hippo pathway in cancers via ubiquitination dependent TEAD degradation
Biorxiv, 2024
6URC
DownloadVisualize
BU of 6urc by Molmil
Crystal structure of IRE1a in complex with compound 18
Descriptor: 2-chloro-N-(6-methyl-5-{[3-(2-{[(3S)-piperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}naphthalen-1-yl)benzene-1-sulfonamide, GLYCEROL, Serine/threonine-protein kinase/endoribonuclease IRE1
Authors:Wallweber, H.H, Wang, W.
Deposit date:2019-10-23
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Disruption of IRE1 alpha through its kinase domain attenuates multiple myeloma.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
4ZY4
DownloadVisualize
BU of 4zy4 by Molmil
Crystal structure of P21 activated kinase 1 in complex with an inhibitor compound 4
Descriptor: 2-(4-aminopiperidin-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine, DIMETHYL SULFOXIDE, SULFATE ION, ...
Authors:Rouge, R, Wang, W.
Deposit date:2015-05-21
Release date:2015-07-01
Last modified:2015-07-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
4ZY6
DownloadVisualize
BU of 4zy6 by Molmil
Crystal structure of P21-activated kinase 1 in complex with an inhibitor compound 29
Descriptor: N~2~-[(7-chloro-1H-benzimidazol-6-yl)methyl]-N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine, SULFATE ION, Serine/threonine-protein kinase PAK 1
Authors:Rouge, L, Wang, W.
Deposit date:2015-05-21
Release date:2015-07-01
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
4ZY5
DownloadVisualize
BU of 4zy5 by Molmil
Crystal Structure of p21-activated kinase 1 in complex with an inhibitor compound 17
Descriptor: DIMETHYL SULFOXIDE, N~2~-[(trans-4-aminocyclohexyl)methyl]-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine, SULFATE ION, ...
Authors:Rouge, L, Wang, W.
Deposit date:2015-05-21
Release date:2015-07-01
Last modified:2015-07-15
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
6USJ
DownloadVisualize
BU of 6usj by Molmil
Structure of two nucleosomes bridged by human PARP2
Descriptor: Histone H2A, Histone H2B type 1-J, Histone H3.1, ...
Authors:Gaullier, G, Bowerman, S, Luger, K.
Deposit date:2019-10-27
Release date:2020-10-14
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (10.5 Å)
Cite:Bridging of nucleosome-proximal DNA double-strand breaks by PARP2 enhances its interaction with HPF1.
Plos One, 15, 2020
6XLO
DownloadVisualize
BU of 6xlo by Molmil
Crystal structure of bRaf in complex with inhibitor
Descriptor: 3-(2-cyanopropan-2-yl)-N-[2-fluoro-4-methyl-5-(7-methyl-8-oxo-7,8-dihydropyrido[2,3-d]pyridazin-3-yl)phenyl]benzamide, IODIDE ION, Serine/threonine-protein kinase B-raf
Authors:Yin, J, Eigenbrot, C, Wang, W.
Deposit date:2020-06-28
Release date:2021-05-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.493 Å)
Cite:Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3 H )-quinazolinone Aryl Urea pan-RAF Kinase Inhibitor.
J.Med.Chem., 64, 2021
7K0V
DownloadVisualize
BU of 7k0v by Molmil
Crystal structure of bRaf in complex with inhibitor GNE-0749
Descriptor: CHLORIDE ION, N-(3,3-dimethylbutyl)-N'-{2-fluoro-5-[(5-fluoro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-methylphenyl}urea, Non-specific serine/threonine protein kinase
Authors:Yin, J, Eigenbrot, C.E, Wang, W.
Deposit date:2020-09-06
Release date:2021-05-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3 H )-quinazolinone Aryl Urea pan-RAF Kinase Inhibitor.
J.Med.Chem., 64, 2021

 

123>

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon