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4ONM
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BU of 4onm by Molmil
Crystal structure of human Mms2/Ubc13 - NSC697923
Descriptor: 2-[(4-methylphenyl)sulfonyl]-5-nitrofuran, GLYCEROL, Ubiquitin-conjugating enzyme E2 N, ...
Authors:Hodge, C.D, Edwards, R.A, Glover, J.N.M.
Deposit date:2014-01-28
Release date:2015-05-06
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Covalent Inhibition of Ubc13 Affects Ubiquitin Signaling and Reveals Active Site Elements Important for Targeting.
Acs Chem.Biol., 10, 2015
3K0K
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BU of 3k0k by Molmil
Crystal Structure of BRCA1 BRCT in complex with a minimal recognition tetrapeptide with a free carboxy C-terminus.
Descriptor: Breast cancer type 1 susceptibility protein, CHLORIDE ION, NICKEL (II) ION, ...
Authors:Campbell, S.J, Edwards, R.A, Glover, J.N.
Deposit date:2009-09-24
Release date:2010-03-02
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Comparison of the Structures and Peptide Binding Specificities of the BRCT Domains of MDC1 and BRCA1
Structure, 18, 2010
4OFB
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BU of 4ofb by Molmil
Crystal structure of human BRCA1 BRCT in complex with nonphosphopeptide inhibitor
Descriptor: Breast cancer type 1 susceptibility protein, nonphosphopeptide inhibitor
Authors:Sun, L, Edwards, R.A, Glover, J.N.M.
Deposit date:2014-01-14
Release date:2015-04-15
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Peptide Library Approach to Uncover Phosphomimetic Inhibitors of the BRCA1 C-Terminal Domain.
Acs Chem.Biol., 10, 2015
4ONN
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BU of 4onn by Molmil
Crystal structure of human Mms2/Ubc13 - BAY 11-7082
Descriptor: 3-[(4-methylphenyl)sulfonyl]prop-2-enenitrile, GLYCEROL, Ubiquitin-conjugating enzyme E2 N, ...
Authors:Hodge, C.D, Edwards, R.A, Glover, J.N.M.
Deposit date:2014-01-28
Release date:2015-05-06
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Covalent Inhibition of Ubc13 Affects Ubiquitin Signaling and Reveals Active Site Elements Important for Targeting.
Acs Chem.Biol., 10, 2015
4ONL
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BU of 4onl by Molmil
Crystal structure of human Mms2/Ubc13_D81N, R85S, A122V, N123P
Descriptor: Ubiquitin-conjugating enzyme E2 N, Ubiquitin-conjugating enzyme E2 variant 2
Authors:Hodge, C.D, Edwards, R.A, Glover, J.N.M.
Deposit date:2014-01-28
Release date:2015-05-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Covalent Inhibition of Ubc13 Affects Ubiquitin Signaling and Reveals Active Site Elements Important for Targeting.
Acs Chem.Biol., 10, 2015
4ORH
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BU of 4orh by Molmil
Crystal structure of RNF8 bound to the UBC13/MMS2 heterodimer
Descriptor: E3 ubiquitin-protein ligase RNF8, Ubiquitin-conjugating enzyme E2 N, Ubiquitin-conjugating enzyme E2 variant 2, ...
Authors:Campbell, S.J, Edwards, R.A, Glover, J.N.M.
Deposit date:2014-02-11
Release date:2014-02-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (4.802 Å)
Cite:Molecular insights into the function of RING finger (RNF)-containing proteins hRNF8 and hRNF168 in Ubc13/Mms2-dependent ubiquitylation.
J.Biol.Chem., 287, 2012
2ADO
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BU of 2ado by Molmil
Crystal Structure Of The Brct Repeat Region From The Mediator of DNA damage checkpoint protein 1, MDC1
Descriptor: Mediator of DNA damage checkpoint protein 1
Authors:Lee, M.S, Edwards, R.A, Thede, G.L, Glover, J.N.
Deposit date:2005-07-20
Release date:2005-08-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure of the BRCT Repeat Domain of MDC1 and Its Specificity for the Free COOH-terminal End of the {gamma}-H2AX Histone Tail.
J.Biol.Chem., 280, 2005
3OMY
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BU of 3omy by Molmil
Crystal structure of the pED208 TraM N-terminal domain
Descriptor: GLYCEROL, MAGNESIUM ION, Protein traM
Authors:Wong, J.J.W, Lu, J, Edwards, R.A, Frost, L.S, Mark Glover, J.N.
Deposit date:2010-08-27
Release date:2011-05-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural basis of cooperative DNA recognition by the plasmid conjugation factor, TraM.
Nucleic Acids Res., 39, 2011
3ON0
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BU of 3on0 by Molmil
Crystal structure of the pED208 TraM-sbmA complex
Descriptor: Protein traM, sbmA
Authors:Wong, J.J.W, Lu, J, Edwards, R.A, Frost, L.S, Mark Glover, J.N.
Deposit date:2010-08-27
Release date:2011-05-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.874 Å)
Cite:Structural basis of cooperative DNA recognition by the plasmid conjugation factor, TraM.
Nucleic Acids Res., 39, 2011
5U6K
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BU of 5u6k by Molmil
Crystal structure of TopBP1 BRCT4/5 in complex with a BLM phosphopeptide
Descriptor: Bloom Sydrome recQ helicase like protein (BLM), DNA topoisomerase 2-binding protein 1
Authors:Glover, J.N.M, Sun, L, Edwards, R.A.
Deposit date:2016-12-08
Release date:2017-10-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Insight into BLM Recognition by TopBP1.
Structure, 25, 2017
1J74
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BU of 1j74 by Molmil
Crystal Structure of Mms2
Descriptor: MMS2
Authors:Moraes, T.F, Edwards, R.A, McKenna, S, Pastushok, L, Xiao, W, Glover, J.N.M, Ellison, M.J.
Deposit date:2001-05-15
Release date:2001-08-08
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the human ubiquitin conjugating enzyme complex, hMms2-hUbc13.
Nat.Struct.Biol., 8, 2001
1J7D
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BU of 1j7d by Molmil
Crystal Structure of hMms2-hUbc13
Descriptor: MMS2, UBIQUITIN-CONJUGATING ENZYME E2-17 KDA
Authors:Moraes, T.F, Edwards, R.A, McKenna, S, Pashushok, L, Xiao, W, Glover, J.N.M, Ellison, M.J.
Deposit date:2001-05-16
Release date:2001-08-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of the human ubiquitin conjugating enzyme complex, hMms2-hUbc13.
Nat.Struct.Biol., 8, 2001
2R1Z
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BU of 2r1z by Molmil
Crystal Structure of the BARD1 BRCT Repeat
Descriptor: BRCA1-associated RING domain protein 1, GLYCEROL
Authors:Lee, M.S, Edwards, R.A, Williams, R.S, Glover, M.J.N.
Deposit date:2007-08-23
Release date:2007-09-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of the BARD1 BRCT Repeat
To be Published
3QZC
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BU of 3qzc by Molmil
Structure of the periplasmic stress response protein CpxP
Descriptor: Periplasmic protein CpxP, ZINC ION
Authors:Thede, G.L, Edwards, R.A, Glover, J.N.M.
Deposit date:2011-03-04
Release date:2011-03-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure of the Periplasmic Stress Response Protein CpxP.
J.Bacteriol., 193, 2011
6DCX
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BU of 6dcx by Molmil
iASPP-PP-1c structure and targeting of p53
Descriptor: RelA-associated inhibitor, Serine/threonine-protein phosphatase PP1-alpha catalytic subunit
Authors:Glover, J.N.M, Zhou, Y, Edwards, R.A.
Deposit date:2018-05-08
Release date:2019-05-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.408 Å)
Cite:Flexible Tethering of ASPP Proteins Facilitates PP-1c Catalysis.
Structure, 27, 2019
4LI5
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BU of 4li5 by Molmil
EGFR-K IN COMPLEX WITH N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-4-methoxy-phenyl] Prop-2-enamide
Descriptor: Epidermal growth factor receptor, N-(3-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide, SODIUM ION
Authors:Debreczeni, J.E, Seiffert, G.B, Kiefersauer, R, Augustin, M, Nagel, S, Ward, R, Anderton, M, Ashton, S, Bethel, P, Box, M, Butterworth, S, Colclough, N, Chroley, C, Chuaqui, C, Cross, D, Eberlein, C, Finlay, R, Hill, G, Grist, M, Klinowska, T, Lane, C, Martin, S, Orme, J, Smith, P, Wang, F, Waring, M.
Deposit date:2013-07-02
Release date:2013-08-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structure- and Reactivity-Based Development of Covalent Inhibitors of the Activating and Gatekeeper Mutant Forms of the Epidermal Growth Factor Receptor (EGFR).
J.Med.Chem., 56, 2013
6SLG
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BU of 6slg by Molmil
HUMAN ERK2 WITH ERK1/2 INHIBITOR, AZD0364.
Descriptor: (6~{R})-7-[[3,4-bis(fluoranyl)phenyl]methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one, 1,2-ETHANEDIOL, ERK-tide, ...
Authors:Breed, J, Phillips, C.
Deposit date:2019-08-19
Release date:2019-11-20
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Discovery of a Potent and Selective Oral Inhibitor of ERK1/2 (AZD0364) That Is Efficacious in Both Monotherapy and Combination Therapy in Models of Nonsmall Cell Lung Cancer (NSCLC).
J.Med.Chem., 62, 2019
4P90
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BU of 4p90 by Molmil
Crystal structure of the kinase domain of human PAK1 in complex with compound 15
Descriptor: Serine/threonine-protein kinase PAK 1, [2-chloro-5-(hydroxymethyl)phenyl]{5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl}methanone
Authors:Ferguson, A.D.
Deposit date:2014-04-01
Release date:2014-09-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Identification and optimisation of 7-azaindole PAK1 inhibitors with improved potency and kinase selectivity.
MEDCHEMCOMM, 2014
7AEI
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BU of 7aei by Molmil
Studies Towards a Reversible EGFR C797S Triple Mutant Inhibitor Series
Descriptor: 5-chloranyl-~{N}2-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]-~{N}4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine, Epidermal growth factor receptor
Authors:Hargreaves, D.
Deposit date:2020-09-17
Release date:2021-06-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Abstract 4451: Evaluation of the therapeutic potential of phosphine oxide pyrazole inhibitors in tumors harboring EGFR C797S mutation
Cancer Res., 79, 2019
7AEM
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BU of 7aem by Molmil
Studies Towards a Reversible EGFR C797S Triple Mutant Inhibitor Series
Descriptor: 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine, Epidermal growth factor receptor
Authors:Hargreaves, D.
Deposit date:2020-09-17
Release date:2021-04-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Abstract 4451: Evaluation of the therapeutic potential of phosphine oxide pyrazole inhibitors in tumors harboring EGFR C797S mutation
Cancer Res., 79, 2019
8PO4
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BU of 8po4 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 33 bound to EGFR[V948R]
Descriptor: 1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, Epidermal growth factor receptor, ...
Authors:Hargreaves, D.
Deposit date:2023-07-03
Release date:2024-06-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.621 Å)
Cite:Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
8PO3
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BU of 8po3 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 18 bound to EGFR[V948R]
Descriptor: 2-methyl-5-[[3-[1-[(3~{S})-1-propanoylpyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one, Epidermal growth factor receptor
Authors:Hargreaves, D.
Deposit date:2023-07-03
Release date:2024-06-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
8PO2
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BU of 8po2 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 33 bound to EGFRinsNPG [V948R]
Descriptor: 1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide, Epidermal growth factor receptor
Authors:Hargreaves, D.
Deposit date:2023-07-03
Release date:2024-06-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
8PNZ
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BU of 8pnz by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 16 bound to EGFR
Descriptor: 1-[(3~{S})-3-[4-(6,7-dimethoxyquinazolin-4-yl)-3-(3-methoxyphenyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one, Epidermal growth factor receptor
Authors:Hargreaves, D.
Deposit date:2023-07-03
Release date:2024-06-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
8PO0
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BU of 8po0 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 12 bound to EGFRinsNPG
Descriptor: 1-[3-[7-methoxy-4-[3-(3-methoxyphenyl)-1~{H}-pyrazol-4-yl]quinazolin-6-yl]oxyazetidin-1-yl]propan-1-one, Epidermal growth factor receptor
Authors:Hargreaves, D.
Deposit date:2023-07-03
Release date:2024-06-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.523 Å)
Cite:Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024

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