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6C7Y
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BU of 6c7y by Molmil
Crystal structure of inhibitory protein SOCS1 in complex with JAK1 kinase domain
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Liau, N.P.D, Laktyushin, A, Lucet, I.S, Murphy, J.M, Yao, S, Callaghan, K, Nicola, N.A, Kershaw, N.J, Babon, J.J.
Deposit date:2018-01-23
Release date:2018-05-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.499 Å)
Cite:The molecular basis of JAK/STAT inhibition by SOCS1.
Nat Commun, 9, 2018
6XAG
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BU of 6xag by Molmil
Apo BRAF dimer bound to 14-3-3
Descriptor: 1,2-ETHANEDIOL, 14-3-3 protein zeta/delta, Serine/threonine-protein kinase B-raf
Authors:Liau, N.P.D, Hymowitz, S.G, Sudhamsu, J.
Deposit date:2020-06-04
Release date:2020-10-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Dimerization Induced by C-Terminal 14-3-3 Binding Is Sufficient for BRAF Kinase Activation.
Biochemistry, 59, 2020
6U2G
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BU of 6u2g by Molmil
BRAF-MEK complex with AMP-PCP bound to BRAF
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
Authors:Liau, N.P.D, Wendorff, T, Hymowitz, S, Sudhamsu, J.
Deposit date:2019-08-19
Release date:2019-08-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.886 Å)
Cite:Negative regulation of RAF kinase activity by ATP is overcome by 14-3-3-induced dimerization.
Nat.Struct.Mol.Biol., 27, 2020
6U2H
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BU of 6u2h by Molmil
BRAF dimer bound to 14-3-3
Descriptor: 14-3-3 protein zeta/delta, 2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethanol, Serine/threonine-protein kinase B-raf
Authors:Liau, N.P.D, Hymowitz, S.G, Sudhamsu, J.
Deposit date:2019-08-19
Release date:2019-08-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Negative regulation of RAF kinase activity by ATP is overcome by 14-3-3-induced dimerization.
Nat.Struct.Mol.Biol., 27, 2020
7SD1
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BU of 7sd1 by Molmil
Crystal structure of SHOC2
Descriptor: Leucine-rich repeat protein SHOC-2
Authors:Liau, N.P.D, Hymowitz, S.G, Sudhamsu, J.
Deposit date:2021-09-29
Release date:2022-04-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Structural basis for SHOC2 modulation of RAS signalling.
Nature, 609, 2022
7SD0
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BU of 7sd0 by Molmil
Cryo-EM structure of the SHOC2:PP1C:MRAS complex
Descriptor: Leucine-rich repeat protein SHOC-2, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Liau, N.P.D, Johnson, M.C, Hymowitz, S.G, Sudhamsu, J.
Deposit date:2021-09-29
Release date:2022-04-20
Last modified:2023-11-29
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Structural basis for SHOC2 modulation of RAS signalling.
Nature, 609, 2022
8G0M
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BU of 8g0m by Molmil
Structure of complex between TV6.6 and CD98hc ECD
Descriptor: 1,2-ETHANEDIOL, 4F2 cell-surface antigen heavy chain, TETRAETHYLENE GLYCOL, ...
Authors:Kariolis, M.S, Lexa, K, Liau, N.P.D, Srivastava, D, Tran, H, Wells, R.C.
Deposit date:2023-01-31
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:CD98hc is a target for brain delivery of biotherapeutics.
Nat Commun, 14, 2023
8DVM
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BU of 8dvm by Molmil
Crystal structure of LRP6 E3E4 in complex with disulfide constrained peptide E3.6
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Thakur, A.K, Liau, N.P.D, Sudhamsu, J, Hannoush, R.N.
Deposit date:2022-07-29
Release date:2023-03-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Synthetic Multivalent Disulfide-Constrained Peptide Agonists Potentiate Wnt1/ beta-Catenin Signaling via LRP6 Coreceptor Clustering.
Acs Chem.Biol., 18, 2023
8DVL
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BU of 8dvl by Molmil
Crystal structure of LRP6 E3E4 in complex with disulfide constrained peptide E3.18
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Thakur, A.K, Liau, N.P.D, Sudhamsu, J, Hannoush, R.N.
Deposit date:2022-07-29
Release date:2023-03-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Synthetic Multivalent Disulfide-Constrained Peptide Agonists Potentiate Wnt1/ beta-Catenin Signaling via LRP6 Coreceptor Clustering.
Acs Chem.Biol., 18, 2023
8DVN
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BU of 8dvn by Molmil
Crystal structure of LRP6 E3E4 in complex with disulfide constrained peptide E3.10
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Thakur, A.K, Liau, N.P.D, Sudhamsu, J, Hannoush, R.N.
Deposit date:2022-07-29
Release date:2023-03-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Synthetic Multivalent Disulfide-Constrained Peptide Agonists Potentiate Wnt1/ beta-Catenin Signaling via LRP6 Coreceptor Clustering.
Acs Chem.Biol., 18, 2023
6C5X
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BU of 6c5x by Molmil
Crystal Structure of SOCS1 in complex with ElonginB and ElonginC
Descriptor: Elongin-B, Elongin-C, GP130 peptide fragment, ...
Authors:Kershaw, N.J, Laktyushin, A, Babon, J.J.
Deposit date:2018-01-17
Release date:2018-05-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.105 Å)
Cite:The molecular basis of JAK/STAT inhibition by SOCS1.
Nat Commun, 9, 2018
7SZR
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BU of 7szr by Molmil
NIK bound to inhibitor G02792917
Descriptor: 1-(3-{[(1R,4R,5S)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl}phenyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION
Authors:Liau, N.P.D, Hymowitz, S.G.
Deposit date:2021-11-29
Release date:2023-06-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Filling a nick in NIK: Extending the half-life of a NIK inhibitor through structure-based drug design.
Bioorg.Med.Chem.Lett., 89, 2023
6XFP
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BU of 6xfp by Molmil
Crystal Structure of BRAF kinase domain bound to Belvarafenib
Descriptor: 4-amino-N-{1-[(3-chloro-2-fluorophenyl)amino]-6-methylisoquinolin-5-yl}thieno[3,2-d]pyrimidine-7-carboxamide, CHLORIDE ION, Serine/threonine-protein kinase B-raf
Authors:Yin, J, Sudhamsu, J.
Deposit date:2020-06-16
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:ARAF mutations confer resistance to the RAF inhibitor belvarafenib in melanoma.
Nature, 594, 2021
7SHV
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BU of 7shv by Molmil
Crystal structure of BRAF kinase domain bound to GDC0879
Descriptor: 2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethanol, CHLORIDE ION, Serine/threonine-protein kinase B-raf
Authors:Kung, J.E, Sudhamsu, J.
Deposit date:2021-10-11
Release date:2022-10-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Clearing the Path to Rapid High-Quality Protein Purification
To Be Published
7SI1
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BU of 7si1 by Molmil
Crystal structure of apo EGFR kinase domain
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, SULFATE ION
Authors:Kung, J.E, Wu, P, Kiefer, J.R, Sudhamsu, J.
Deposit date:2021-10-12
Release date:2022-10-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Clearing the Path to Rapid High-Quality Protein Purification
To Be Published
8EYB
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BU of 8eyb by Molmil
Crystal structure of PTP1B D181A/Q262A/C215A phosphatase domain with JAK2 activation loop phosphopeptide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein kinase JAK2 activation loop phosphopeptide, Tyrosine-protein phosphatase non-receptor type 1
Authors:Morris, R, Kershaw, N.J, Babon, J.J.
Deposit date:2022-10-26
Release date:2023-07-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.349 Å)
Cite:Structure guided studies of the interaction between PTP1B and JAK.
Commun Biol, 6, 2023
8EXI
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BU of 8exi by Molmil
Crystal structure of apo PTP1B D181A/Q262A phosphatase domain
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Tyrosine-protein phosphatase non-receptor type 1
Authors:Morris, R, Kershaw, N.J, Babon, J.J.
Deposit date:2022-10-25
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Structure guided studies of the interaction between PTP1B and JAK.
Commun Biol, 6, 2023
8EXN
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BU of 8exn by Molmil
Crystal structure of PTP1B D181A/Q262A phosphatase domain with TYK2 activation loop phosphopeptide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Non-receptor tyrosine-protein kinase TYK2 activation loop peptide, PHOSPHATE ION, ...
Authors:Morris, R, Kershaw, N.J, Babon, J.J.
Deposit date:2022-10-25
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.151 Å)
Cite:Structure guided studies of the interaction between PTP1B and JAK.
Commun Biol, 6, 2023
8EYA
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BU of 8eya by Molmil
Crystal structure of PTP1B D181A/Q262A/C215A phosphatase domain with a JAK2 activation loop phosphopeptide
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Morris, R, Kershaw, N.J, Babon, J.J.
Deposit date:2022-10-26
Release date:2023-07-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Structure guided studies of the interaction between PTP1B and JAK.
Commun Biol, 6, 2023
8EXJ
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BU of 8exj by Molmil
Crystal structure of PTP1B D181A/Q262A phosphatase domain in complex with a JAK1 activation loop phosphopeptide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PHOSPHATE ION, Tyrosine-protein kinase JAK1 activation loop peptide, ...
Authors:Morris, R, Kershaw, N.J, Babon, J.J.
Deposit date:2022-10-25
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Structure guided studies of the interaction between PTP1B and JAK.
Commun Biol, 6, 2023
8F88
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BU of 8f88 by Molmil
Crystal structure of PTP1B D181A/Q262A/C215A phosphatase domain with monophosphorylated JAK2 activation loop phosphopeptide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein kinase JAK2, Tyrosine-protein phosphatase non-receptor type 1
Authors:Morris, R, Kershaw, N.J, Babon, J.J.
Deposit date:2022-11-21
Release date:2023-07-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure guided studies of the interaction between PTP1B and JAK.
Commun Biol, 6, 2023
8EXK
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BU of 8exk by Molmil
Crystal structure of PTP1B D181A/Q262A phosphatase domain with JAK2 activation loop phosphopeptide
Descriptor: PHOSPHATE ION, Tyrosine-protein kinase JAK2 activation loop peptide, Tyrosine-protein phosphatase non-receptor type 1
Authors:Morris, R, Kershaw, N.J, Babon, J.J.
Deposit date:2022-10-25
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.096 Å)
Cite:Structure guided studies of the interaction between PTP1B and JAK.
Commun Biol, 6, 2023
8EXM
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BU of 8exm by Molmil
Crystal structure of PTP1B D181A/Q262A phosphatase domain with a JAK3 activation loop phosphopeptide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PHOSPHATE ION, Tyrosine-protein kinase JAK3 activation loop peptide, ...
Authors:Morris, R, Kershaw, N.J, Babon, J.J.
Deposit date:2022-10-25
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.349 Å)
Cite:Structure guided studies of the interaction between PTP1B and JAK.
Commun Biol, 6, 2023
8EYC
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BU of 8eyc by Molmil
Crystal structure of PTP1B D181A/Q262A/C215A phosphatase domain with TYK2 activation loop phosphopeptide
Descriptor: Non-receptor tyrosine-protein kinase TYK2 activation loop phosphopeptide, Tyrosine-protein phosphatase non-receptor type 1
Authors:Morris, R, Kershaw, N.J, Babon, J.J.
Deposit date:2022-10-26
Release date:2023-08-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Structure guided studies of the interaction between PTP1B and JAK.
Commun Biol, 6, 2023

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