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4JG6
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BU of 4jg6 by Molmil
RSK2 CTD bound to 2-cyano-3-(1H-indazol-5-yl)acrylamide
Descriptor: (2S)-2-cyano-3-(1H-indazol-5-yl)propanamide, Ribosomal protein S6 kinase alpha-3, SODIUM ION
Authors:Miller, R.M, Paavilainen, V.O, Krishnan, S, Serafimova, I.M, Taunton, J.
Deposit date:2013-02-28
Release date:2013-04-10
Last modified:2013-04-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Electrophilic fragment-based design of reversible covalent kinase inhibitors.
J.Am.Chem.Soc., 135, 2013
4JG7
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BU of 4jg7 by Molmil
Structure of RSK2 CTD bound to 3-(3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl)-2-cyanoacrylamide
Descriptor: (2R)-2-cyano-3-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylcarbonyl)phenyl]propanamide, Ribosomal protein S6 kinase alpha-3, SODIUM ION
Authors:Miller, R.M, Paavilainen, V.O, Krishnan, S, Serafimova, I.M, Taunton, J.
Deposit date:2013-02-28
Release date:2013-04-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.0002 Å)
Cite:Electrophilic fragment-based design of reversible covalent kinase inhibitors.
J.Am.Chem.Soc., 135, 2013
4JG8
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BU of 4jg8 by Molmil
Structure of RSK2 T493M CTD mutant bound to 2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl)acrylamide
Descriptor: (2S)-2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]propanamide, Ribosomal protein S6 kinase alpha-3
Authors:Miller, R.M, Paavilainen, V.O, Krishnan, S, Serafimova, I.M, Taunton, J.
Deposit date:2013-02-28
Release date:2013-04-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.1002 Å)
Cite:Electrophilic fragment-based design of reversible covalent kinase inhibitors.
J.Am.Chem.Soc., 135, 2013
4MAO
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BU of 4mao by Molmil
RSK2 T493M C-Terminal Kinase Domain in Complex with RMM58
Descriptor: (2Z)-2-(1H-1,2,4-triazol-1-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]prop-2-enenitrile, Ribosomal protein S6 kinase alpha-3, SODIUM ION
Authors:Miller, R.M, Taunton, J.
Deposit date:2013-08-16
Release date:2014-10-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design of reversible, cysteine-targeted Michael acceptors guided by kinetic and computational analysis.
J.Am.Chem.Soc., 136, 2014
4M8T
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BU of 4m8t by Molmil
RSK2 T493M C-Terminal Kinase Domain in complex with 3-(3-(1H-pyrazol-4-yl)phenyl)-2-cyanoacrylamide
Descriptor: (2E)-2-cyano-3-[3-(1H-pyrazol-4-yl)phenyl]prop-2-enamide, Ribosomal protein S6 kinase alpha-3, SODIUM ION
Authors:Miller, R.M, Taunton, J.
Deposit date:2013-08-13
Release date:2014-10-22
Last modified:2014-11-26
Method:X-RAY DIFFRACTION (3 Å)
Cite:Covalent docking of large libraries for the discovery of chemical probes.
Nat.Chem.Biol., 10, 2014
4D9T
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BU of 4d9t by Molmil
Rsk2 C-terminal Kinase Domain with inhibitor (E)-methyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyanoacrylate
Descriptor: Ribosomal protein S6 kinase alpha-3, SODIUM ION, methyl (2S)-3-{4-amino-7-[(1E)-3-hydroxyprop-1-en-1-yl]-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl}-2-cyanopropanoate
Authors:Serafimova, I.M, Pufall, M.A, Krishnan, S, Duda, K, Cohen, M.S, Maglathlin, R.L, McFarland, J.M, Miller, R.M, Frodin, M, Taunton, J.
Deposit date:2012-01-12
Release date:2012-04-25
Last modified:2012-05-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Reversible targeting of noncatalytic cysteines with chemically tuned electrophiles.
Nat.Chem.Biol., 8, 2012
4D9U
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BU of 4d9u by Molmil
Rsk2 C-terminal Kinase Domain, (E)-tert-butyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyanoacrylate
Descriptor: Ribosomal protein S6 kinase alpha-3, SODIUM ION, tert-butyl (2S)-3-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyanopropanoate
Authors:Serafimova, I.M, Pufall, M.A, Krishnan, S, Duda, K, Cohen, M.S, Maglathlin, R.L, McFarland, J.M, Miller, R.M, Frodin, M, Taunton, J.
Deposit date:2012-01-12
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Reversible targeting of noncatalytic cysteines with chemically tuned electrophiles.
Nat.Chem.Biol., 8, 2012
4LV0
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BU of 4lv0 by Molmil
AmpC beta-lactamase in complex with m-aminophenyl boronic acid
Descriptor: Beta-lactamase, M-AMINOPHENYLBORONIC ACID, PHOSPHATE ION
Authors:London, N, Eidam, O, Shoichet, B.K.
Deposit date:2013-07-25
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.652 Å)
Cite:Covalent docking of large libraries for the discovery of chemical probes.
Nat.Chem.Biol., 10, 2014
4LV2
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BU of 4lv2 by Molmil
AmpC beta-lactamase in complex with [1-(6-chloropyrimidin-4-yl)-1H-pyrazol-4-yl] boronic acid
Descriptor: Beta-lactamase, PHOSPHATE ION, [1-(6-chloropyrimidin-4-yl)-1H-pyrazol-4-yl]boronic acid
Authors:London, N, Eidam, O, Shoichet, B.K.
Deposit date:2013-07-25
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Covalent docking of large libraries for the discovery of chemical probes.
Nat.Chem.Biol., 10, 2014
4LV1
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BU of 4lv1 by Molmil
AmpC beta-lactamase in complex with [1-(3-chlorophenyl)-1H-pyrazol-4-yl] boronic acid
Descriptor: Beta-lactamase, PHOSPHATE ION, [1-(3-chlorophenyl)-1H-pyrazol-4-yl]boronic acid
Authors:London, N, Eidam, O, Shoichet, B.K.
Deposit date:2013-07-25
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Covalent docking of large libraries for the discovery of chemical probes.
Nat.Chem.Biol., 10, 2014
4LV3
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BU of 4lv3 by Molmil
AmpC beta-lactamase in complex with (3,5-di-tert-butylphenyl) boronic acid
Descriptor: (3,5-di-tert-butylphenyl)boronic acid, Beta-lactamase, PHOSPHATE ION
Authors:London, N, Eidam, O, Shoichet, B.K.
Deposit date:2013-07-25
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Covalent docking of large libraries for the discovery of chemical probes.
Nat.Chem.Biol., 10, 2014

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