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5IOK
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BU of 5iok by Molmil
Crystal structure of Taf14 YEATS domain in complex with histone H3K9cr
Descriptor: (ACE)QTAR(KCR)ST, DI(HYDROXYETHYL)ETHER, Transcription initiation factor TFIID subunit 14
Authors:Andrews, F.H, Kuateladze, T.G.
Deposit date:2016-03-08
Release date:2016-04-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:The Taf14 YEATS domain is a reader of histone crotonylation.
Nat.Chem.Biol., 12, 2016
5U28
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BU of 5u28 by Molmil
BRD4 first bromodomain (BD1) in complex with dual PI3 kinase inhibitor SF2523
Descriptor: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one, Bromodomain-containing protein 4, DI(HYDROXYETHYL)ETHER, ...
Authors:Andrews, F.H, Kutateladze, T.G.
Deposit date:2016-11-30
Release date:2017-02-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Dual-activity PI3K-BRD4 inhibitor for the orthogonal inhibition of MYC to block tumor growth and metastasis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5U2C
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BU of 5u2c by Molmil
BRD4 second bromodomain (BD2) in complex with dual PI3 kinase (PI3K) inhibitor SF2558HA
Descriptor: Bromodomain-containing protein 4, N-hydroxy-4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]benzamide
Authors:Andrews, F.H, Kutateladze, T.G.
Deposit date:2016-11-30
Release date:2017-02-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Dual-activity PI3K-BRD4 inhibitor for the orthogonal inhibition of MYC to block tumor growth and metastasis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5U2F
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BU of 5u2f by Molmil
BRD4 first bromodomain (BD1) in complex with dual PI3 kinase (PI3K) inhibitor SF2558HA
Descriptor: Bromodomain-containing protein 4, N-hydroxy-4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]benzamide
Authors:Andrews, F.H, Kutateladze, T.G.
Deposit date:2016-11-30
Release date:2017-02-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.525 Å)
Cite:Dual-activity PI3K-BRD4 inhibitor for the orthogonal inhibition of MYC to block tumor growth and metastasis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5U2E
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BU of 5u2e by Molmil
BRD4 first bromodomain (BD1) in complex with dual PI3 kinase (PI3K) inhibitor SF2535
Descriptor: Bromodomain-containing protein 4, ethyl 4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]benzoate
Authors:Andrews, F.H, Kutateladze, T.G.
Deposit date:2016-11-30
Release date:2017-02-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.991 Å)
Cite:Dual-activity PI3K-BRD4 inhibitor for the orthogonal inhibition of MYC to block tumor growth and metastasis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4QEL
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BU of 4qel by Molmil
Crystal Structure of Benzoylformate Decarboxylase Mutant H70A
Descriptor: 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ...
Authors:Andrews, F.H, Rogers, M.P, Brodkin, H.R, McLeish, M.J.
Deposit date:2014-05-16
Release date:2015-05-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.432 Å)
Cite:Structural investigation of benzoylformate decarboxylase active site variants
To be Published
4MPJ
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BU of 4mpj by Molmil
Phosphorylation of an active site threonine in the benzyolformate decarboxylase mutant S26T by phosphonate inactivation
Descriptor: Benzoylformate decarboxylase, CALCIUM ION, CHLORIDE ION, ...
Authors:Andrews, F.H, McLeish, M.J.
Deposit date:2013-09-12
Release date:2015-03-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Phosphorylation of an active site threonine in the benzyolformate decarboxylase mutant S26T by phosphonate inactivation
To be Published
4MPR
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BU of 4mpr by Molmil
Benzoylformate Decarboxylase: Is the tetramer vital for activity?
Descriptor: Benzoylformate decarboxylase, CALCIUM ION, CHLORIDE ION, ...
Authors:Andrews, F.H, McLeish, M.J.
Deposit date:2013-09-13
Release date:2014-08-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:Perturbation of the monomer-monomer interfaces of the benzoylformate decarboxylase tetramer.
Biochemistry, 53, 2014
4MPP
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BU of 4mpp by Molmil
Crystal Structure of Benzoylformate Decarboxylase Mutant H281Y/T377P/F397T/A460I
Descriptor: 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ...
Authors:Andrews, F.H, McLeish, M.J.
Deposit date:2013-09-13
Release date:2015-03-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:A pseudo study of thiamin diphosphate-dependent decarboxylases
To be Published
4MQ5
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BU of 4mq5 by Molmil
Crystal Structure of Benzoylformate Decarboxylase Mutant A306F
Descriptor: Benzoylformate decarboxylase, CALCIUM ION, SODIUM ION, ...
Authors:Andrews, F.H, McLeish, M.J.
Deposit date:2013-09-15
Release date:2014-08-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.502 Å)
Cite:Perturbation of the monomer-monomer interfaces of the benzoylformate decarboxylase tetramer.
Biochemistry, 53, 2014
4MZX
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BU of 4mzx by Molmil
Crystal Structure of Benzoylformate Decarboxylase Mutant T377L/A460Y
Descriptor: 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxlyase, CALCIUM ION, ...
Authors:Andrews, F.H, McLeish, M.J.
Deposit date:2013-09-30
Release date:2015-04-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.558 Å)
Cite:Mechanistic and structural insight to an evolved benzoylformate decarboxylase with enhanced activity towards pyruvate
To be Published
4Q9D
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BU of 4q9d by Molmil
X-ray structure of a putative thiamin diphosphate-dependent enzyme isolated from Mycobacterium smegmatis
Descriptor: Benzoylformate decarboxylase, FORMIC ACID, MAGNESIUM ION
Authors:Andrews, F.H, Horton, J.D, Yoon, H.J, Malik, A.M.K, Logsdon, M.G, Shin, D.H, Kneen, M.M, Suh, S.W, McLeish, M.J.
Deposit date:2014-04-30
Release date:2015-04-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The kinetic characterization and X-ray structure of a putative benzoylformate decarboxylase from M. smegmatis highlights the difficulties in the functional annotation of ThDP-dependent enzymes.
Biochim.Biophys.Acta, 1854, 2015
5D7E
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BU of 5d7e by Molmil
Crystal structure of Taf14 YEATS domain in complex with H3K9ac
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, H3K9ac, ...
Authors:Andrews, F.H, Shanle, E.K, Strahl, B.D, Kutateladze, T.G.
Deposit date:2015-08-13
Release date:2015-09-23
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Association of Taf14 with acetylated histone H3 directs gene transcription and the DNA damage response.
Genes Dev., 29, 2015
5SVX
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BU of 5svx by Molmil
MORC3 CW in complex with histone H3K4me3
Descriptor: H3K4me3, MORC family CW-type zinc finger protein 3, ZINC ION
Authors:Tong, Q, Andrews, F.H, Kutateladze, T.G.
Deposit date:2016-08-08
Release date:2016-10-05
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Multivalent Chromatin Engagement and Inter-domain Crosstalk Regulate MORC3 ATPase.
Cell Rep, 16, 2016
5SVY
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BU of 5svy by Molmil
MORC3 CW in complex with histone H3K4me1
Descriptor: ACETATE ION, H3K4me1, MORC family CW-type zinc finger protein 3, ...
Authors:Tong, Q, Andrews, F.H, Kutateladze, T.G.
Deposit date:2016-08-08
Release date:2016-10-05
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Multivalent Chromatin Engagement and Inter-domain Crosstalk Regulate MORC3 ATPase.
Cell Rep, 16, 2016
5SVI
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BU of 5svi by Molmil
MORC3 CW domain in complex with unmodified histone H3
Descriptor: ALA-ARG-THR-LYS-GLN-THR-ALA-ARG, MORC family CW-type zinc finger protein 3, ZINC ION
Authors:Tong, Q, Andrews, F.H, Kutateladze, T.G.
Deposit date:2016-08-06
Release date:2016-12-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.613 Å)
Cite:Multivalent Chromatin Engagement and Inter-domain Crosstalk Regulate MORC3 ATPase.
Cell Rep, 16, 2016
5TDW
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BU of 5tdw by Molmil
Set3 PHD finger in complex with histone H3K4me3
Descriptor: SET domain-containing protein 3, SODIUM ION, ZINC ION, ...
Authors:Andrews, F.H, Ali, M, Kutateladze, T.G.
Deposit date:2016-09-19
Release date:2016-10-19
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Insight into Recognition of Methylated Histone H3K4 by Set3.
J. Mol. Biol., 429, 2017
5TDR
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BU of 5tdr by Molmil
Set3 PHD finger in complex with histone H3K4me2
Descriptor: Histone H3, SET domain-containing protein 3, SODIUM ION, ...
Authors:Andrews, F.H, Ali, M, Kutateladze, T.G.
Deposit date:2016-09-19
Release date:2016-11-02
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Structural Insight into Recognition of Methylated Histone H3K4 by Set3.
J. Mol. Biol., 429, 2017
5U2J
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BU of 5u2j by Molmil
MORF double PHD finger (DPF) in complex with histone H3K14bu
Descriptor: Histone H3K14bu, Histone acetyltransferase KAT6B, ZINC ION
Authors:Andrews, F.H, Klein, B.J, Kutateladze, T.G.
Deposit date:2016-11-30
Release date:2017-04-12
Last modified:2017-04-19
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Recognition of Histone H3K14 Acylation by MORF.
Structure, 25, 2017
4JD5
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BU of 4jd5 by Molmil
Crystal Structure of Benzoylformate Decarboxylase Mutant L403E
Descriptor: 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ...
Authors:Novak, W.R.P, Andrews, F.H, Tom, A.R, Gunderman, P.R, McLeish, M.J.
Deposit date:2013-02-23
Release date:2013-05-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:A bulky hydrophobic residue is not required to maintain the v-conformation of enzyme-bound thiamin diphosphate.
Biochemistry, 52, 2013
4GM0
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BU of 4gm0 by Molmil
Crystal Structure of Benzoylformate Decarboxylase Mutant L403N
Descriptor: 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ...
Authors:Novak, W.R.P, Andrews, F.H, Tom, A.R, Gunderman, P.R, McLeish, M.J.
Deposit date:2012-08-15
Release date:2013-05-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:A bulky hydrophobic residue is not required to maintain the v-conformation of enzyme-bound thiamin diphosphate.
Biochemistry, 52, 2013
4GM1
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BU of 4gm1 by Molmil
Crystal Structure of Benzoylformate Decarboxylase Mutant L403S
Descriptor: 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ...
Authors:Novak, W.R.P, Andrews, F.H, Tom, A.R, Gunderman, P.R, McLeish, M.J.
Deposit date:2012-08-15
Release date:2013-05-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:A bulky hydrophobic residue is not required to maintain the v-conformation of enzyme-bound thiamin diphosphate.
Biochemistry, 52, 2013
4GG1
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BU of 4gg1 by Molmil
Crystal Structure of Benzoylformate Decarboxylase Mutant L403T
Descriptor: 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ...
Authors:Novak, W.R.P, Andrews, F.H, Tom, A.R, Gunderman, P.R, McLeish, M.J.
Deposit date:2012-08-04
Release date:2013-05-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.069 Å)
Cite:A bulky hydrophobic residue is not required to maintain the v-conformation of enzyme-bound thiamin diphosphate.
Biochemistry, 52, 2013
4GM4
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BU of 4gm4 by Molmil
Crystal Structure of Benzoylformate Decarboxylase Mutant L403I
Descriptor: 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ...
Authors:Novak, W.R.P, Andrews, F.H, Tom, A.R, Gunderman, P.R, McLeish, M.J.
Deposit date:2012-08-15
Release date:2013-05-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:A bulky hydrophobic residue is not required to maintain the v-conformation of enzyme-bound thiamin diphosphate.
Biochemistry, 52, 2013
4GPE
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BU of 4gpe by Molmil
Crystal Structure of Benzoylformate Decarboxylase Mutant L403M
Descriptor: 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ...
Authors:Novak, W.R.P, Andrews, F.H, Tom, A.R, Gunderman, P.R, McLeish, M.J.
Deposit date:2012-08-20
Release date:2013-05-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:A bulky hydrophobic residue is not required to maintain the v-conformation of enzyme-bound thiamin diphosphate.
Biochemistry, 52, 2013

 

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