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5DFP
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BU of 5dfp by Molmil
Crystal structure of PAK1 in complex with an inhibitor compound FRAX1036
Descriptor: 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-{[2-(1-methylpiperidin-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, DIMETHYL SULFOXIDE, Serine/threonine-protein kinase PAK 1
Authors:Maksimoska, J, Marmorstein, R, Wang, W.
Deposit date:2015-08-27
Release date:2016-01-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety.
Acs Med.Chem.Lett., 6, 2015
5WJD
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BU of 5wjd by Molmil
Crystal structure of Naa80 bound to acetyl-CoA
Descriptor: ACETYL COENZYME *A, CG8481, isoform B, ...
Authors:Goris, M, Magin, R.S, Marmorstein, R, Arnesen, T.
Deposit date:2017-07-21
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Structural determinants and cellular environment define processed actin as the sole substrate of the N-terminal acetyltransferase NAA80.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5WJE
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BU of 5wje by Molmil
Crystal structure of Naa80 bound to a bisubstrate analogue
Descriptor: Actin N-terminus peptide, CARBOXYMETHYL COENZYME *A, CG8481, ...
Authors:Goris, M, Magin, R.S, Marmorstein, R, Arnesen, T.
Deposit date:2017-07-21
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.765 Å)
Cite:Structural determinants and cellular environment define processed actin as the sole substrate of the N-terminal acetyltransferase NAA80.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4DAW
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BU of 4daw by Molmil
Crystal structure of PAK1 kinase domain with the ruthenium phthalimide complex
Descriptor: Serine/threonine-protein kinase PAK 1, [1,3-dioxo-6-(pyridin-2-yl-kappaN)-2,3-dihydro-1H-isoindol-5-yl-kappaC~5~][(thioxomethylidene)azanido-kappaN](1,4,7-trithionane-kappa~3~S~1~,S~4~,S~7~)ruthenium
Authors:Maksimoska, J, Marmorstein, R.
Deposit date:2012-01-13
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The art of filling protein pockets efficiently with octahedral metal complexes.
Angew.Chem.Int.Ed.Engl., 51, 2012
7LJ9
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BU of 7lj9 by Molmil
Structure of human ATP citrate lyase in complex with acetyl-CoA and oxaloacetate
Descriptor: ACETYL COENZYME *A, ATP-citrate synthase, OXALOACETATE ION
Authors:Wei, X, Marmorstein, R.
Deposit date:2021-01-28
Release date:2021-03-31
Last modified:2021-08-25
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Reply to: Acetyl-CoA is produced by the citrate synthase homology module of ATP-citrate lyase.
Nat.Struct.Mol.Biol., 28, 2021
4E26
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BU of 4e26 by Molmil
BRAF in complex with an organic inhibitor 7898734
Descriptor: 5-chloro-7-[(R)-furan-2-yl(pyridin-2-ylamino)methyl]quinolin-8-ol, Serine/threonine-protein kinase B-raf
Authors:Qin, J, Xie, P, Ventocilla, C, Zhou, G, Vultur, A, Chen, Q, Herlyn, M, Winkler, J, Marmorstein, R.
Deposit date:2012-03-07
Release date:2012-05-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Identification of a Novel Family of BRAF(V600E) Inhibitors.
J.Med.Chem., 55, 2012
3Q35
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BU of 3q35 by Molmil
Structure of the Rtt109-AcCoA/Vps75 complex and implications for chaperone-mediated histone acetylation
Descriptor: 1,2-ETHANEDIOL, ACETYL COENZYME *A, Histone acetyltransferase, ...
Authors:Tang, Y, Yuan, H, Meeth, K, Marmorstein, R.
Deposit date:2010-12-21
Release date:2011-02-02
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure of the Rtt109-AcCoA/Vps75 Complex and Implications for Chaperone-Mediated Histone Acetylation.
Structure, 19, 2011
3Q33
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BU of 3q33 by Molmil
Structure of the Rtt109-AcCoA/Vps75 Complex and Implications for Chaperone-Mediated Histone Acetylation
Descriptor: 1,2-ETHANEDIOL, ACETYL COENZYME *A, HISTONE H3, ...
Authors:Tang, Y, Yuan, H, Meeth, K, Marmorstein, R.
Deposit date:2010-12-21
Release date:2011-02-02
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the Rtt109-AcCoA/Vps75 Complex and Implications for Chaperone-Mediated Histone Acetylation.
Structure, 19, 2011
4EQC
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BU of 4eqc by Molmil
Crystal structure of PAK1 kinase domain in complex with FRAX597 inhibitor
Descriptor: 6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, CHLORIDE ION, Serine/threonine-protein kinase PAK 1
Authors:Maksimoska, J, Marmorstein, R.
Deposit date:2012-04-18
Release date:2013-08-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:FRAX597, a Small Molecule Inhibitor of the p21-activated Kinases, Inhibits Tumorigenesis of Neurofibromatosis Type 2 (NF2)-associated Schwannomas.
J.Biol.Chem., 288, 2013
3FY0
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BU of 3fy0 by Molmil
Crystal structure of PAK1 kinase domain with ruthenium complex DW1
Descriptor: Ruthenium pyridocarbazole, Serine/threonine-protein kinase PAK 1
Authors:Maksimoska, J, Marmorstein, R, Meggers, E.
Deposit date:2009-01-21
Release date:2009-03-03
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Targeting Large Kinase Active Site with Rigid, Bulky Octahedral Ruthenium Complexes
J.Am.Chem.Soc., 130, 2008
3FXZ
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BU of 3fxz by Molmil
Crystal structure of PAK1 kinase domain with ruthenium complex lambda-FL172
Descriptor: OCTAHEDRAL RU-PYRIDOCARBAZOLE, Serine/threonine-protein kinase PAK 1
Authors:Maksimoska, J, Marmorstein, R, Meggers, E.
Deposit date:2009-01-21
Release date:2009-02-17
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Targeting Large Kinase Active Site with Rigid, Bulky Octahedral Ruthenium Complexes
J.Am.Chem.Soc., 130, 2008
8F23
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BU of 8f23 by Molmil
The crystal structure of a rationally designed zinc sensor based on maltose binding protein - Apo conformation
Descriptor: Zinc Sensor protein
Authors:Zhao, Z, Zhou, M, Zemerov, S.d, Marmorstein, R, Dmochowski, I.J.
Deposit date:2022-11-06
Release date:2023-03-22
Last modified:2023-04-19
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Rational design of a genetically encoded NMR zinc sensor.
Chem Sci, 14, 2023
8ETB
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BU of 8etb by Molmil
the crystal structure of a rationally designed zinc sensor based on maltose binding protein - Zn binding conformation
Descriptor: ACETATE ION, ZINC ION, Zinc Sensor protein
Authors:Zhao, Z, Zhou, M, Zemerov, S.D, Marmorstein, R, Dmochowski, I.J.
Deposit date:2022-10-16
Release date:2023-03-22
Last modified:2023-04-19
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Rational design of a genetically encoded NMR zinc sensor.
Chem Sci, 14, 2023
8G0L
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BU of 8g0l by Molmil
Semi-synthetic CoA-alpha-Synuclein Constructs Trap N-terminal Acetyltransferase NatB for Binding Mechanism Studies
Descriptor: Alpha-synuclein, CARBOXYMETHYL COENZYME *A, N-alpha-acetyltransferase 20, ...
Authors:Gardner, S.M, Marmorstein, R.
Deposit date:2023-01-31
Release date:2023-05-03
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Semi-synthetic CoA-alpha-Synuclein Constructs Trap N-terminal Acetyltransferase NatB for Binding Mechanism Studies.
Biorxiv, 2023
8G5D
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BU of 8g5d by Molmil
Structure of ACLY-D1026A-products, local refinement of ASH domain
Descriptor: (3S)-citryl-Coenzyme A, ACETYL COENZYME *A, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Wei, X, Marmorstein, R.
Deposit date:2023-02-13
Release date:2023-05-10
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Allosteric role of the citrate synthase homology domain of ATP citrate lyase.
Nat Commun, 14, 2023
8G1F
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BU of 8g1f by Molmil
Structure of ACLY-D1026A-products
Descriptor: (3S)-citryl-Coenzyme A, ACETYL COENZYME *A, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Wei, X, Marmorstein, R.
Deposit date:2023-02-02
Release date:2023-05-10
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Allosteric role of the citrate synthase homology domain of ATP citrate lyase.
Nat Commun, 14, 2023
8G1E
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BU of 8g1e by Molmil
Structure of ACLY-D1026A-products-asym
Descriptor: (3S)-citryl-Coenzyme A, ACETYL COENZYME *A, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Wei, X, Marmorstein, R.
Deposit date:2023-02-02
Release date:2023-05-10
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Allosteric role of the citrate synthase homology domain of ATP citrate lyase.
Nat Commun, 14, 2023
4GS4
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BU of 4gs4 by Molmil
Structure of the alpha-tubulin acetyltransferase, alpha-TAT1
Descriptor: ACETYL COENZYME *A, Alpha-tubulin N-acetyltransferase
Authors:Friedmann, D.R, Fan, J, Marmorstein, R.
Deposit date:2012-08-27
Release date:2012-10-17
Last modified:2013-08-28
Method:X-RAY DIFFRACTION (2.112 Å)
Cite:Structure of the alpha-tubulin acetyltransferase, alpha TAT1, and implications for tubulin-specific acetylation.
Proc.Natl.Acad.Sci.USA, 109, 2012
1YGH
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BU of 1ygh by Molmil
HAT DOMAIN OF GCN5 FROM SACCHAROMYCES CEREVISIAE
Descriptor: GLYCEROL, PROTEIN (TRANSCRIPTIONAL ACTIVATOR GCN5)
Authors:Trievel, R.C, Rojas, J.R, Sterner, D.E, Venkataramani, R, Wang, L, Zhou, J, Allis, C.D, Berger, S.L, Marmorstein, R.
Deposit date:1999-05-27
Release date:1999-08-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure and mechanism of histone acetylation of the yeast GCN5 transcriptional coactivator.
Proc.Natl.Acad.Sci.USA, 96, 1999
6O07
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BU of 6o07 by Molmil
Structure and mechanism of acetylation by the N-terminal dual enzyme NatA/Naa50 complex
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETYL COENZYME *A, CHLORIDE ION, ...
Authors:Deng, S, Marmorstein, R.
Deposit date:2019-02-15
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.702 Å)
Cite:Structure and Mechanism of Acetylation by the N-Terminal Dual Enzyme NatA/Naa50 Complex.
Structure, 27, 2019
6POF
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BU of 6pof by Molmil
Structure of human ATP citrate lyase
Descriptor: ATP-citrate synthase
Authors:Wei, X, Marmorstein, R.
Deposit date:2019-07-03
Release date:2020-01-01
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Molecular basis for acetyl-CoA production by ATP-citrate lyase.
Nat.Struct.Mol.Biol., 27, 2020
6PPL
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BU of 6ppl by Molmil
Cryo-EM structure of human NatE complex (NatA/Naa50)
Descriptor: ACETYL COENZYME *A, INOSITOL HEXAKISPHOSPHATE, N-alpha-acetyltransferase 10, ...
Authors:Deng, S, Marmorstein, R.
Deposit date:2019-07-08
Release date:2020-02-19
Last modified:2020-10-14
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:Molecular basis for N-terminal acetylation by human NatE and its modulation by HYPK.
Nat Commun, 11, 2020
6PW9
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BU of 6pw9 by Molmil
Cryo-EM structure of human NatE/HYPK complex
Descriptor: ACETYL COENZYME *A, Huntingtin-interacting protein K, INOSITOL HEXAKISPHOSPHATE, ...
Authors:Deng, S, Marmorstein, R.
Deposit date:2019-07-22
Release date:2020-02-19
Last modified:2020-10-14
Method:ELECTRON MICROSCOPY (4.03 Å)
Cite:Molecular basis for N-terminal acetylation by human NatE and its modulation by HYPK.
Nat Commun, 11, 2020
3TOA
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BU of 3toa by Molmil
Human MOF crystal structure with active site lysine partially acetylated
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, ZINC ION, ...
Authors:Yuan, H, Ding, E.C, Marmorstein, R.
Deposit date:2011-09-04
Release date:2011-11-09
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.004 Å)
Cite:MYST protein acetyltransferase activity requires active site lysine autoacetylation.
Embo J., 31, 2011
3TO6
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BU of 3to6 by Molmil
Crystal structure of yeast Esa1 HAT domain complexed with H4K16CoA bisubstrate inhibitor
Descriptor: CARBOXYMETHYL COENZYME *A, Histone H4, Histone acetyltransferase ESA1
Authors:Yuan, H, Ding, E.C, Marmorstein, R.
Deposit date:2011-09-04
Release date:2011-11-09
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:MYST protein acetyltransferase activity requires active site lysine autoacetylation.
Embo J., 31, 2011

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