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6C9D
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BU of 6c9d by Molmil
Crystal structure of KA1-autoinhibited MARK1 kinase
Descriptor: Serine/threonine-protein kinase MARK1,Serine/threonine-protein kinase MARK1
Authors:Emptage, R.P, Marmorstein, R.
Deposit date:2018-01-26
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.499 Å)
Cite:Structural Basis for MARK1 Kinase Autoinhibition by Its KA1 Domain.
Structure, 26, 2018
2VLD
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BU of 2vld by Molmil
crystal structure of a repair endonuclease from Pyrococcus abyssi
Descriptor: Endonuclease NucS
Authors:Ren, B, Kuhn, J, Meslet-Cladiere, L, Briffotaux, J, Norais, C, Lavigne, R, Flament, D, Ladenstein, R, Myllykallio, H.
Deposit date:2008-01-14
Release date:2009-05-19
Last modified:2018-09-26
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and function of a novel endonuclease acting on branched DNA substrates.
EMBO J., 28, 2009
1JM1
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BU of 1jm1 by Molmil
Crystal structure of the soluble domain of the Rieske protein II (soxF) from Sulfolobus acidocaldarius
Descriptor: FE2/S2 (INORGANIC) CLUSTER, MAGNESIUM ION, Rieske iron-sulfur protein soxF
Authors:Boenisch, H, Schmidt, C.L, Schaefer, G, Ladenstein, R.
Deposit date:2001-07-17
Release date:2002-07-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:The structure of the soluble domain of an archaeal Rieske iron-sulfur protein at 1.1 A resolution.
J.Mol.Biol., 319, 2002
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
1B14
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BU of 1b14 by Molmil
Alcohol Dehydrogenase from Drosophila Lebanonensis Binary Complex with NAD+
Descriptor: ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Benach, J, Atrian, S, Gonzalez-Duarte, R, Ladenstein, R.
Deposit date:1998-11-25
Release date:1999-11-26
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The catalytic reaction and inhibition mechanism of Drosophila alcohol dehydrogenase: observation of an enzyme-bound NAD-ketone adduct at 1.4 A resolution by X-ray crystallography.
J.Mol.Biol., 289, 1999
8RWK
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BU of 8rwk by Molmil
cryoEM structure of the central Ald4 filament determined by FilamentID
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Potassium-activated aldehyde dehydrogenase, mitochondrial
Authors:Hugener, J, Xu, J, Wettstein, R, Ioannidi, L, Velikov, D, Wollweber, F, Henggeler, A, Matos, J, Pilhofer, M.
Deposit date:2024-02-05
Release date:2024-06-26
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:FilamentID reveals the composition and function of metabolic enzyme polymers during gametogenesis.
Cell, 187, 2024
5ICV
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BU of 5icv by Molmil
Crystal structure of human NatF (hNaa60) bound to a bisubstrate analogue
Descriptor: MET-LYS-ALA-VAL-LIG, N-alpha-acetyltransferase 60, [5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)furan-2-yl]methyl (3R)-4-{[3-({(E)-2-[(2,2-dihydroxyethyl)sulfanyl]ethenyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate
Authors:Stove, S.I, Magin, R.S, Marmorstein, R, Arnesen, T.
Deposit date:2016-02-23
Release date:2016-06-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Crystal Structure of the Golgi-Associated Human N alpha-Acetyltransferase 60 Reveals the Molecular Determinants for Substrate-Specific Acetylation.
Structure, 24, 2016
5ICW
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BU of 5icw by Molmil
Crystal structure of human NatF (hNaa60) homodimer bound to Coenzyme A
Descriptor: CHLORIDE ION, COENZYME A, N-alpha-acetyltransferase 60
Authors:Stove, S.I, Magin, R.S, Marmorstein, R, Arnesen, T.
Deposit date:2016-02-23
Release date:2016-06-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.951 Å)
Cite:Crystal Structure of the Golgi-Associated Human N alpha-Acetyltransferase 60 Reveals the Molecular Determinants for Substrate-Specific Acetylation.
Structure, 24, 2016
2IV0
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BU of 2iv0 by Molmil
Thermal stability of isocitrate dehydrogenase from Archaeoglobus fulgidus studied by crystal structure analysis and engineering of chimers
Descriptor: CHLORIDE ION, ISOCITRATE DEHYDROGENASE, ZINC ION
Authors:Stokke, R, Karlstrom, M, Yang, N, Leiros, I, Ladenstein, R, Birkeland, N.K, Steen, I.H.
Deposit date:2006-06-08
Release date:2007-04-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Thermal Stability of Isocitrate Dehydrogenase from Archaeoglobus Fulgidus Studied by Crystal Structure Analysis and Engineering of Chimers
Extremophiles, 11, 2007
5J8C
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BU of 5j8c by Molmil
Human MOF C316S, E350Q crystal structure
Descriptor: CHLORIDE ION, Histone acetyltransferase KAT8, SODIUM ION, ...
Authors:McCullough, C.E, Marmorstein, R.
Deposit date:2016-04-07
Release date:2016-07-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structural and Functional Role of Acetyltransferase hMOF K274 Autoacetylation.
J.Biol.Chem., 291, 2016
5J8F
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BU of 5j8f by Molmil
Human MOF K274P crystal structure
Descriptor: CHLORIDE ION, Histone acetyltransferase KAT8, ZINC ION
Authors:McCullough, C.E, Marmorstein, R.
Deposit date:2016-04-07
Release date:2016-07-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and Functional Role of Acetyltransferase hMOF K274 Autoacetylation.
J.Biol.Chem., 291, 2016
8RWJ
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BU of 8rwj by Molmil
cryoEM structure of Acs1 filament determined by FilamentID
Descriptor: Acetyl-coenzyme A synthetase, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] ethanoate
Authors:Hugener, J, Xu, J, Wettstein, R, Ioannidi, L, Velikov, D, Wollweber, F, Henggeler, A, Matos, J, Pilhofer, M.
Deposit date:2024-02-05
Release date:2024-06-26
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:FilamentID reveals the composition and function of metabolic enzyme polymers during gametogenesis.
Cell, 187, 2024
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:2024-05-22
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:2024-05-22
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Rational design of a genetically encoded NMR zinc sensor.
Chem Sci, 14, 2023
1Q17
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BU of 1q17 by Molmil
Structure of the yeast Hst2 protein deacetylase in ternary complex with 2'-O-acetyl ADP ribose and histone peptide
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, CHLORIDE ION, HST2 protein, ...
Authors:Zhao, K, Chai, X, Marmorstein, R.
Deposit date:2003-07-18
Release date:2003-11-18
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of the Yeast Hst2 Protein Deacetylase in Ternary Complex with 2'-O-Acetyl ADP Ribose and Histone Peptide.
Structure, 11, 2003
5JRQ
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BU of 5jrq by Molmil
BRAFV600E Kinase Domain In Complex with Chemically Linked Vemurafenib Inhibitor VEM-6-VEM
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, N-{2,4-difluoro-3-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl}propane-1-sulfonamide, ...
Authors:Grasso, M.J, Marmorstein, R.
Deposit date:2016-05-06
Release date:2016-09-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.287 Å)
Cite:Chemically Linked Vemurafenib Inhibitors Promote an Inactive BRAF(V600E) Conformation.
Acs Chem.Biol., 11, 2016
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
5JSM
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BU of 5jsm by Molmil
BRAFV600E Kinase Domain In Complex with Chemically Linked Vemurafenib Inhibitor VEM-3-VEM
Descriptor: BENZAMIDINE, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Grasso, M.J, Marmorstein, R.
Deposit date:2016-05-08
Release date:2016-09-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Chemically Linked Vemurafenib Inhibitors Promote an Inactive BRAF(V600E) Conformation.
Acs Chem.Biol., 11, 2016
1Q1A
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BU of 1q1a by Molmil
Structure of the yeast Hst2 protein deacetylase in ternary complex with 2'-O-acetyl ADP ribose and histone peptide
Descriptor: 2'-O-ACETYL ADENOSINE-5-DIPHOSPHORIBOSE, HST2 protein, Histone H4, ...
Authors:Zhao, K, Chai, X, Marmorstein, R.
Deposit date:2003-07-18
Release date:2003-11-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of the yeast Hst2 protein deacetylase in ternary complex with 2'-O-Acetyl ADP ribose and histone peptide.
Structure, 11, 2003
1IHB
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BU of 1ihb by Molmil
CRYSTAL STRUCTURE OF P18-INK4C(INK6)
Descriptor: CYCLIN-DEPENDENT KINASE 6 INHIBITOR
Authors:Ravichandran, V, Swaminathan, K, Marmorstein, R.
Deposit date:1997-10-25
Release date:1998-12-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of the CDK4/6 inhibitory protein p18INK4c provides insights into ankyrin-like repeat structure/function and tumor-derived p16INK4 mutations.
Nat.Struct.Biol., 5, 1998
1GMY
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BU of 1gmy by Molmil
Cathepsin B complexed with dipeptidyl nitrile inhibitor
Descriptor: 2-AMINOETHANIMIDIC ACID, 3-METHYLPHENYLALANINE, CATHEPSIN B, ...
Authors:Greenspan, P.D, Clark, K.L, Tommasi, R.A, Cowen, S.D, McQuire, L.W, Farley, D.L, van Duzer, J.H, Goldberg, R.L, Zhou, H, Du, Z, Fitt, J.J, Coppa, D.E, Fang, Z, Macchia, W, Zhu, L, Capparelli, M.P, Goldstein, R, Wigg, A.M, Doughty, J.R, Bohacek, R.S, Knap, A.K.
Deposit date:2001-09-25
Release date:2002-09-19
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification of Dipeptidyl Nitriles as Potent and Selective Inhibitors of Cathepsin B Through Structure-Based Drug Design
J.Med.Chem., 44, 2001
1RVV
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BU of 1rvv by Molmil
SYNTHASE/RIBOFLAVIN SYNTHASE COMPLEX OF BACILLUS SUBTILIS
Descriptor: 5-NITRO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE, PHOSPHATE ION, RIBOFLAVIN SYNTHASE
Authors:Ritsert, K, Huber, R, Turk, D, Ladenstein, R, Schmidt-Baese, K, Bacher, A.
Deposit date:1995-10-25
Release date:1996-12-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Studies on the lumazine synthase/riboflavin synthase complex of Bacillus subtilis: crystal structure analysis of reconstituted, icosahedral beta-subunit capsids with bound substrate analogue inhibitor at 2.4 A resolution.
J.Mol.Biol., 253, 1995
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
7RB3
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BU of 7rb3 by Molmil
Cryo-EM structure of human binary NatC complex with a Bisubstrate inhibitor
Descriptor: CARBOXYMETHYL COENZYME *A, LEUCINE, METHIONINE, ...
Authors:Deng, S, Marmorstein, R.
Deposit date:2021-07-05
Release date:2023-01-11
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Molecular role of NAA38 in thermostability and catalytic activity of the human NatC N-terminal acetyltransferase.
Structure, 31, 2023
7RIG
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BU of 7rig by Molmil
Structure of ACLY-D1026A-substrates
Descriptor: (3S)-citryl-Coenzyme A, ADENOSINE-5'-DIPHOSPHATE, ATP-citrate synthase, ...
Authors:Wei, X, Marmorstein, R.
Deposit date:2021-07-19
Release date:2023-05-10
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Allosteric role of the citrate synthase homology domain of ATP citrate lyase.
Nat Commun, 14, 2023

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