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6X2Y
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BU of 6x2y by Molmil
Crystal Structure of mDia2NES peptide bound to CRM1(E571K)
Descriptor: 1,2-ETHANEDIOL, Exportin-1, GLYCEROL, ...
Authors:Baumhardt, J.M.
Deposit date:2020-05-21
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.304 Å)
Cite:Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation.
Mol.Biol.Cell, 31, 2020
5K0M
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BU of 5k0m by Molmil
Targeting the PRC2 complex through a novel protein-protein interaction inhibitor of EED
Descriptor: (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-{4-[4-(methylsulfonyl)piperazin-1-yl]phenyl}pyrrolidin-3-amine, Polycomb protein EED
Authors:Jakob, C.G, Bigelow, L.J, Zhu, H, Sun, C.
Deposit date:2016-05-17
Release date:2017-01-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:The EED protein-protein interaction inhibitor A-395 inactivates the PRC2 complex.
Nat. Chem. Biol., 13, 2017
5F8V
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BU of 5f8v by Molmil
Crystal structure of PLP bound phosphoserine aminotransferase (PSAT) from Trichomonas vaginalis
Descriptor: Aminotransferase, class V family protein
Authors:Singh, R.K, Gourinath, S.
Deposit date:2015-12-09
Release date:2016-10-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structural investigation and inhibitory response of halide on phosphoserine aminotransferase from Trichomonas vaginalis.
Biochim.Biophys.Acta, 1860, 2016
5IVL
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BU of 5ivl by Molmil
CshA Helicase
Descriptor: DEAD-box ATP-dependent RNA helicase CshA, SULFATE ION
Authors:Huen, J, Lin, C.-L, Yi, W.-L, Li, C.-L, Yuan, H.
Deposit date:2016-03-21
Release date:2017-03-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Insights into a Unique Dimeric DEAD-Box Helicase CshA that Promotes RNA Decay.
Structure, 25, 2017
4RG5
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BU of 4rg5 by Molmil
Crystal Structure of S. Pombe SMN YG-Dimer
Descriptor: MALONATE ION, Maltose-binding periplasmic protein, Survival Motor Neuron protein chimera, ...
Authors:Gupta, K, Martin, R.S, Sarachan, K.L, Sharp, B, Van Duyne, G.D.
Deposit date:2014-09-29
Release date:2015-07-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Oligomeric Properties of Survival Motor NeuronGemin2 Complexes.
J.Biol.Chem., 290, 2015
5KJ2
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BU of 5kj2 by Molmil
The novel p300/CBP inhibitor A-485 uncovers a unique mechanism of action to target AR in castrate resistant prostate cancer
Descriptor: Histone acetyltransferase p300, N-[(4-fluorophenyl)methyl]-2-{(1R)-5-[(methylcarbamoyl)amino]-2',4'-dioxo-2,3-dihydro-3'H-spiro[indene-1,5'-[1,3]oxazolidin]-3'-yl}-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide, SODIUM ION
Authors:Jakob, C.G, Qiu, W, Edalji, R.P, Sun, C.
Deposit date:2016-06-17
Release date:2017-09-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of a selective catalytic p300/CBP inhibitor that targets lineage-specific tumours.
Nature, 550, 2017
6X2S
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BU of 6x2s by Molmil
Crystal Structure of Mek1(NQ)NES peptide bound to CRM
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, Exportin-1, GLYCEROL, ...
Authors:Baumhardt, J.M.
Deposit date:2020-05-20
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.496 Å)
Cite:Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation.
Mol.Biol.Cell, 31, 2020
5EUQ
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BU of 5euq by Molmil
Crystal structure of an engineered construct of phosphatidylinositol 4 kinase III beta with a potent and selective inhibitor in complex with GDP loaded Rab11
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Phosphatidylinositol 4-kinase beta, Ras-related protein Rab-11A, ...
Authors:Burke, J.E, Fowler, M.L.
Deposit date:2015-11-19
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Design and Structural Characterization of Potent and Selective Inhibitors of Phosphatidylinositol 4 Kinase III beta.
J.Med.Chem., 59, 2016
6X2M
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BU of 6x2m by Molmil
Crystal Structure of unliganded CRM1-Ran-RanBP1
Descriptor: Exportin-1, GLYCEROL, GTP-binding nuclear protein Ran, ...
Authors:Baumhardt, J.M.
Deposit date:2020-05-20
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.351 Å)
Cite:Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation.
Mol.Biol.Cell, 31, 2020
5GP7
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BU of 5gp7 by Molmil
Structural basis for the binding between Tankyrase-1 and USP25
Descriptor: GLYCEROL, Tankyrase-1, Ubiquitin carboxyl-terminal hydrolase 25
Authors:Liu, J, Xu, D, Fu, T, Pan, L.
Deposit date:2016-08-01
Release date:2017-07-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.502 Å)
Cite:USP25 regulates Wnt signaling by controlling the stability of tankyrases
Genes Dev., 31, 2017
5IA8
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BU of 5ia8 by Molmil
Structure of a Ubiquitin like protein with an E1 fragment
Descriptor: Ubiquitin-like modifier-activating enzyme 5,Ubiquitin-fold modifier 1
Authors:Oweis, W, Padala, P, Wiener, R.
Deposit date:2016-02-21
Release date:2017-03-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Novel insights into the interaction of UBA5 with UFM1 via a UFM1-interacting sequence.
Sci Rep, 7, 2017
5MXQ
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BU of 5mxq by Molmil
Crystal Structure of the Acquired VIM-2 Metallo-beta-Lactamase in Complex with ANT-90 Inhibitor
Descriptor: 3-(phenylsulfonylamino)pyridine-2-carboxylic acid, ACETATE ION, Beta-lactamase VIM-2, ...
Authors:Docquier, J.D, De Luca, F, Benvenuti, M, Di Pisa, F, Pozzi, C, Mangani, S.
Deposit date:2017-01-24
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:SAR Studies Leading to the Identification of a Novel Series of Metallo-beta-lactamase Inhibitors for the Treatment of Carbapenem-Resistant Enterobacteriaceae Infections That Display Efficacy in an Animal Infection Model.
Acs Infect Dis., 5, 2019
5MXR
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BU of 5mxr by Molmil
Crystal Structure of the Acquired VIM-2 Metallo-beta-Lactamase in Complex with ANT-330 Inhibitor
Descriptor: 5-(phenylsulfonylamino)-1,3-thiazole-4-carboxylic acid, ACETATE ION, Beta-lactamase VIM-2, ...
Authors:Docquier, J.D, De Luca, F, Benvenuti, M, Di Pisa, F, Pozzi, C, Mangani, S.
Deposit date:2017-01-24
Release date:2018-03-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:SAR Studies Leading to the Identification of a Novel Series of Metallo-beta-lactamase Inhibitors for the Treatment of Carbapenem-Resistant Enterobacteriaceae Infections That Display Efficacy in an Animal Infection Model.
Acs Infect Dis., 5, 2019
3HHB
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BU of 3hhb by Molmil
THE CRYSTAL STRUCTURE OF HUMAN DEOXYHAEMOGLOBIN AT 1.74 ANGSTROMS RESOLUTION
Descriptor: HEMOGLOBIN (DEOXY) (ALPHA CHAIN), HEMOGLOBIN (DEOXY) (BETA CHAIN), PHOSPHATE ION, ...
Authors:Fermi, G, Perutz, M.F.
Deposit date:1984-03-07
Release date:1984-07-18
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:The crystal structure of human deoxyhaemoglobin at 1.74 A resolution
J.Mol.Biol., 175, 1984
5U8A
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BU of 5u8a by Molmil
Polycomb protein EED in complex with inhibitor: (3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine
Descriptor: (3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine, Polycomb protein EED
Authors:Jakob, C.G, Zhu, H.
Deposit date:2016-12-14
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
5U6D
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BU of 5u6d by Molmil
Polycomb protein EED in complex with inhibitor: 2-[4-(4-{(3S,4R)-4-(dimethylamino)-1-[(2-fluoro-6-methylphenyl)methyl]pyrrolidin-3-yl}phenyl)-1H-pyrazol-1-yl]acetamide
Descriptor: 2-[4-(4-{(3S,4R)-4-(dimethylamino)-1-[(2-fluoro-6-methylphenyl)methyl]pyrrolidin-3-yl}phenyl)-1H-pyrazol-1-yl]acetamide, Polycomb protein EED
Authors:Jakob, C.G, Zhu, H.
Deposit date:2016-12-07
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
5U8F
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BU of 5u8f by Molmil
Polycomb protein EED in complex with inhibitor: (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine
Descriptor: (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine, Polycomb protein EED
Authors:Jakob, C.G, Zhu, H.
Deposit date:2016-12-14
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.343 Å)
Cite:SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
5U69
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BU of 5u69 by Molmil
Polycomb protein EED in complex with inhibitor: (3R,4S)-1-[(2-methoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine
Descriptor: (3R,4S)-1-[(2-methoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine, Polycomb protein EED
Authors:Jakob, C.G, Zhu, H.
Deposit date:2016-12-07
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
3FMZ
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BU of 3fmz by Molmil
Crystal Structure of Retinol-Binding Protein 4 (RBP4) in complex with non-retinoid ligand
Descriptor: 2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid, Retinol-binding protein 4
Authors:Wang, Z, Johnstone, S, Walker, N.P.
Deposit date:2008-12-22
Release date:2009-01-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification and Characterization of a Non-retinoid Ligand for Retinol-binding Protein 4 Which Lowers Serum Retinol-binding Protein 4 Levels in Vivo.
J.Biol.Chem., 284, 2009
5XGU
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BU of 5xgu by Molmil
Escherichia coli. RNase R
Descriptor: MAGNESIUM ION, Ribonuclease R
Authors:Chu, L.Y, Hsieh, T.J, Yuan, H.S.
Deposit date:2017-04-17
Release date:2017-10-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.846 Å)
Cite:Structural insights into RNA unwinding and degradation by RNase R.
Nucleic Acids Res., 45, 2017
6FGP
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BU of 6fgp by Molmil
NMR solution structure of monomeric CCL5 in complex with a doubly-sulfated N-terminal segment of CCR5
Descriptor: C-C chemokine receptor type 5, C-C motif chemokine 5
Authors:Anglister, J, Abayev, M.
Deposit date:2018-01-11
Release date:2018-04-18
Last modified:2022-03-30
Method:SOLUTION NMR
Cite:The solution structure of monomeric CCL5 in complex with a doubly sulfated N-terminal segment of CCR5.
FEBS J., 285, 2018
2KRL
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BU of 2krl by Molmil
The ensemble of the solution global structures of the 102-nt ribosome binding structure element of the turnip crinkle virus 3' UTR RNA
Descriptor: RNA (102-MER)
Authors:Zuo, X, Wang, J, Yu, P, Eyler, D, Xu, H, Starich, M, Tiede, D, Simon, A, Kasprzak, W, Schwieters, C, Shapiro, B.
Deposit date:2009-12-18
Release date:2011-02-09
Last modified:2024-05-01
Method:SOLUTION NMR, SOLUTION SCATTERING
Cite:Solution structure of the cap-independent translational enhancer and ribosome-binding element in the 3' UTR of turnip crinkle virus.
Proc.Natl.Acad.Sci.USA, 107, 2010
2HHB
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BU of 2hhb by Molmil
THE CRYSTAL STRUCTURE OF HUMAN DEOXYHAEMOGLOBIN AT 1.74 ANGSTROMS RESOLUTION
Descriptor: HEMOGLOBIN (DEOXY) (ALPHA CHAIN), HEMOGLOBIN (DEOXY) (BETA CHAIN), PHOSPHATE ION, ...
Authors:Fermi, G, Perutz, M.F.
Deposit date:1984-03-07
Release date:1984-07-18
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:The crystal structure of human deoxyhaemoglobin at 1.74 A resolution
J.Mol.Biol., 175, 1984
2K9P
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BU of 2k9p by Molmil
Structure of TM1_TM2 in LPPG micelles
Descriptor: Pheromone alpha factor receptor
Authors:Neumoin, N, Zerbe, O, Naider, F.
Deposit date:2008-10-21
Release date:2009-05-05
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Structure of a double transmembrane fragment of a G-protein-coupled receptor in micelles.
Biophys.J., 96, 2009
2KNV
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BU of 2knv by Molmil
NMR dimer structure of the UBA domain of p62 (SQSTM1)
Descriptor: Sequestosome-1
Authors:Long, J.E, Searle, M.S.
Deposit date:2009-09-04
Release date:2009-12-15
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Dimerisation of the UBA Domain of p62 Inhibits Ubiquitin Binding and Regulates NF-kappaB Signalling
J.Mol.Biol., 2009

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