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4NRT
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BU of 4nrt by Molmil
Human Norovirus polymerase bound to Compound 6 (suramin derivative)
Descriptor: 4-({4-methyl-3-[(3-nitrobenzoyl)amino]benzoyl}amino)naphthalene-1,5-disulfonic acid, hNV-RdRp
Authors:Croci, R, Pezzullo, M, Tarantino, D, Mastrangelo, E, Milani, M, Bolognesi, M.
Deposit date:2013-11-27
Release date:2014-10-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.022 Å)
Cite:Structural bases of norovirus RNA dependent RNA polymerase inhibition by novel suramin-related compounds.
Plos One, 9, 2014
6M8Z
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BU of 6m8z by Molmil
Crystal structure of human DJ-1 without a modification on Cys-106
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1
Authors:Shumilin, I.A, Shabalin, I.G, Shumilina, S.V, Werenskjold, C, Utepbergenov, D, Minor, W.
Deposit date:2018-08-22
Release date:2018-09-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:A transient post-translational modification of active site cysteine alters binding properties of the parkinsonism protein DJ-1.
Biochem. Biophys. Res. Commun., 504, 2018
4QPI
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BU of 4qpi by Molmil
Crystal structure of hepatitis A virus
Descriptor: CHLORIDE ION, Capsid protein VP1, Capsid protein VP2, ...
Authors:Wang, X, Ren, J, Gao, Q, Hu, Z, Sun, Y, Li, X, Rowlands, D.J, Yin, W, Wang, J, Stuart, D.I, Rao, Z, Fry, E.E.
Deposit date:2014-06-23
Release date:2014-10-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Hepatitis A virus and the origins of picornaviruses.
Nature, 517, 2015
3GIB
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BU of 3gib by Molmil
Crystal Structure of the Complex of the E. coli Hfq with Poly(A)
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5'-R(P*AP*AP*AP*AP*AP*AP*AP*AP*A)-3', Protein hfq
Authors:Link, T.M, Valentin-Hansen, P, Brennan, R.G.
Deposit date:2009-03-05
Release date:2009-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of Escherichia coli Hfq bound to polyriboadenylate RNA
Proc.Natl.Acad.Sci.USA, 106, 2009
4G2H
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BU of 4g2h by Molmil
Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor
Descriptor: (3E,5E)-6-(3-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}phenyl)-1,1,1-trifluoro-2-(trifluoromethyl)octa-3,5-dien-2-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
Authors:Ciesielski, F, Sato, Y, Moras, D, Rochel, N.
Deposit date:2012-07-12
Release date:2012-09-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor.
J.Med.Chem., 55, 2012
4QTE
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BU of 4qte by Molmil
Structure of ERK2 in complex with VTX-11e, 4-{2-[(2-CHLORO-4-FLUOROPHENYL)AMINO]-5-METHYLPYRIMIDIN-4-YL}-N-[(1S)-1-(3-CHLOROPHENYL)-2-HYDROXYETHYL]-1H-PYRROLE-2-CARBOXAMIDE
Descriptor: 1,2-ETHANEDIOL, 4-{2-[(2-chloro-4-fluorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide, CHLORIDE ION, ...
Authors:Chaikuad, A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2014-07-07
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A unique inhibitor binding site in ERK1/2 is associated with slow binding kinetics.
Nat.Chem.Biol., 10, 2014
4LKL
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BU of 4lkl by Molmil
Crystal structure of Plk1 Polo-box domain in complex with PL-55
Descriptor: ADAMANTANE, PL-55, Serine/threonine-protein kinase PLK1
Authors:Lee, W.C, Song, J.H, Kim, H.Y.
Deposit date:2013-07-08
Release date:2013-12-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Exploring the binding nature of pyrrolidine pocket-dependent interactions in the polo-box domain of polo-like kinase 1
Plos One, 8, 2013
6ZLY
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BU of 6zly by Molmil
Crystal structure of the complex between PPARgamma LBD and the ligand NV1362 (7a)
Descriptor: (2~{S})-2-[(4-hexoxyphenyl)carbonylamino]-3-methyl-butanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Capelli, D.
Deposit date:2020-07-01
Release date:2020-11-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:A Novel N-Substituted Valine Derivative with Unique Peroxisome Proliferator-Activated Receptor gamma Binding Properties and Biological Activities.
J.Med.Chem., 63, 2020
4QTA
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BU of 4qta by Molmil
Structure of human ERK2 in complex with SCH772984 revealing a novel inhibitor-induced binding pocket
Descriptor: (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, ...
Authors:Chaikuad, A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2014-07-07
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:A unique inhibitor binding site in ERK1/2 is associated with slow binding kinetics.
Nat.Chem.Biol., 10, 2014
6IG9
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BU of 6ig9 by Molmil
Tra1 subunit from Saccharomyces cerevisiae SAGA complex
Descriptor: Transcription-associated protein 1
Authors:Zheng, X.D, Liu, G.C, Guan, H.P, Li, H.T.
Deposit date:2018-09-25
Release date:2019-05-15
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Architecture ofSaccharomyces cerevisiaeSAGA complex.
Cell Discov, 5, 2019
4GU5
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BU of 4gu5 by Molmil
Structure of Full-length Drosophila Cryptochrome
Descriptor: Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION
Authors:Zoltowski, B.D, Vaidya, A.T, Top, D, Widom, J, Young, M.W, Levy, C, Jones, A.R, Scrutton, N.S, Leys, D, Crane, B.R.
Deposit date:2012-08-29
Release date:2012-09-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Updated structure of Drosophila cryptochrome.
Nature, 495, 2013
4LL0
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BU of 4ll0 by Molmil
EGFR L858R/T790M in complex with PD168393
Descriptor: Epidermal growth factor receptor, N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}propanamide
Authors:Yun, C.H, Eck, M.J.
Deposit date:2013-07-09
Release date:2013-09-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (4 Å)
Cite:Mechanism for activation of mutated epidermal growth factor receptors in lung cancer.
Proc.Natl.Acad.Sci.USA, 110, 2013
3JSS
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BU of 3jss by Molmil
Crystal structure of a mutant RelB dimerization domain
Descriptor: Transcription factor RelB
Authors:Vu, D, Huang, D.B, Ghosh, G.
Deposit date:2009-09-10
Release date:2010-11-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A structural basis for selective dimerization by NF-kappa B RelB.
J.Mol.Biol., 425, 2013
3JYA
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BU of 3jya by Molmil
Discovery of 3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-ones as Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors
Descriptor: 6,9-dichloro[1]benzothieno[3,2-d]pyrimidin-4(3H)-one, Proto-oncogene serine/threonine-protein kinase Pim-1
Authors:Stoll, V.S.
Deposit date:2009-09-21
Release date:2009-11-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of 3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-ones as Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors
TO BE PUBLISHED
2NRZ
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BU of 2nrz by Molmil
Crystal structure of the C-terminal half of UvrC bound to its catalytic divalent cation
Descriptor: MANGANESE (II) ION, UvrABC system protein C
Authors:Karakas, E, Truglio, J.J, Kisker, C.
Deposit date:2006-11-02
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the C-terminal half of UvrC reveals an RNase H endonuclease domain with an Argonaute-like catalytic triad.
Embo J., 26, 2007
8BBG
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BU of 8bbg by Molmil
Structure of the IFT-A complex; anterograde IFT-A train model
Descriptor: Intraflagellar transport protein 122 homolog, Intraflagellar transport protein 140 homolog, Intraflagellar transport protein 43 homolog, ...
Authors:Hesketh, S.J, Mukhopadhyay, A.G, Nakamura, D, Toropova, K, Roberts, A.J.
Deposit date:2022-10-12
Release date:2022-12-21
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:IFT-A structure reveals carriages for membrane protein transport into cilia.
Cell, 185, 2022
2ICP
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BU of 2icp by Molmil
Crystal structure of the bacterial antitoxin HigA from Escherichia coli at pH 4.0. Northeast Structural Genomics Consortium TARGET ER390.
Descriptor: MAGNESIUM ION, antitoxin higa
Authors:Arbing, M.A, Abashidze, M, Hurley, J.M, Zhao, L, Janjua, H, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Inouye, M, Woychik, N.A, Montelione, G.T, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-09-13
Release date:2006-09-26
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structure of the bacterial antitoxin HigA from Escherichia coli.
To be Published
8BBE
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BU of 8bbe by Molmil
Structure of the IFT-A complex; IFT-A2 module
Descriptor: Intraflagellar transport protein 122 homolog, Intraflagellar transport protein 43 homolog, SNAP-tag,Tetratricopeptide repeat protein 21B, ...
Authors:Hesketh, S.J, Mukhopadhyay, A.G, Nakamura, D, Toropova, K, Roberts, A.J.
Deposit date:2022-10-12
Release date:2022-12-21
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:IFT-A structure reveals carriages for membrane protein transport into cilia.
Cell, 185, 2022
7LRU
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BU of 7lru by Molmil
Crystal structure of SFPQ-NONO-SFPQ chimeric protein homodimer
Descriptor: Splicing factor, proline- and glutamine-rich,Isoform 2 of Non-POU domain-containing octamer-binding protein,Isoform Short of Splicing factor, proline- and glutamine-rich
Authors:Marshall, A.C, Bond, C.S, Mohnen, I, Knott, G.J.
Deposit date:2021-02-17
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of SFPQ-NONO-SFPQ chimeric protein homodimer
To Be Published
3IXS
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BU of 3ixs by Molmil
Ring1B C-terminal domain/RYBP C-terminal domain Complex
Descriptor: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, E3 ubiquitin-protein ligase RING2, ...
Authors:Wang, R, Taylor, A.B, Kim, C.A.
Deposit date:2009-09-04
Release date:2010-08-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Polycomb Group Targeting through Different Binding Partners of RING1B C-Terminal Domain.
Structure, 18, 2010
7LH5
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BU of 7lh5 by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with plazomicin, mRNA and tRNAs
Descriptor: (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-{[(2S,3R)-3-amino-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2H-pyran-2-y l]oxy}-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-2-hydroxybutanamide, 16S ribosomal RNA, 23S ribosomal RNA, ...
Authors:Golkar, T, Berghuis, A.M, Schmeing, T.M.
Deposit date:2021-01-21
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.27 Å)
Cite:Structural basis for plazomicin antibiotic action and resistance.
Commun Biol, 4, 2021
4RCN
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BU of 4rcn by Molmil
Structure and function of a single-chain, multi-domain long-chain acyl-coa carboxylase
Descriptor: long-chain acyl-CoA carboxylase
Authors:Tran, T.H, Tong, L.
Deposit date:2014-09-16
Release date:2014-11-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Structure and function of a single-chain, multi-domain long-chain acyl-CoA carboxylase.
Nature, 518, 2015
6ZR2
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BU of 6zr2 by Molmil
Cryo-EM structure of respiratory complex I in the active state from Mus musculus at 3.1 A
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Bridges, H.R, Blaza, J.N, Agip, A.N.A, Hirst, J.
Deposit date:2020-07-10
Release date:2020-10-21
Last modified:2020-10-28
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of inhibitor-bound mammalian complex I.
Nat Commun, 11, 2020
7D8C
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BU of 7d8c by Molmil
Crystal structure of the Cas12i1-crRNA binary complex
Descriptor: 12i1, CITRIC ACID, RNA (3-MER), ...
Authors:Zhang, B, Luo, D.Y, Li, Y, OuYang, S.Y.
Deposit date:2020-10-07
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Mechanistic insights into the R-loop formation and cleavage in CRISPR-Cas12i1.
Nat Commun, 12, 2021
2NRX
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BU of 2nrx by Molmil
Crystal structure of the C-terminal half of UvrC, in the presence of sulfate molecules
Descriptor: GLYCEROL, SULFATE ION, UvrABC system protein C
Authors:Karakas, E, Truglio, J.J, Kisker, C.
Deposit date:2006-11-02
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the C-terminal half of UvrC reveals an RNase H endonuclease domain with an Argonaute-like catalytic triad.
Embo J., 26, 2007

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