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5FV8
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BU of 5fv8 by Molmil
Structure of cJun-FosW coiled coil complex.
Descriptor: CJUN, FOSW, GLYCEROL, ...
Authors:Zaccai, N.R, Mason, J.M, Brady, R.L.
Deposit date:2016-02-03
Release date:2017-06-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Helix-Constrained Fos-Based Peptides Inhibit Oncogenic Activator Protein-1 and Cancer Cell Proliferation
To be Published
6YA4
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BU of 6ya4 by Molmil
Crystal structure of PnrA from S. pneumoniae in complex with cytidine
Descriptor: 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Batuecas, M.T, Hermoso, J.A.
Deposit date:2020-03-11
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure and Pathophysiological Role of the Pneumococcal Nucleoside-binding Protein PnrA.
J.Mol.Biol., 433, 2021
7KYM
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BU of 7kym by Molmil
Crystal structure of the MarR family transcriptional regulator from Bradyrhizobium japonicum
Descriptor: MarR family transcriptional regulator, PHOSPHATE ION
Authors:Walton, W.G, Redinbo, M.R, Dangl, J.L.
Deposit date:2020-12-08
Release date:2021-12-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome.
Nat Microbiol, 7, 2022
6HBV
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BU of 6hbv by Molmil
Structure of PLP internal aldimine form of Sphingopyxis sp. MTA144 FumI protein
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aminopentol aminotransferase, MAGNESIUM ION, ...
Authors:Campopiano, D.J, Serpico, A, Marles-Wright, J.
Deposit date:2018-08-13
Release date:2019-08-28
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure of PLP internal aldimine form of Sphingopyxis sp. MTA144 FumI protein
To Be Published
6FFY
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BU of 6ffy by Molmil
Structure of the mouse SorCS2-NGF complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-nerve growth factor, VPS10 domain-containing receptor SorCS2, ...
Authors:Leloup, N.O.L, Janssen, B.J.C.
Deposit date:2018-01-09
Release date:2018-08-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Structural insights into SorCS2-Nerve Growth Factor complex formation.
Nat Commun, 9, 2018
6CNP
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BU of 6cnp by Molmil
Crystal structure of MBD2 complex with methylated CpG island
Descriptor: CALCIUM ION, DNA (5'-D(*GP*CP*CP*AP*CP*(5CM)P*GP*GP*TP*GP*GP*C)-3'), Methyl-CpG-binding domain protein 2, ...
Authors:Xu, C, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2018-03-08
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for the ability of MBD domains to bind methyl-CG and TG sites in DNA.
J. Biol. Chem., 293, 2018
6YA3
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BU of 6ya3 by Molmil
Crystal structure of PnrA from S. pneumoniae in complex with guanosine
Descriptor: GUANOSINE, Lipoprotein, NICKEL (II) ION
Authors:Batuecas, M.T, Hermoso, J.A.
Deposit date:2020-03-11
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal Structure and Pathophysiological Role of the Pneumococcal Nucleoside-binding Protein PnrA.
J.Mol.Biol., 433, 2021
6YAB
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BU of 6yab by Molmil
Crystal structure of PnrA from S. pneumoniae in complex with uridine
Descriptor: ACETATE ION, CACODYLATE ION, Lipoprotein, ...
Authors:Batuecas, M.T, Hermoso, J.A.
Deposit date:2020-03-12
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure and Pathophysiological Role of the Pneumococcal Nucleoside-binding Protein PnrA.
J.Mol.Biol., 433, 2021
6HJ3
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BU of 6hj3 by Molmil
Xray structure of GLIC in complex with fumarate
Descriptor: CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Fourati, Z, Delarue, M.
Deposit date:2018-08-31
Release date:2019-09-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural evidence for the binding of monocarboxylates and dicarboxylates at pharmacologically relevant extracellular sites of a pentameric ligand-gated ion channel.
Acta Crystallogr D Struct Biol, 76, 2020
6CK2
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BU of 6ck2 by Molmil
Insulin analog containing a YB26W mutation
Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
Authors:Rege, N.K, Yee, V.C, Weiss, M.A.
Deposit date:2018-02-27
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-based stabilization of insulin as a therapeutic protein assembly via enhanced aromatic-aromatic interactions.
J. Biol. Chem., 293, 2018
8A9W
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BU of 8a9w by Molmil
Crystal structure of PulL C-ter domain
Descriptor: SULFATE ION, Type II secretion system protein L
Authors:Dazzoni, R, Li, Y, Lopez-Castilla, A, Brier, S, Mechaly, A, Cordier, F, Haouz, A, Nilges, M, Francetic, O, Bardiaux, B, Izadi-Pruneyre, N.
Deposit date:2022-06-29
Release date:2023-01-11
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.895 Å)
Cite:Structure and dynamic association of an assembly platform subcomplex of the bacterial type II secretion system.
Structure, 31, 2023
5TWZ
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BU of 5twz by Molmil
Structure of Maternal Embryonic Leucine Zipper Kinase
Descriptor: 7-{[2-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino}-2,3,4,5-tetrahydro-1H-3-benzazepinium, Maternal embryonic leucine zipper kinase
Authors:Seo, H.-Y, Dhe-Paganon, S.
Deposit date:2016-11-15
Release date:2017-11-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.631 Å)
Cite:MELK is not necessary for the proliferation of basal-like breast cancer cells.
Elife, 6, 2017
5FO8
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BU of 5fo8 by Molmil
Crystal Structure of Human Complement C3b in Complex with MCP (CCP1-4)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COMPLEMENT C3, ...
Authors:Forneris, F, Wu, J, Xue, X, Gros, P.
Deposit date:2015-11-18
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Regulators of Complement Activity Mediate Inhibitory Mechanisms Through a Common C3B-Binding Mode.
Embo J., 35, 2016
7QK9
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BU of 7qk9 by Molmil
Crystal structure of the ALDH1A3-ATP complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Aldehyde dehydrogenase family 1 member A3, DI(HYDROXYETHYL)ETHER, ...
Authors:Castellvi, A, Farres, J.
Deposit date:2021-12-17
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.782 Å)
Cite:Structural and biochemical evidence that ATP inhibits the cancer biomarker human aldehyde dehydrogenase 1A3.
Commun Biol, 5, 2022
6PZO
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BU of 6pzo by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with YX-153
Descriptor: Hdac6 protein, N-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)pyridine-3-carboxamide, POTASSIUM ION, ...
Authors:Osko, J.D, Christianson, D.W.
Deposit date:2019-08-01
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6.
J.Med.Chem., 63, 2020
6HJK
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BU of 6hjk by Molmil
Crystal Structure of Aurora-A L210C catalytic domain in complex with ASDO2
Descriptor: (~{E})-~{N}-[4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-4-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-but-2-enamide, Aurora kinase A, CHLORIDE ION, ...
Authors:Bayliss, R, McIntyre, P.J.
Deposit date:2018-09-04
Release date:2018-10-03
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Type II Kinase Inhibitors Targeting Cys-Gatekeeper Kinases Display Orthogonality with Wild Type and Ala/Gly-Gatekeeper Kinases.
ACS Chem. Biol., 13, 2018
6YQ9
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BU of 6yq9 by Molmil
Taka-amylase in complex with alpha-glucosyl epi-cyclophellitol epoxide inhibitor
Descriptor: (1R,2R,3S,5R,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)cyclohexyl alpha-D-glucopyranoside, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Armstrong, Z, Chen, Y, Artola, M, Overkleeft, H, Davies, G.
Deposit date:2020-04-16
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Activity-Based Protein Profiling of Retaining alpha-Amylases in Complex Biological Samples.
J.Am.Chem.Soc., 143, 2021
5FWU
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BU of 5fwu by Molmil
Wnt modulator Kremen crystal form II at 2.8A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, KREMEN PROTEIN 1
Authors:Zebisch, M, Jackson, V.A, Jones, E.Y.
Deposit date:2016-02-21
Release date:2016-07-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the Dual-Mode Wnt Regulator Kremen1 and Insight Into Ternary Complex Formation with Lrp6 and Dickkopf
Structure, 24, 2016
6PZU
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BU of 6pzu by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with AP-1-62-A
Descriptor: Hdac6 protein, N-[(benzyloxy)carbonyl]-L-leucyl-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-L-alaninamide, POTASSIUM ION, ...
Authors:Osko, J.D, Christianson, D.W.
Deposit date:2019-08-01
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6.
J.Med.Chem., 63, 2020
6YQC
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BU of 6yqc by Molmil
Taka-amylase in complex with alpha-glucosyl epi-cyclophellitol epoxide inhibitor
Descriptor: (1~{R},2~{S},4~{R},5~{S},6~{R})-6-[(2~{S},3~{R},4~{R},5~{S},6~{R})-5-heptoxy-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]oxy-5-(hydroxymethyl)cyclohexane-1,2,4-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Armstrong, Z, Chen, Y, Artola, M, Overkleeft, H, Davies, G.
Deposit date:2020-04-16
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Activity-Based Protein Profiling of Retaining alpha-Amylases in Complex Biological Samples.
J.Am.Chem.Soc., 143, 2021
6HJD
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BU of 6hjd by Molmil
Cholera toxin classical B-pentamer in complex with Lewis-x
Descriptor: BICINE, CALCIUM ION, Cholera toxin B subunit, ...
Authors:Krengel, U, Heim, J.B.
Deposit date:2018-09-03
Release date:2019-08-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Crystal structures of cholera toxin in complex with fucosylated receptors point to importance of secondary binding site.
Sci Rep, 9, 2019
6FJ8
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BU of 6fj8 by Molmil
Structure of Thaumatin collected from an in situ crystal collected on ID30B at 12.7 keV.
Descriptor: L(+)-TARTARIC ACID, Thaumatin-1
Authors:McCarthy, A.A, Mueller-Dieckmann, C.
Deposit date:2018-01-21
Release date:2018-01-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:ID30B - a versatile beamline for macromolecular crystallography experiments at the ESRF.
J Synchrotron Radiat, 25, 2018
6FHA
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BU of 6fha by Molmil
Death-associated Protein Kinase 1 (DAPK1) catalytic and auto-regulatory domains with S289A and S308A mutations
Descriptor: Death-associated protein kinase 1
Authors:Huart, A.-S, Wilmanns, M.
Deposit date:2018-01-12
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular mechanisms behind DAPK regulation: how phosphorylation switches work
To Be Published
6Y7V
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BU of 6y7v by Molmil
Crystal structure of the KDEL receptor bound to HDEL peptide at pH 6.0
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CARBON DIOXIDE, ER lumen protein-retaining receptor 2, ...
Authors:Braeuer, P, Newstead, S.
Deposit date:2020-03-02
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.241 Å)
Cite:A signal capture and proofreading mechanism for the KDEL-receptor explains selectivity and dynamic range in ER retrieval.
Elife, 10, 2021
6HJS
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BU of 6hjs by Molmil
Crystal structure of glutathione transferase Omega 1C from Trametes versicolor
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLUTATHIONE, Uncharacterized protein
Authors:Schwartz, M, Favier, F, Didierjean, C.
Deposit date:2018-09-04
Release date:2019-09-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.612 Å)
Cite:Diversity of Omega Glutathione Transferases in mushroom-forming fungi revealed by phylogenetic, transcriptomic, biochemical and structural approaches.
Fungal Genet Biol., 2021

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