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6XY5
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BU of 6xy5 by Molmil
Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 5
Descriptor: 14-3-3 protein sigma, 3-bromanyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ...
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2020-01-29
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020
6WUJ
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BU of 6wuj by Molmil
Mitochondrial SAM complex - monomer in detergent
Descriptor: Bac_surface_Ag domain-containing protein, Sam35, Tom37 domain-containing protein
Authors:Ni, X, Botos, I, Diederichs, K.
Deposit date:2020-05-04
Release date:2020-08-12
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural insight into mitochondrial beta-barrel outer membrane protein biogenesis.
Nat Commun, 11, 2020
6WV6
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BU of 6wv6 by Molmil
Human VKOR with phenindione
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Phenindione, Vitamin K epoxide reductase, ...
Authors:Liu, S, Sukumar, N, Li, W.
Deposit date:2020-05-05
Release date:2020-11-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Science, 371, 2021
6WVF
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BU of 6wvf by Molmil
E.coli DsbB C104S with ubiquinone
Descriptor: Green fluorescent protein,Disulfide bond formation protein B,Green fluorescent protein, UBIQUINONE-1
Authors:Liu, S, Li, W.
Deposit date:2020-05-05
Release date:2021-01-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Termini restraining of small membrane proteins enables structure determination at near-atomic resolution.
Sci Adv, 6, 2020
6WJF
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BU of 6wjf by Molmil
PKA RIIbeta holoenzyme with DnaJB1-PKAc fusion in fibrolamellar hepatoceullar carcinoma
Descriptor: DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha fusion, cAMP-dependent protein kinase type II-beta regulatory subunit
Authors:Lu, T.-W, Aoto, P.C, Weng, J.-H, Nielsen, C, Cash, J.N, Hall, J, Zhang, P, Simon, S.M, Cianfrocco, M.A, Taylor, S.S.
Deposit date:2020-04-13
Release date:2020-12-02
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (7.5 Å)
Cite:Structural analyses of the PKA RII beta holoenzyme containing the oncogenic DnaJB1-PKAc fusion protein reveal protomer asymmetry and fusion-induced allosteric perturbations in fibrolamellar hepatocellular carcinoma.
Plos Biol., 18, 2020
6X4I
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BU of 6x4i by Molmil
Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with 3'-uridinemonophosphate
Descriptor: 1,2-ETHANEDIOL, 3'-URIDINEMONOPHOSPHATE, SODIUM ION, ...
Authors:Chang, C, Kim, Y, Maltseva, N, Jedrzejczak, R, Endres, M, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-05-22
Release date:2020-06-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Tipiracil binds to uridine site and inhibits Nsp15 endoribonuclease NendoU from SARS-CoV-2.
Commun Biol, 4, 2021
3KB6
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BU of 3kb6 by Molmil
Crystal structure of D-Lactate dehydrogenase from aquifex aeolicus complexed with NAD and Lactic acid
Descriptor: D-lactate dehydrogenase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Antonyuk, S.V, Strange, R.W, Ellis, M.J, Bessho, Y, Kuramitsu, S, Yokoyama, S, Hasnain, S.S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2009-10-20
Release date:2009-11-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structure of D-lactate dehydrogenase from Aquifex aeolicus complexed with NAD(+) and lactic acid (or pyruvate).
Acta Crystallogr.,Sect.F, 65, 2009
6WKP
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BU of 6wkp by Molmil
Crystal structure of RNA-binding domain of nucleocapsid phosphoprotein from SARS CoV-2, monoclinic crystal form
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nucleoprotein, ZINC ION
Authors:Chang, C, Michalska, K, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Kim, Y, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-04-16
Release date:2020-04-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies.
Iscience, 27, 2024
6WMM
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BU of 6wmm by Molmil
Human poly-N-acetyl-lactosamine synthase structure demonstrates a modular assembly of catalytic subsites for GT-A glycosyltransferases
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Kadirvelraj, R, Wood, Z.A.
Deposit date:2020-04-21
Release date:2020-12-02
Last modified:2021-04-28
Method:X-RAY DIFFRACTION (1.548 Å)
Cite:Comparison of human poly-N-acetyl-lactosamine synthase structure with GT-A fold glycosyltransferases supports a modular assembly of catalytic subsites.
J.Biol.Chem., 296, 2020
5YCO
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BU of 5yco by Molmil
Complex structure of PCNA with UHRF2
Descriptor: E3 ubiquitin-protein ligase UHRF2, GLYCEROL, Proliferating cell nuclear antigen, ...
Authors:Wu, M, Chen, W, Hang, T, Wang, C, Zhang, X, Zang, J.
Deposit date:2017-09-07
Release date:2017-11-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Structure insights into the molecular mechanism of the interaction between UHRF2 and PCNA.
Biochem. Biophys. Res. Commun., 494, 2017
6WU6
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BU of 6wu6 by Molmil
succinate-coenzyme Q reductase
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Lyu, M, Su, C.-C, Morgan, C.E, Yu, E.W.
Deposit date:2020-05-04
Release date:2021-02-03
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:A 'Build and Retrieve' methodology to simultaneously solve cryo-EM structures of membrane proteins.
Nat.Methods, 18, 2021
6WV3
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BU of 6wv3 by Molmil
Human VKOR with warfarin
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, S-WARFARIN, Vitamin K epoxide reductase, ...
Authors:Liu, S, Sukumar, N, Li, W.
Deposit date:2020-05-05
Release date:2020-11-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.197 Å)
Cite:Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Science, 371, 2021
6WVI
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BU of 6wvi by Molmil
VKOR-like from Takifugu rubripes
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Vitamin K epoxide reductase-like protein, termini restrained by green fluorescent protein
Authors:Liu, S, Sukumar, N, Li, W.
Deposit date:2020-05-06
Release date:2020-11-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Science, 371, 2021
6WW2
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BU of 6ww2 by Molmil
Structure of human Frizzled5 by fiducial-assisted cryo-EM
Descriptor: Frizzled-5,Soluble cytochrome b562, anti-BRIL Fab Heavy chain, anti-BRIL Fab Light chain, ...
Authors:Tsutsumi, N, Jude, K.M, Gati, C, Garcia, K.C.
Deposit date:2020-05-07
Release date:2020-08-19
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structure of human Frizzled5 by fiducial-assisted cryo-EM supports a heterodimeric mechanism of canonical Wnt signaling.
Elife, 9, 2020
6YDF
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BU of 6ydf by Molmil
X-ray structure of LPMO.
Descriptor: COPPER (II) ION, LPMO lytic polysaccharide monooxygenase, SULFATE ION
Authors:Tandrup, T, Tryfona, T, Frandsen, K.E.H, Johansen, K.S, Dupree, P, Lo Leggio, L.
Deposit date:2020-03-20
Release date:2020-09-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Oligosaccharide Binding and Thermostability of Two Related AA9 Lytic Polysaccharide Monooxygenases.
Biochemistry, 59, 2020
6YEI
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BU of 6yei by Molmil
Arabidopsis thaliana glutamate dehydrogenase isoform 1 in complex with NAD
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, ...
Authors:Ruszkowski, M, Grzechowiak, M, Jaskolski, M.
Deposit date:2020-03-24
Release date:2020-05-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural Studies of Glutamate Dehydrogenase (Isoform 1) FromArabidopsis thaliana, an Important Enzyme at the Branch-Point Between Carbon and Nitrogen Metabolism.
Front Plant Sci, 11, 2020
6YQ2
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BU of 6yq2 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-129
Descriptor: 14-3-3 protein sigma, 4-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]sulfonylbenzaldehyde, p65pS45
Authors:Wolter, M, Ottmann, C.
Deposit date:2020-04-16
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
6YSB
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BU of 6ysb by Molmil
Crystal structure of Malus domestica Double Bond Reductase (MdDBR) apo form
Descriptor: 2-alkenal reductase (NADP(+)-dependent)-like, SULFATE ION
Authors:Caliandro, R, Polsinelli, I, Demitri, N, Benini, S.
Deposit date:2020-04-21
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The structural and functional characterization of Malus domestica double bond reductase MdDBR provides insights towards the identification of its substrates.
Int.J.Biol.Macromol., 171, 2021
6YBF
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BU of 6ybf by Molmil
RT structure of HEW Lysozyme obtained at 1.13 A resolution from crystal grown in a Kapton microchip.
Descriptor: CHLORIDE ION, Lysozyme, SODIUM ION
Authors:Gavira, J, Martinez-Rodriguez, S.
Deposit date:2020-03-17
Release date:2020-08-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Attaining atomic resolution from in situ data collection at room temperature using counter-diffusion-based low-cost microchips.
Acta Crystallogr D Struct Biol, 76, 2020
6YE2
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BU of 6ye2 by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with the AMPCP derivative A1202 (compound 4a in publication) in the closed form (crystal form IV)
Descriptor: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
Authors:Scaletti, E, Strater, N.
Deposit date:2020-03-23
Release date:2021-01-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Discovery of Potent and Selective Methylenephosphonic Acid CD73 Inhibitors.
J.Med.Chem., 64, 2021
6YPY
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BU of 6ypy by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-123
Descriptor: 14-3-3 protein sigma, 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzaldehyde, p65pS45
Authors:Wolter, M, Ottmann, C.
Deposit date:2020-04-16
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
6YOD
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BU of 6yod by Molmil
Structure of Lysozyme from SiN IMISX setup collected by rotation serial crystallography on crystals prelocated by 2D X-ray phase-contrast imaging
Descriptor: 2-(2-ETHOXYETHOXY)ETHANOL, 2-(2-METHOXYETHOXY)ETHANOL, ACETIC ACID, ...
Authors:Huang, C.-Y, Martiel, I, Villanueva-Perez, P, Panepucci, E, Caffrey, M, Wang, M.
Deposit date:2020-04-14
Release date:2020-11-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Low-dose in situ prelocation of protein microcrystals by 2D X-ray phase-contrast imaging for serial crystallography.
Iucrj, 7, 2020
6YOW
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BU of 6yow by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521
Descriptor: 14-3-3 protein sigma, 4-(methylsulfonyl)benzaldehyde, p65pS45
Authors:Wolter, M, Ottmann, C.
Deposit date:2020-04-15
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
6YOZ
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BU of 6yoz by Molmil
HiCel7B labelled with b-1,4-glucosyl cyclophellitol
Descriptor: (1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-1,2,3,4,5-PENTOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETAMIDE, ...
Authors:McGregor, N.G.S, Davies, G.J.
Deposit date:2020-04-15
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Glycosylated cyclophellitol-derived activity-based probes and inhibitors for cellulases.
Rsc Chem Biol, 1, 2020
7AYZ
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BU of 7ayz by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with activator TH10785
Descriptor: N-glycosylase/DNA lyase, NICKEL (II) ION, ~{N}-cyclohexyl-2-cyclopropyl-quinazolin-4-amine
Authors:Masuyer, G, Davies, J.R, Stenmark, P.
Deposit date:2020-11-13
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Small-molecule activation of OGG1 increases oxidative DNA damage repair by gaining a new function.
Science, 376, 2022

222415

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