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PDB: 45697 results

7O72
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BU of 7o72 by Molmil
Yeast RNA polymerase II transcription pre-initiation complex with closed promoter DNA
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA-directed RNA polymerase II subunit RPB1, ...
Authors:Schilbach, S, Aibara, S, Dienemann, C, Grabbe, F, Cramer, P.
Deposit date:2021-04-12
Release date:2021-06-16
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure of RNA polymerase II pre-initiation complex at 2.9 angstrom defines initial DNA opening.
Cell, 184, 2021
7Q5E
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BU of 7q5e by Molmil
Crystal structure of F2F-2020209-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.
Descriptor: 3C-like proteinase, CHLORIDE ION, SODIUM ION, ...
Authors:Costanzi, E, Demitri, N, Storici, P.
Deposit date:2021-11-03
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Easy access to alpha-ketoamides as SARS-CoV-2 and MERS M pro inhibitors via the PADAM oxidation route.
Eur.J.Med.Chem., 244, 2022
7Q5F
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BU of 7q5f by Molmil
Crystal structure of F2F-2020216-01X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.
Descriptor: (S)-1-(2-(2,4-dichlorophenoxy)acetyl)-N-((S)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)-4-(phenethylamino)butan-2-yl)pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, 3C-like proteinase, ...
Authors:Costanzi, E, Demitri, N, Storici, P.
Deposit date:2021-11-03
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Easy access to alpha-ketoamides as SARS-CoV-2 and MERS M pro inhibitors via the PADAM oxidation route.
Eur.J.Med.Chem., 244, 2022
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
7AZ0
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BU of 7az0 by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with TH12161
Descriptor: 2-cyclopropyl-~{N}-(4-iodophenyl)quinazolin-4-amine, N-glycosylase/DNA lyase, NICKEL (II) ION
Authors:Davies, J.R, Masuyer, G, Stenmark, P.
Deposit date:2020-11-13
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Small-molecule activation of OGG1 increases oxidative DNA damage repair by gaining a new function.
Science, 376, 2022
4XSB
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BU of 4xsb by Molmil
Determining the Molecular Basis for Starter Unit Selection During Daunorubicin Biosynthesis
Descriptor: Daunorubicin-doxorubicin polyketide synthase
Authors:Jackson, D.R, Valentic, T.R, Tsai, S.C, Patel, A, Mohammed, L, Vasilakis, K, Wattana-amorn, P, Long, P.F, Crump, M.P, Crosby, J.
Deposit date:2015-01-22
Release date:2016-01-27
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.203 Å)
Cite:Determining the Molecular Basis for Starter Unit Selection During Daunorubicin Biosynthesis
To Be Published
7PHO
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BU of 7pho by Molmil
Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 7.1 in complex with 4-hydroxybenzaldehyde
Descriptor: BICARBONATE ION, D-MALATE, GLYCEROL, ...
Authors:Nunes-Costa, D, Silva, A, Barbosa Pereira, P.J, Macedo-Ribeiro, S.
Deposit date:2021-08-17
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 7.1 in complex with 4-hydroxybenzaldehyde
To Be Published
7T7U
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BU of 7t7u by Molmil
Light Harvesting complex phycocyanin PC 630, from the cryptophyte Chroomonas sp. M1627
Descriptor: DiCys-(15,16)-Dihydrobiliverdin, GLYCEROL, PHYCOCYANOBILIN, ...
Authors:Michie, K.A, Harrop, S.J, Rathbone, H.W, Wilk, K.E, Curmi, P.M.G.
Deposit date:2021-12-15
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular structures reveal the origin of spectral variation in cryptophyte light harvesting antenna proteins.
Protein Sci., 32, 2023
6YL3
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BU of 6yl3 by Molmil
High resolution cryo-EM structure of urease from the pathogen Yersinia enterocolitica
Descriptor: NICKEL (II) ION, Urease subunit alpha, Urease subunit beta, ...
Authors:Righetto, R.D, Anton, L, Adaixo, R, Jakob, R, Zivanov, J, Mahi, M.A, Ringler, P, Schwede, T, Maier, T, Stahlberg, H.
Deposit date:2020-04-06
Release date:2020-05-06
Last modified:2020-10-21
Method:ELECTRON MICROSCOPY (1.98 Å)
Cite:High-resolution cryo-EM structure of urease from the pathogen Yersinia enterocolitica.
Nat Commun, 11, 2020
7SZR
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BU of 7szr by Molmil
NIK bound to inhibitor G02792917
Descriptor: 1-(3-{[(1R,4R,5S)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl}phenyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION
Authors:Liau, N.P.D, Hymowitz, S.G.
Deposit date:2021-11-29
Release date:2023-06-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Filling a nick in NIK: Extending the half-life of a NIK inhibitor through structure-based drug design.
Bioorg.Med.Chem.Lett., 89, 2023
8D3Z
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BU of 8d3z by Molmil
Crystal structure of GalS1 in complex with Manganese from Populus trichocarpas
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Galactan synthase, ...
Authors:Pereira, J.H, Prabhakar, P.K, Urbanowicz, B.R, Adams, P.D.
Deposit date:2022-06-01
Release date:2023-03-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Structural and biochemical insight into a modular beta-1,4-galactan synthase in plants.
Nat.Plants, 9, 2023
5IVS
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BU of 5ivs by Molmil
Crystal Structure of HIV Protease complexed with methyl N-[(1S)-1-benzhydryl-2-[2-[2-[(2R,5S)-5-(benzylcarbamoyloxymethyl)morpholin-2-yl]ethyl]anilino]-2-oxo-ethyl]carbamate
Descriptor: CHLORIDE ION, N-(2-{2-[(2R,5S)-5-{[(benzylcarbamoyl)oxy]methyl}morpholin-2-yl]ethyl}phenyl)-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide, Protease
Authors:Su, H.P.
Deposit date:2016-03-21
Release date:2016-05-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Discovery of MK-8718, an HIV Protease Inhibitor Containing a Novel Morpholine Aspartate Binding Group.
Acs Med.Chem.Lett., 7, 2016
4XS9
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BU of 4xs9 by Molmil
Determining the Molecular Basis for Starter Unit Selection During Daunorubicin Biosynthesis
Descriptor: Daunorubicin-doxorubicin polyketide synthase, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-[2-(propanoylamino)ethyl]-beta-alaninamide
Authors:Jackson, D.R, Valentic, T.R, Tsai, S.C, Patel, A, Mohammed, L, Vasilakis, K, Wattana-amorn, P, Long, P.F, Crump, M.P, Crosby, J.
Deposit date:2015-01-22
Release date:2016-01-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Determining the Molecular Basis for Starter Unit Selection During Daunorubicin Biosynthesis
To Be Published
6N16
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BU of 6n16 by Molmil
Vaccine-elicited NHP FP-targeting neutralizing antibody 0PV-b.01 in complex with HIV fusion peptide (residue 512-519)
Descriptor: HIV fusion peptide (512-519), antibody 0PV-b.01 Fab heavy chain, antibody 0PV-b.01 Fab light chain
Authors:Xu, K, Wang, Y, Kwong, P.D.
Deposit date:2018-11-08
Release date:2019-07-31
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
6WL9
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BU of 6wl9 by Molmil
Cryo-EM of Form 2 like peptide filament, Form2a
Descriptor: peptide Form2a
Authors:Wang, F, Beltran, L.C, Gnewou, O.M, Egelman, E.H, Conticello, V.P.
Deposit date:2020-04-18
Release date:2020-12-02
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural analysis of cross alpha-helical nanotubes provides insight into the designability of filamentous peptide nanomaterials.
Nat Commun, 12, 2021
7TLF
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BU of 7tlf by Molmil
Structure of the photoacclimated Light Harvesting Complex PE545 from Proteomonas sulcata
Descriptor: 15,16-DIHYDROBILIVERDIN, PHYCOERYTHROBILIN, Phycoerythrin alpha-subunit 1, ...
Authors:Jeffrey, P.D, Spangler, L.C, Scholes, G.D.
Deposit date:2022-01-18
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Controllable Phycobilin Modification: An Alternative Photoacclimation Response in Cryptophyte Algae.
Acs Cent.Sci., 8, 2022
4XOF
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BU of 4xof by Molmil
Observing the overall rocking motion of a protein in a crystal - Orthorhombic Ubiquitin crystals without Zinc.
Descriptor: Ubiquitin
Authors:Coquelle, N, Ma, P, Schanda, P, Colletier, J.P.
Deposit date:2015-01-16
Release date:2015-10-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Observing the overall rocking motion of a protein in a crystal.
Nat Commun, 6, 2015
7NXP
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BU of 7nxp by Molmil
Structure of the C-terminal domain of the pUL77 capsid protein from human cytomegalovirus (HCMV)
Descriptor: Capsid vertex component 2, GLYCEROL
Authors:Naniima, P, Legrand, P, Krey, T.
Deposit date:2021-03-19
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.896 Å)
Cite:Assembly of infectious Kaposi's sarcoma-associated herpesvirus progeny requires formation of a pORF19 pentamer.
Plos Biol., 19, 2021
6XE0
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BU of 6xe0 by Molmil
Cryo-EM structure of NusG-CTD bound to 70S ribosome (30S: NusG-CTD fragment)
Descriptor: 16s rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Washburn, R, Zuber, P, Sun, M, Hashem, Y, Shen, B, Li, W, Harvey, S, Acosta-Reyes, F.J, Knauer, S.H, Frank, J, Gottesman, M.E.
Deposit date:2020-06-11
Release date:2020-07-29
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (6.8 Å)
Cite:Escherichia coli NusG Links the Lead Ribosome with the Transcription Elongation Complex.
Iscience, 23, 2020
7BH2
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BU of 7bh2 by Molmil
Cryo-EM Structure of KdpFABC in E2Pi state with BeF3 and K+
Descriptor: (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ...
Authors:Sweet, M.E, Larsen, C, Pedersen, B.P, Stokes, D.L.
Deposit date:2021-01-09
Release date:2021-01-27
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for potassium transport in prokaryotes by KdpFABC.
Proc.Natl.Acad.Sci.USA, 118, 2021
4XVC
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BU of 4xvc by Molmil
Crystal structure of an esterase from the bacterial hormone-sensitive lipase (HSL) family
Descriptor: Esterase E40, phenylmethanesulfonic acid
Authors:Zhang, Y, Li, P.
Deposit date:2015-01-27
Release date:2015-03-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Interdomain Hydrophobic Interactions Modulate the Thermostability of Microbial Esterases from the Hormone-Sensitive Lipase Family.
J.Biol.Chem., 290, 2015
7NXR
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BU of 7nxr by Molmil
Structure of the C-terminal domain of the pORF19 capsid protein from murid gammaherpesvirus 68 (MuHV-68)
Descriptor: Capsid vertex component 2
Authors:Naniima, P, Legrand, P, Krey, T.
Deposit date:2021-03-19
Release date:2021-10-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Assembly of infectious Kaposi's sarcoma-associated herpesvirus progeny requires formation of a pORF19 pentamer.
Plos Biol., 19, 2021
7QBG
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BU of 7qbg by Molmil
TC:CD320 in complex with nanobody TC-Nb4
Descriptor: Anti-TC:CD320 nanobody TC-Nb4, CALCIUM ION, CD320 antigen, ...
Authors:Bloch, J.S, Locher, K.P.
Deposit date:2021-11-19
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Generation of nanobodies targeting the human, transcobalamin-mediated vitamin B 12 uptake route.
Faseb J., 36, 2022
7QBF
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BU of 7qbf by Molmil
TC:CD320 in complex with nanobody TC-Nb34
Descriptor: 1,2-ETHANEDIOL, Anti-transcobalamin-2 nanobody TC-Nb34, CALCIUM ION, ...
Authors:Bloch, J.S, Locher, K.P.
Deposit date:2021-11-19
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Generation of nanobodies targeting the human, transcobalamin-mediated vitamin B 12 uptake route.
Faseb J., 36, 2022
5NO1
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BU of 5no1 by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ407 (compound 5g)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ...
Authors:Pye, V.E, Cherepanov, P.
Deposit date:2017-04-10
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-Guided Optimization of HIV Integrase Strand Transfer Inhibitors.
J. Med. Chem., 60, 2017

222415

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