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PDB: 53012 results

7APL
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BU of 7apl by Molmil
tRNA-guanine transglycosylase G87C mutant spin-labeled with MTSL
Descriptor: GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION
Authors:Nguyen, D, Heine, A, Klebe, G.
Deposit date:2020-10-18
Release date:2020-10-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Unraveling a Ligand-Induced Twist of a Homodimeric Enzyme by Pulsed Electron-Electron Double Resonance.
Angew.Chem.Int.Ed.Engl., 60, 2021
8SG0
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BU of 8sg0 by Molmil
Crystal Structure of GDP-manose 3,5 epimerase de Myrciaria dubia in complex with substrate, product and NAD
Descriptor: GDP-mannose 3,5-epimerase, GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, GUANOSINE-5'-DIPHOSPHATE-BETA-L-GALACTOSE, ...
Authors:Santillan, J.A.V, Cabrejos, D.A.L, Pereira, H.M, Gomez, J.C.C, Garratt, R.C.
Deposit date:2023-04-11
Release date:2024-03-13
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural insights into the Smirnoff-Wheeler pathway for vitamin C production in the Amazon fruit camu-camu.
J.Exp.Bot., 75, 2024
6ROJ
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BU of 6roj by Molmil
Cryo-EM structure of the activated Drs2p-Cdc50p
Descriptor: (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cell division control protein 50, ...
Authors:Timcenko, M, Lyons, J.A, Januliene, D, Ulstrup, J.J, Dieudonne, T, Montigny, C, Ash, M.R, Karlsen, J.L, Boesen, T, Kuhlbrandt, W, Lenoir, G, Moeller, A, Nissen, P.
Deposit date:2019-05-13
Release date:2019-07-03
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure and autoregulation of a P4-ATPase lipid flippase.
Nature, 571, 2019
7B4Z
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BU of 7b4z by Molmil
Synthetic DNA duplex dodecamer
Descriptor: DNA (5'-D(*CP*AP*CP*GP*CP*CP*GP*CP*TP*G)-3'), DNA (5'-D(*CP*AP*GP*CP*GP*GP*CP*GP*TP*G)-3')
Authors:Lomzov, A.A, Shernuykov, A.V, Sviridov, E.A, Shevelev, G.Y, Bagryanskaya, E.G, Pyshnyi, D.V.
Deposit date:2020-12-03
Release date:2020-12-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Study of a DNA Duplex by Nuclear Magnetic Resonance and Molecular Dynamics Simulations. Validation of Pulsed Dipolar Electron Paramagnetic Resonance Distance Measurements Using Triarylmethyl-Based Spin Labels.
J Phys Chem B, 120, 2016
5LMB
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BU of 5lmb by Molmil
HUMAN SPLEEN TYROSINE KINASE KINASE DOMAIN IN COMPLEX WITH AZANAPHTHYRIDINE INHIBITOR
Descriptor: 7-[6-(dimethylamino)pyridin-3-yl]-~{N}-[[(3~{S})-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine, GLYCEROL, Tyrosine-protein kinase SYK
Authors:Somers, D.O, Neu, M.
Deposit date:2016-07-29
Release date:2016-09-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Optimisation of a novel series of potent and orally bioavailable azanaphthyridine SYK inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
6ROI
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BU of 6roi by Molmil
Cryo-EM structure of the partially activated Drs2p-Cdc50p
Descriptor: (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Timcenko, M, Lyons, J.A, Januliene, D, Ulstrup, J.J, Dieudonne, T, Montigny, C, Ash, M.R, Karlsen, J.L, Boesen, T, Kuhlbrandt, W, Lenoir, G, Moeller, A, Nissen, P.
Deposit date:2019-05-13
Release date:2019-07-03
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structure and autoregulation of a P4-ATPase lipid flippase.
Nature, 571, 2019
7AK5
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BU of 7ak5 by Molmil
Cryo-EM structure of respiratory complex I in the deactive state from Mus musculus at 3.2 A
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Yin, Z, Bridges, H.R, Grba, D, Hirst, J.
Deposit date:2020-09-29
Release date:2021-02-03
Last modified:2021-02-10
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Structural basis for a complex I mutation that blocks pathological ROS production.
Nat Commun, 12, 2021
6VH7
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BU of 6vh7 by Molmil
Doublet Tau Fibril from Corticobasal Degeneration Human Brain Tissue
Descriptor: Microtubule-associated protein tau
Authors:Arakhamia, T, Lee, C.E, Carlomagno, Y, Duong, D.M, Kundinger, S.R, Wang, K, Williams, D, DeTure, M, Dickson, D.W, Cook, C.N, Seyfried, N.T, Petrucelli, L, Fitzpatrick, A.W.P.
Deposit date:2020-01-09
Release date:2020-03-04
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Posttranslational Modifications Mediate the Structural Diversity of Tauopathy Strains.
Cell, 180, 2020
8C3E
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BU of 8c3e by Molmil
Engineered mini-protein LCB2 (blocking ligand of SARS-Cov-2 spike protein)
Descriptor: Engineered protein LCB2, GLYCEROL
Authors:Korban, S.A, Mikhailovskii, O.V, Luzik, D.A, Gurzhiy, V.V, Levkina, A.D, Kharkov, B.B, Skrynnikov, N.R.
Deposit date:2022-12-23
Release date:2023-04-12
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Engineered mini-protein LCB2 (blocking ligand of SARS-Cov-2 spike protein)
To Be Published
7N3K
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BU of 7n3k by Molmil
Oridonin-bound SARS-CoV-2 Nsp9
Descriptor: (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, Non-structural protein 9, SULFATE ION
Authors:Littler, D.R, Gully, B.S, Rossjohn, J.
Deposit date:2021-06-01
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:A natural product compound inhibits coronaviral replication in vitro by binding to the conserved Nsp9 SARS-CoV-2 protein.
J.Biol.Chem., 297, 2021
7AX2
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BU of 7ax2 by Molmil
Crystal structure of the computationally designed Scone-E protein co-crystallized with STA, form b
Descriptor: Keggin (STA), Monolacunary Keggin (STA), SODIUM ION, ...
Authors:Mylemans, B, Vandebroek, L, Parac-Vogt, T.N, Voet, A.R.D.
Deposit date:2020-11-09
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of Scone: pseudosymmetric folding of a symmetric designer protein.
Acta Crystallogr D Struct Biol, 77, 2021
6XH5
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BU of 6xh5 by Molmil
Hierarchical design of multi-scale protein complexes by combinatorial assembly of oligomeric helical bundle and repeat protein building blocks
Descriptor: helical fusion design
Authors:Bera, A.K, Hsia, Y, Kang, A.S, Baker, D.
Deposit date:2020-06-18
Release date:2021-06-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:Design of multi-scale protein complexes by hierarchical building block fusion.
Nat Commun, 12, 2021
6RW3
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BU of 6rw3 by Molmil
The molecular basis for sugar import in malaria parasites.
Descriptor: Hexose transporter 1, alpha-D-glucopyranose, beta-D-glucopyranose
Authors:Qureshi, A, Matsuoka, R, Brock, J, Drew, D.
Deposit date:2019-06-03
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.65 Å)
Cite:The molecular basis for sugar import in malaria parasites.
Nature, 578, 2020
8F6H
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BU of 8f6h by Molmil
Cryo-EM structure of a Zinc-loaded asymmetrical TMD D70A mutant of the YiiP-Fab complex
Descriptor: Cadmium and zinc efflux pump FieF, Fab2r heavy chain, Fab2r light chain, ...
Authors:Lopez-Redondo, M.L, Hussein, A.K, Stokes, D.L.
Deposit date:2022-11-16
Release date:2023-02-08
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Characterization of individual Zn2+ binding sites of YiiP
To Be Published
8SLR
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BU of 8slr by Molmil
Crystal Structure of mouse TRAIL
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Pedersen, L.C, Xu, D.
Deposit date:2023-04-24
Release date:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Heparan sulfate promotes TRAIL-induced tumor cell apoptosis.
Elife, 12, 2024
6US6
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BU of 6us6 by Molmil
Artificial Iron Proteins: Modelling the Active Sites in Non-Heme Dioxygenases
Descriptor: ACETATE ION, Streptavidin, {N-(2-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+)
Authors:Miller, K.R, Paretsky, J.D, Follmer, A.H, Heinisch, T, Mittra, K, Gul, S, Kim, I.-S, Fuller, F.D, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bhowmick, A, Sauter, N.K, Kern, J, Yano, J, Green, M.T, Ward, T.R, Borovik, A.S.
Deposit date:2019-10-24
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Artificial Iron Proteins: Modeling the Active Sites in Non-Heme Dioxygenases.
Inorg.Chem., 59, 2020
7S9N
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BU of 7s9n by Molmil
Binary complex of DNA Polymerase Beta with Fapy-dG in the template position
Descriptor: DNA (5'-D(*CP*CP*GP*AP*CP*(FAP)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
Authors:Freudenthal, B.D, Ryan, B.J, Smith, M.R.
Deposit date:2021-09-21
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structural Dynamics of a Common Mutagenic Oxidative DNA Lesion in Duplex DNA and during DNA Replication.
J.Am.Chem.Soc., 144, 2022
7S9M
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BU of 7s9m by Molmil
Crystal Structure of DNA Polymerase Beta with Ring open intermediate Fapy-dG base-paired with a dA
Descriptor: DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*(IFP)P*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*AP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
Authors:Freudenthal, B.D, Ryan, B.J.
Deposit date:2021-09-21
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structural Dynamics of a Common Mutagenic Oxidative DNA Lesion in Duplex DNA and during DNA Replication.
J.Am.Chem.Soc., 144, 2022
8F6E
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BU of 8f6e by Molmil
Cryo-EM structure of a Zinc-loaded wild-type YiiP-Fab complex
Descriptor: Cadmium and zinc efflux pump FieF, Fab heavy chain, Fab light chain, ...
Authors:Lopez-Redondo, M.L, Hussein, A.K, Stokes, D.L.
Deposit date:2022-11-16
Release date:2023-02-08
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Characterization of individual Zn2+ binding sites of YiiP
To Be Published
7S9J
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BU of 7s9j by Molmil
Crystal Structure of DNA Polymerase Beta with Fapy-dG base-paired with a dC
Descriptor: DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*(FAP)P*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*CP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
Authors:Freudenthal, B.D, Ryan, B.J.
Deposit date:2021-09-21
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural Dynamics of a Common Mutagenic Oxidative DNA Lesion in Duplex DNA and during DNA Replication.
J.Am.Chem.Soc., 144, 2022
7AXF
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BU of 7axf by Molmil
Crystal structure of the hPXR-LBD in complex with pretilachlor
Descriptor: ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2, pretilachlor
Authors:Harrus, D, Delfosse, V, Bourguet, W.
Deposit date:2020-11-09
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
7S9P
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BU of 7s9p by Molmil
Ternary complex of DNA Polymerase Beta with Template Fapy-dG and an incoming dCTP analog
Descriptor: 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*(FAP)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
Authors:Freudenthal, B.D, Ryan, B.J, Smith, M.R.
Deposit date:2021-09-21
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural Dynamics of a Common Mutagenic Oxidative DNA Lesion in Duplex DNA and during DNA Replication.
J.Am.Chem.Soc., 144, 2022
8F6K
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BU of 8f6k by Molmil
Cryo-EM structure of a Zinc-loaded H263A/D287A mutant of the YiiP-Fab complex
Descriptor: Cadmium and zinc efflux pump FieF, ZINC ION
Authors:Lopez-Redondo, M.L, Hussein, A.K, Stokes, D.L.
Deposit date:2022-11-16
Release date:2023-02-08
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Characterization of individual Zn2+ binding sites of YiiP
To Be Published
8CPN
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BU of 8cpn by Molmil
Crystal structure of the PolB16_OarG intein variant S1A, N183A
Descriptor: IODIDE ION, PolB16 intein
Authors:Kattelmann, S, Pasch, T, Mootz, H.D, Kummel, D.
Deposit date:2023-03-03
Release date:2023-05-17
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and biochemical analysis of a novel atypically split intein reveals a conserved histidine specific to cysteine-less inteins.
Chem Sci, 14, 2023
7S9K
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BU of 7s9k by Molmil
Crystal Structure of DNA Polymerase Beta with Fapy-dG base-paired with a dA
Descriptor: DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*(FAP)P*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*AP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
Authors:Freudenthal, B.D, Ryan, B.J.
Deposit date:2021-09-21
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural Dynamics of a Common Mutagenic Oxidative DNA Lesion in Duplex DNA and during DNA Replication.
J.Am.Chem.Soc., 144, 2022

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數據於2024-07-31公開中

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