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PDB: 22172 results

6YNL
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BU of 6ynl by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_078
Descriptor: 3-[(2~{R})-5,5-dimethyl-2-phenyl-morpholin-4-yl]-~{N}-(methylcarbamoyl)propanamide, SULFATE ION, YTHDC1
Authors:Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
Deposit date:2020-04-14
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
6YNP
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BU of 6ynp by Molmil
Crystal structure of YTHDC1 with compound T96C1
Descriptor: CHLORIDE ION, SULFATE ION, YTHDC1, ...
Authors:Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
Deposit date:2020-04-14
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
8X2A
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BU of 8x2a by Molmil
The Crystal Structure of BMX from Biortus.
Descriptor: 1,2-ETHANEDIOL, 4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide, CHLORIDE ION, ...
Authors:Wang, F, Cheng, W, Yuan, Z, Lin, D, Pan, W.
Deposit date:2023-11-09
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The Crystal Structure of BMX from Biortus.
To Be Published
5J4C
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BU of 5j4c by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with cisplatin (soaked) and bound to mRNA and A-, P- and E-site tRNAs at 2.8A resolution
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Melnikov, S.V, Soll, D, Steitz, T.A, Polikanov, Y.S.
Deposit date:2016-03-31
Release date:2016-04-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Insights into RNA binding by the anticancer drug cisplatin from the crystal structure of cisplatin-modified ribosome.
Nucleic Acids Res., 44, 2016
7NS3
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BU of 7ns3 by Molmil
Substrate receptor scaffolding module of yeast Chelator-GID SR4 E3 ubiquitin ligase bound to Fbp1 substrate
Descriptor: BJ4_G0018240.mRNA.1.CDS.1, Fructose-bisphosphatase, Glucose-induced degradation protein 8, ...
Authors:Sherpa, D, Chrustowicz, J, Prabu, J.R, Schulman, B.A.
Deposit date:2021-03-05
Release date:2021-05-05
Last modified:2021-07-07
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:GID E3 ligase supramolecular chelate assembly configures multipronged ubiquitin targeting of an oligomeric metabolic enzyme.
Mol.Cell, 81, 2021
8X23
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BU of 8x23 by Molmil
The Crystal Structure of MAPK13 from Biortus.
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Mitogen-activated protein kinase 13
Authors:Wang, F, Cheng, W, Yuan, Z, Lin, D, Pan, W.
Deposit date:2023-11-09
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Crystal Structure of MAPK13 from Biortus.
To Be Published
6YOR
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BU of 6yor by Molmil
Structure of the SARS-CoV-2 spike S1 protein in complex with CR3022 Fab
Descriptor: IgG H chain, IgG L chain, Spike glycoprotein
Authors:Huo, J, Zhao, Y, Ren, J, Zhou, D, Duyvesteyn, H.M.E, Carrique, L, Malinauskas, T, Ruza, R.R, Shah, P.N.M, Fry, E.E, Owens, R, Stuart, D.I.
Deposit date:2020-04-15
Release date:2020-04-29
Last modified:2022-04-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike.
Cell Host Microbe, 28, 2020
8X2T
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BU of 8x2t by Molmil
The Crystal Structure of FES from Biortus.
Descriptor: Tyrosine-protein kinase Fes/Fps
Authors:Wang, F, Cheng, W, Yuan, Z, Lin, D, Pan, W.
Deposit date:2023-11-10
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The Crystal Structure of FES from Biortus.
To Be Published
5J1J
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BU of 5j1j by Molmil
Structure of FleN-AMPPNP complex
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ...
Authors:Jain, D, Chanchal, Banerjee, P.
Deposit date:2016-03-29
Release date:2017-03-29
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:ATP-Induced Structural Remodeling in the Antiactivator FleN Enables Formation of the Functional Dimeric Form
Structure, 25, 2017
8X5L
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BU of 8x5l by Molmil
The Crystal Structure of PRKACA from Biortus.
Descriptor: (2S)-2-(4-chlorophenyl)-2-hydroxy-2-[4-(1H-pyrazol-4-yl)phenyl]ethanaminium, SODIUM ION, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Wang, F, Cheng, W, Lv, Z, Lin, D, Pan, W.
Deposit date:2023-11-17
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The Crystal Structure of PRKACA from Biortus.
To Be Published
5J2T
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BU of 5j2t by Molmil
Tubulin-vinblastine complex
Descriptor: (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Waight, A.B, Bargsten, K, Doronina, S, Steinmetz, M.O, Sussman, D, Prota, A.E.
Deposit date:2016-03-30
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis of Microtubule Destabilization by Potent Auristatin Anti-Mitotics.
Plos One, 11, 2016
5J4I
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BU of 5j4i by Molmil
Crystal Structure of the L-arginine/agmatine antiporter from E. coli at 2.2 Angstroem resolution
Descriptor: Arginine/agmatine antiporter
Authors:Jeckelmann, J.M, Ilgue, H, Fotiadis, D.
Deposit date:2016-04-01
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.207 Å)
Cite:Insights into the molecular basis for substrate binding and specificity of the wild-type L-arginine/agmatine antiporter AdiC.
Proc.Natl.Acad.Sci.USA, 113, 2016
6XVC
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BU of 6xvc by Molmil
CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 1
Descriptor: (4~{R})-4-[(1~{R})-1-[7-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
Authors:Bader, G, Kessler, D, Wolkerstorfer, B.
Deposit date:2020-01-21
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.098 Å)
Cite:PI by NMR: Probing CH-pi Interactions in Protein-Ligand Complexes by NMR Spectroscopy.
Angew.Chem.Int.Ed.Engl., 59, 2020
1R43
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BU of 1r43 by Molmil
Crystal structure of beta-alanine synthase from Saccharomyces kluyveri (selenomethionine substituted protein)
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-AMINO ISOBUTYRATE, ...
Authors:Lundgren, S, Gojkovic, Z, Piskur, J, Dobritzsch, D.
Deposit date:2003-10-03
Release date:2003-11-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Yeast beta-Alanine Synthase Shares a Structural Scaffold and Origin with Dizinc-dependent Exopeptidases
J.Biol.Chem., 278
7K45
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BU of 7k45 by Molmil
SARS-CoV-2 spike in complex with the S2E12 neutralizing antibody Fab fragment (local refinement of the RBD and Fab variable domains)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S2E12 neutralizing antibody Fab fragment (heavy chain), S2E12 neutralizing antibody Fab fragment (light chain), ...
Authors:Tortorici, M.A, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-09-14
Release date:2020-10-07
Last modified:2023-10-18
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Ultrapotent human antibodies protect against SARS-CoV-2 challenge via multiple mechanisms.
Science, 370, 2020
5J0L
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BU of 5j0l by Molmil
De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity
Descriptor: designed protein 3L6HC2_2
Authors:Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G.
Deposit date:2016-03-28
Release date:2016-07-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity.
Science, 352, 2016
6XA9
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BU of 6xa9 by Molmil
SARS CoV-2 PLpro in complex with ISG15 C-terminal domain propargylamide
Descriptor: GLYCEROL, ISG15 CTD-propargylamide, Non-structural protein 3, ...
Authors:Klemm, T, Calleja, D.J, Richardson, L.W, Lechtenberg, B.C, Komander, D.
Deposit date:2020-06-04
Release date:2020-06-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Mechanism and inhibition of the papain-like protease, PLpro, of SARS-CoV-2.
Embo J., 39, 2020
1RQP
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BU of 1rqp by Molmil
Crystal structure and mechanism of a bacterial fluorinating enzyme
Descriptor: 5'-fluoro-5'-deoxyadenosine synthase, S-ADENOSYLMETHIONINE
Authors:Dong, C, Huang, F, Deng, H, Schaffrath, C, Spencer, J.B, O'Hagan, D, Naismith, J.H.
Deposit date:2003-12-06
Release date:2004-03-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure and mechanism of a bacterial fluorinating enzyme
Nature, 427, 2004
8X1V
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BU of 8x1v by Molmil
NMR structure of a bimolecular parallel G-quadruplex formed by AAGGG repeats from pathogenic RFC1 gene
Descriptor: DNA (5'-D(*AP*AP*GP*GP*GP*AP*AP*GP*GP*GP*AP*A)-3')
Authors:Wang, Y, Guo, P, Han, D.
Deposit date:2023-11-08
Release date:2024-01-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural investigation of pathogenic RFC1 AAGGG pentanucleotide repeats reveals a role of G-quadruplex in dysregulated gene expression in CANVAS.
Nucleic Acids Res., 52, 2024
5H5U
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BU of 5h5u by Molmil
Mechanistic insights into the alternative translation termination by ArfA and RF2
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Ma, C, Kurita, D, Li, N, Chen, Y, Himeno, H, Gao, N.
Deposit date:2016-11-09
Release date:2017-01-25
Last modified:2018-10-24
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Mechanistic insights into the alternative translation termination by ArfA and RF2
Nature, 541, 2017
5HAG
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BU of 5hag by Molmil
Structure of Chlamydia trachomatis effector protein ChlaDUB1
Descriptor: Deubiquitinase and deneddylase Dub1, GLYCEROL
Authors:Pruneda, J.N, Komander, D.
Deposit date:2015-12-30
Release date:2016-07-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Molecular Basis for Ubiquitin and Ubiquitin-like Specificities in Bacterial Effector Proteases.
Mol.Cell, 63, 2016
6XAA
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BU of 6xaa by Molmil
SARS CoV-2 PLpro in complex with ubiquitin propargylamide
Descriptor: Non-structural protein 3, Ubiquitin-propargylamide, ZINC ION
Authors:Klemm, T, Calleja, D.J, Richardson, L.W, Lechtenberg, B.C, Komander, D.
Deposit date:2020-06-04
Release date:2020-06-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mechanism and inhibition of the papain-like protease, PLpro, of SARS-CoV-2.
Embo J., 39, 2020
8WAF
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BU of 8waf by Molmil
Crystal structure of the C-terminal fragment (residues 756-982 with the C864S mutation) of Arabidopsis thaliana CHUP1
Descriptor: Protein CHUP1, chloroplastic
Authors:Shimada, A, Takano, A, Nakamura, Y, Kohda, D.
Deposit date:2023-09-07
Release date:2024-01-17
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:CHLOROPLAST UNUSUAL POSITIONING 1 is a plant-specific actin polymerization factor regulating chloroplast movement.
Plant Cell, 36, 2024
8WAG
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BU of 8wag by Molmil
Crystal structure of the C-terminal fragment (residues 716-982) of Arabidopsis thaliana CHUP1
Descriptor: Protein CHUP1, chloroplastic
Authors:Shimada, A, Nakamura, Y, Takano, A, Kohda, D.
Deposit date:2023-09-07
Release date:2024-01-17
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (3.003 Å)
Cite:CHLOROPLAST UNUSUAL POSITIONING 1 is a plant-specific actin polymerization factor regulating chloroplast movement.
Plant Cell, 36, 2024
8X43
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BU of 8x43 by Molmil
human KCNQ2-CaM-Ebio1-S1 complex in the presence of PIP2
Descriptor: Calmodulin-1, N-(4-azanyl-1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2
Authors:Ma, D, Guo, J.
Deposit date:2023-11-15
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3 Å)
Cite:A small-molecule activation mechanism that directly opens the KCNQ2 channel.
Nat.Chem.Biol., 2024

222415

数据于2024-07-10公开中

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