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7OMK
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BU of 7omk by Molmil
The NMR structure of the Zf-GRF domains from the mouse Endonuclease VIII-LIKE 3 (mNEIL3)
Descriptor: Endonuclease 8-like 3
Authors:Dinesh, D.C, Huskova, A, Srb, P, Veverka, V, Silhan, J.
Deposit date:2021-05-24
Release date:2022-06-01
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Model of abasic site DNA cross-link repair; from the architecture of NEIL3 DNA binding domains to the X-structure model.
Nucleic Acids Res., 50, 2022
7JS6
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BU of 7js6 by Molmil
Solution NMR structure of des-citrulassin F
Descriptor: des-citrulassin F
Authors:Harris, L.A, Mitchell, D.A.
Deposit date:2020-08-13
Release date:2020-12-16
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Reactivity-Based Screening for Citrulline-Containing Natural Products Reveals a Family of Bacterial Peptidyl Arginine Deiminases.
Acs Chem.Biol., 15, 2020
7UBF
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BU of 7ubf by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in 50% d6-DMSO and 50% water with cis/trans switching (CC conformation, 50%)
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBD
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BU of 7ubd by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (A-CC conformation)
Descriptor: Cyclic peptide D8.31 DAL-DPR-MLU-DVA-DAL-DPR-MLU-DVA
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBI
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BU of 7ubi by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in CDCl3 with cis/trans switching (TT conformation, 47%)
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBG
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BU of 7ubg by Molmil
Solution NMR structure of 9-residue Rosetta-designed cyclic peptide D9.16 in CDCl3 with cis/trans switching (A-TT conformation)
Descriptor: Cyclic peptide D9.16 DPR-MAA-ALA-DVA-MLE-LEU-LEU-PRO-DLE
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
8XZ2
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BU of 8xz2 by Molmil
The structural model of a homodimeric D-Ala-D-Ala metallopeptidase, VanX, from vancomycin-resistant bacteria
Descriptor: D-alanyl-D-alanine dipeptidase
Authors:Konuma, T, Takai, T, Tsuchiya, C, Nishida, M, Hashiba, M, Yamada, Y, Shirai, H, Motoda, Y, Nagadoi, A, Chikaishi, E, Akagi, K, Akashi, S, Yamazaki, T, Akutsu, H, Oe, A, Ikegami, T.
Deposit date:2024-01-20
Release date:2024-05-22
Method:SOLUTION NMR
Cite:Analysis of the homodimeric structure of a D-Ala-D-Ala metallopeptidase, VanX, from vancomycin-resistant bacteria.
Protein Sci., 33, 2024
6K8Q
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BU of 6k8q by Molmil
Solution structure of the intermembrane space domain of the mitochondrial import protein Tim21 from S. cerevisiae
Descriptor: Mitochondrial import inner membrane translocase subunit TIM21
Authors:Bala, S, Shinya, S, Srivastava, A, Shimada, A, Kobayashi, N, Kojima, C, Tama, F, Miyashita, O, Kohda, D.
Deposit date:2019-06-13
Release date:2019-09-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Crystal contact-free conformation of an intrinsically flexible loop in protein crystal: Tim21 as the case study.
Biochim Biophys Acta Gen Subj, 1864, 2020
8H0G
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BU of 8h0g by Molmil
AQEE-30 in a HFIP solution
Descriptor: AQEE-30
Authors:Park, O.-S, Jeon, Y.H, Cheong, C.
Deposit date:2022-09-28
Release date:2022-12-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of AQEE-30 of VGF Neuropeptide in Membrane-Mimicking Environments.
Int J Mol Sci, 23, 2022
8H0U
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BU of 8h0u by Molmil
AQEE-30 in a DPC solution
Descriptor: AQEE-30
Authors:Park, O.-S, Jeon, Y.H, Cheong, C.
Deposit date:2022-09-30
Release date:2022-12-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of AQEE-30 of VGF Neuropeptide in Membrane-Mimicking Environments.
Int J Mol Sci, 23, 2022
8HEQ
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BU of 8heq by Molmil
Solution structure of the periplasmic domain of the anti-sigma factor RsgI2 from Clostridium thermocellum
Descriptor: Anti-sigma-I factor RsgI2
Authors:Chen, C, Feng, Y.
Deposit date:2022-11-08
Release date:2023-05-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Essential autoproteolysis of bacterial anti-sigma factor RsgI for transmembrane signal transduction.
Sci Adv, 9, 2023
7NN6
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BU of 7nn6 by Molmil
periplasmic domain of Vibrio cholerae ToxR
Descriptor: ToxR
Authors:Gubensaek, N, Wagner, G.E, Zangger, K.
Deposit date:2021-02-24
Release date:2021-04-07
Last modified:2021-06-30
Method:SOLUTION NMR
Cite:The periplasmic domains of Vibriocholerae ToxR and ToxS are forming a strong heterodimeric complex independent on the redox state of ToxR cysteines.
Mol.Microbiol., 115, 2021
7NM2
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BU of 7nm2 by Molmil
Solution structure of MLKL executioner domain in complex with a fragment
Descriptor: 2-[(~{S})-methoxy-(4-propan-2-ylphenyl)methyl]-3~{H}-benzimidazole-5-carboxylic acid, Mixed lineage kinase domain-like protein
Authors:Ruebbelke, M, Bauer, M, Hamilton, J, Binder, F, Nar, H, Zeeb, M.
Deposit date:2021-02-23
Release date:2021-09-22
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Discovery and Structure-Based Optimization of Fragments Binding the Mixed Lineage Kinase Domain-like Protein Executioner Domain.
J.Med.Chem., 64, 2021
7NM5
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BU of 7nm5 by Molmil
Solution structure of MLKL executioner domain in complex with a fragment
Descriptor: 2-[(~{S})-methoxy-(4-phenylphenyl)methyl]-3~{H}-benzimidazole-5-carboxylic acid, Mixed lineage kinase domain-like protein
Authors:Ruebbelke, M, Bauer, M, Hamilton, J, Binder, F, Nar, H, Zeeb, M.
Deposit date:2021-02-23
Release date:2021-09-22
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Discovery and Structure-Based Optimization of Fragments Binding the Mixed Lineage Kinase Domain-like Protein Executioner Domain.
J.Med.Chem., 64, 2021
7NM4
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BU of 7nm4 by Molmil
Solution structure of MLKL executioner domain in complex with a fragment
Descriptor: (~{S})-1~{H}-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol, Mixed lineage kinase domain-like protein
Authors:Ruebbelke, M, Bauer, M, Hamilton, J, Binder, F, Nar, H, Zeeb, M.
Deposit date:2021-02-23
Release date:2021-09-22
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Discovery and Structure-Based Optimization of Fragments Binding the Mixed Lineage Kinase Domain-like Protein Executioner Domain.
J.Med.Chem., 64, 2021
8JIC
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BU of 8jic by Molmil
human telomere two-quartet G-quadruplex at pH 7.0
Descriptor: DNA (5'-D(*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*G)-3')
Authors:Wang, B, Galer, P, Plavec, J.
Deposit date:2023-05-26
Release date:2024-04-03
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Unveiling the structural mechanism of a G-quadruplex pH-Driven switch.
Biochimie, 214, 2023
8JIH
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BU of 8jih by Molmil
human telomere two-quartet G-quadruplex at pH 5.0
Descriptor: DNA (5'-D(*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*G)-3')
Authors:Wang, B, Galer, P, Plavec, J.
Deposit date:2023-05-26
Release date:2024-04-03
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Unveiling the structural mechanism of a G-quadruplex pH-Driven switch.
Biochimie, 214, 2023
8CWA
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BU of 8cwa by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in CDCl3 with cis/trans switching (TC conformation, 53%)
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-05-18
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7DVM
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BU of 7dvm by Molmil
DgkA structure in E.coli lipid bilayer
Descriptor: Diacylglycerol kinase
Authors:Li, J, Yang, J.
Deposit date:2021-01-13
Release date:2022-04-13
Last modified:2023-09-27
Method:SOLID-STATE NMR
Cite:Structure of membrane diacylglycerol kinase in lipid bilayers.
Commun Biol, 4, 2021
6W0O
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BU of 6w0o by Molmil
Amyloid-beta(1-40) fibril derived from Alzheimer's disease cortical tissue
Descriptor: Amyloid-beta precursor protein
Authors:Ghosh, U, Thurber, K.R, Tycko, R.
Deposit date:2020-03-02
Release date:2021-01-13
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (2.77 Å), SOLID-STATE NMR
Cite:Molecular structure of a prevalent amyloid-beta fibril polymorph from Alzheimer's disease brain tissue.
Proc.Natl.Acad.Sci.USA, 118, 2021
8Q7J
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BU of 8q7j by Molmil
Conformations of macrocyclic peptides sampled by exact NOEs: models for cell-permeability
Descriptor: CYCLOSPORIN A
Authors:Ruedisser, S.H, Matabaro, E, Sonderegger, L, Guentert, P, Kuenzler, M, Gossert, A.D.
Deposit date:2023-08-16
Release date:2023-12-06
Last modified:2024-01-03
Method:SOLUTION NMR
Cite:Conformations of Macrocyclic Peptides Sampled by Nuclear Magnetic Resonance: Models for Cell-Permeability.
J.Am.Chem.Soc., 145, 2023
8E2O
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BU of 8e2o by Molmil
Leveraging the Structure of DNAJA1 to Discover Novel Pancreatic Cancer Therapies
Descriptor: Isoform 2 of DnaJ homolog subfamily A member 1
Authors:Roth, H.E, Powers, R.
Deposit date:2022-08-15
Release date:2022-11-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Leveraging the Structure of DNAJA1 to Discover Novel Potential Pancreatic Cancer Therapies.
Biomolecules, 12, 2022
6GCJ
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BU of 6gcj by Molmil
Solution structure of the RodA hydrophobin from Aspergillus fumigatus
Descriptor: Hydrophobin
Authors:Pille, A, Kwan, A, Aimanianda, V, Latge, J.-P, Sunde, M, Guijarro, J.I.
Deposit date:2018-04-18
Release date:2019-03-27
Last modified:2019-09-04
Method:SOLUTION NMR
Cite:Assembly and disassembly of Aspergillus fumigatus conidial rodlets
Cell Surf, 2019
7RNO
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BU of 7rno by Molmil
Model of the Ac-6-FP/hpMR1/bB2m/TAPBPR complex from integrated docking, NMR and restrained MD
Descriptor: Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide, ...
Authors:McShan, A.C, Sgourakis, N.G.
Deposit date:2021-07-29
Release date:2022-05-11
Last modified:2022-08-10
Method:SOLUTION NMR
Cite:TAPBPR employs a ligand-independent docking mechanism to chaperone MR1 molecules.
Nat.Chem.Biol., 18, 2022
2FNF
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BU of 2fnf by Molmil
C1 domain of Nore1
Descriptor: ZINC ION, putative Ras Effector Nore1
Authors:Harjes, E, Harjes, S, Wohlgemuth, S, Krieger, E, Herrmann, C, Muller, K.H, Bayer, P.
Deposit date:2006-01-11
Release date:2006-02-07
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:GTP-Ras disrupts the intramolecular complex of C1 and RA domains of Nore1.
Structure, 14, 2006

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數據於2024-07-10公開中

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