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7PQ4
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BU of 7pq4 by Molmil
NMR Structure of RgpB C-terminal Domain
Descriptor: Arginine-specific cysteine proteinase (Arg-gingipain)
Authors:Dorgan, B.J, Curtis, M.A, Garnett, J.A.
Deposit date:2021-09-16
Release date:2022-09-28
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural Model of a Porphyromonas gingivalis type IX Secretion System Shuttle Complex.
J.Mol.Biol., 434, 2022
7M1W
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BU of 7m1w by Molmil
NMR structure of the Human T-cell leukemia virus 1 matrix protein
Descriptor: Matrix protein p19
Authors:Herrmann, D, Saad, J.S.
Deposit date:2021-03-15
Release date:2021-09-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Insights into the Mechanism of Human T-cell Leukemia Virus Type 1 Gag Targeting to the Plasma Membrane for Assembly.
J.Mol.Biol., 433, 2021
5LWC
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BU of 5lwc by Molmil
NMR solution structure of bacteriocin BacSp222 from Staphylococcus pseudintermedius 222
Descriptor: Bacteriocin BacSp222
Authors:Nowakowski, M.E, Ejchart, A.O, Jaremko, L, Wladyka, B, Mak, P.
Deposit date:2016-09-15
Release date:2017-10-25
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Spatial attributes of the four-helix bundle group of bacteriocins - The high-resolution structure of BacSp222 in solution.
Int.J.Biol.Macromol., 107, 2018
6BJF
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BU of 6bjf by Molmil
NMR Structural and biophysical functional analysis of intracellular loop 5 of the NHE1 isoform of the Na+/H+ exchanger.
Descriptor: GLY-LEU-THR-TRP-PHE-ILE-ASN-LYS-PHE-ARG-ILE-VAL-LYS
Authors:McKay, R, Wong, K, Towle, K, Fliegel, L.
Deposit date:2017-11-06
Release date:2018-11-14
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Diverse residues of intracellular loop 5 of the Na+/H+exchanger modulate proton sensing, expression, activity and targeting.
Biochim Biophys Acta Biomembr, 1861, 2019
7P55
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BU of 7p55 by Molmil
NMR structure of human ACE2 21-42 fragment in HFIP/water 50/50 v/v
Descriptor: Processed angiotensin-converting enzyme 2
Authors:Santoro, A, Buonocore, M, Grimaldi, M, D'Ursi, A.M.
Deposit date:2021-07-14
Release date:2022-07-27
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural analysis of a simplified model reproducing SARS-CoV-2 S RBD/ACE2 binding site.
Heliyon, 8, 2022
7P5Q
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BU of 7p5q by Molmil
NMR structure of a peptide deriving from SARS-CoV-2 Lineage B.1.1.7 S RBD 482-506 fragment in HFIP/H2O
Descriptor: Spike glycoprotein
Authors:Santoro, A, Buonocore, M, Grimaldi, M, D'Ursi, A.M.
Deposit date:2021-07-14
Release date:2022-07-27
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural analysis of a simplified model reproducing SARS-CoV-2 S RBD/ACE2 binding site.
Heliyon, 8, 2022
7P5S
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BU of 7p5s by Molmil
NMR structure of a peptide deriving from SARS-CoV-2 Lineages P.1 and B.1.351 S RBD 482-506 fragment in HFIP/H2O
Descriptor: Spike glycoprotein
Authors:Santoro, A, Buonocore, M, Grimaldi, M, D'Ursi, A.M.
Deposit date:2021-07-14
Release date:2022-07-27
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural analysis of a simplified model reproducing SARS-CoV-2 S RBD/ACE2 binding site.
Heliyon, 8, 2022
7P5G
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BU of 7p5g by Molmil
NMR structure of a peptide deriving from SARS-CoV-2 S RBD 482-506 fragment in HFIP/H2O
Descriptor: Spike glycoprotein
Authors:Santoro, A, Buonocore, M, Grimaldi, M, D'Ursi, A.M.
Deposit date:2021-07-14
Release date:2022-07-27
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural analysis of a simplified model reproducing SARS-CoV-2 S RBD/ACE2 binding site.
Heliyon, 8, 2022
8B1L
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BU of 8b1l by Molmil
NMR structure of the antimicrobial peptide Of-Pis1 in DPC micelles
Descriptor: Piscidin
Authors:Alaimo, N, Bischetti, M, Gallo, M, Cicero, D.O.
Deposit date:2022-09-10
Release date:2022-11-23
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural insights on the selective interaction of the histidine-rich piscidin antimicrobial peptide Of-Pis1 with membranes.
Biochim Biophys Acta Biomembr, 1865, 2022
5O2Y
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BU of 5o2y by Molmil
NMR structure of the calcium bound form of PulG, major pseudopilin from Klebsiella oxytoca T2SS
Descriptor: CALCIUM ION, General secretion pathway protein G
Authors:Lopez-Castilla, A, Bardiaux, B, Vitorge, B, Thomassin, J.-L, Zheng, W, Yu, X, Egelman, E.H, Nilges, M, Francetic, O, Izadi-Pruneyre, N.
Deposit date:2017-05-23
Release date:2017-10-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of the calcium-dependent type 2 secretion pseudopilus.
Nat Microbiol, 2, 2017
4Q03
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BU of 4q03 by Molmil
Second-site screening of K-Ras in the presence of covalently attached first-site ligands
Descriptor: 4-bromobenzenethiol, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W.
Deposit date:2014-03-31
Release date:2014-09-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.201 Å)
Cite:A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand.
J.Biomol.Nmr, 60, 2014
4PZY
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BU of 4pzy by Molmil
Second-site screening of K-Ras in the presence of covalently attached first-site ligands
Descriptor: 2-chloro-1-(1H-indol-3-yl)ethanone, GUANOSINE-5'-DIPHOSPHATE, K-Ras, ...
Authors:Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W.
Deposit date:2014-03-31
Release date:2014-09-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand.
J.Biomol.Nmr, 60, 2014
4Q01
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BU of 4q01 by Molmil
Second-site screening of K-Ras in the presence of covalently attached first-site ligands
Descriptor: GUANOSINE-5'-DIPHOSPHATE, K-Ras, MAGNESIUM ION, ...
Authors:Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W.
Deposit date:2014-03-31
Release date:2014-09-10
Method:X-RAY DIFFRACTION (1.291 Å)
Cite:A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand.
J.Biomol.Nmr, 60, 2014
4PZZ
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BU of 4pzz by Molmil
Second-site screening of K-Ras in the presence of covalently attached first-site ligands
Descriptor: 1H-benzimidazol-2-ylmethanethiol, GUANOSINE-5'-DIPHOSPHATE, K-Ras, ...
Authors:Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W.
Deposit date:2014-03-31
Release date:2014-09-10
Method:X-RAY DIFFRACTION (1.403 Å)
Cite:A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand.
J.Biomol.Nmr, 60, 2014
4Q02
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BU of 4q02 by Molmil
Second-site screening of K-Ras in the presence of covalently attached first-site ligands
Descriptor: 3,4-difluorobenzenethiol, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W.
Deposit date:2014-03-31
Release date:2014-09-10
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand.
J.Biomol.Nmr, 60, 2014
4A52
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BU of 4a52 by Molmil
NMR structure of the imipenem-acylated L,D-transpeptidase from Bacillus subtilis
Descriptor: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid, PUTATIVE L, D-TRANSPEPTIDASE YKUD
Authors:Lecoq, L, Simorre, J, Bougault, C, Arthur, M, Hugonnet, J, Veckerle, C, Pessey, O.
Deposit date:2011-10-24
Release date:2012-05-30
Last modified:2018-01-24
Method:SOLUTION NMR
Cite:Dynamics Induced by Beta-Lactam Antibiotics in the Active Site of Bacillus subtilis L,D-Transpeptidase.
Structure, 20, 2012
7X8M
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BU of 7x8m by Molmil
NMR Solution Structure of the 2:1 Berberine-KRAS-G4 Complex
Descriptor: BERBERINE, DNA (24-MER)
Authors:Wang, K.B, Liu, Y, Li, J, Xiao, C, Gu, W, Li, Y, Xia, Y.Z, Yan, T, Yang, M.H, Kong, L.Y.
Deposit date:2022-03-14
Release date:2022-09-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural insight into the bulge-containing KRAS oncogene promoter G-quadruplex bound to berberine and coptisine.
Nat Commun, 13, 2022
7X8O
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BU of 7x8o by Molmil
NMR Solution Structure of the 2:1 Coptisine-KRAS-G4 Complex
Descriptor: 6,7-dihydro[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquino[3,2-a]isoquinolin-5-ium, DNA (24-MER)
Authors:Wang, K.B, Liu, Y, Li, J, Xiao, C, Gu, W, Li, Y, Xia, Y.Z, Yan, T, Yang, M.H, Kong, L.Y.
Deposit date:2022-03-14
Release date:2022-09-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural insight into the bulge-containing KRAS oncogene promoter G-quadruplex bound to berberine and coptisine.
Nat Commun, 13, 2022
7X8N
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BU of 7x8n by Molmil
NMR Solution Structure of the Wild-type Bulge-containing KRAS-G4
Descriptor: DNA (24-mer)
Authors:Wang, K.B, Liu, Y, Li, J, Xiao, C, Gu, W, Li, Y, Xia, Y.Z, Yan, T, Yang, M.H, Kong, L.Y.
Deposit date:2022-03-14
Release date:2022-09-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural insight into the bulge-containing KRAS oncogene promoter G-quadruplex bound to berberine and coptisine.
Nat Commun, 13, 2022
7LNS
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BU of 7lns by Molmil
NMR solution structure of PsDef2 defensin from P. sylvestris
Descriptor: Defensin-2
Authors:Nesmelova, I.V, Kovaleva, V, Hrunyk, N.I, Yusypovych, Y.M, Shalovylo, Y.I.
Deposit date:2021-02-08
Release date:2022-03-30
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure, dynamics, and function of PsDef2 defensin from Pinus sylvestris.
Structure, 30, 2022
6UZJ
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BU of 6uzj by Molmil
NMR structure of the HACS1 SH3 domain
Descriptor: SAM domain-containing protein SAMSN-1
Authors:Donaldson, L.W.
Deposit date:2019-11-15
Release date:2019-11-27
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:HACS1 signaling adaptor protein recognizes a motif in the paired immunoglobulin receptor B cytoplasmic domain.
Commun Biol, 3, 2020
6PTS
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BU of 6pts by Molmil
NMR data-driven model of KRas-GMPPNP:RBD-CRD complex tethered to a nanodisc (state A)
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, GTPase KRas, ...
Authors:Fang, Z, Lee, K, Gasmi-Seabrook, G, Ikura, M, Marshall, C.B.
Deposit date:2019-07-16
Release date:2020-05-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Multivalent assembly of KRAS with the RAS-binding and cysteine-rich domains of CRAF on the membrane.
Proc.Natl.Acad.Sci.USA, 117, 2020
6PTW
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BU of 6ptw by Molmil
NMR data-driven model of KRas-GMPPNP:RBD-CRD complex tethered to a nanodisc (state B)
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, GTPase KRas, ...
Authors:Fang, Z, Lee, K, Gasmi-Seabrook, G, Ikura, M, Marshall, C.B.
Deposit date:2019-07-16
Release date:2020-05-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Multivalent assembly of KRAS with the RAS-binding and cysteine-rich domains of CRAF on the membrane.
Proc.Natl.Acad.Sci.USA, 117, 2020
7VKV
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BU of 7vkv by Molmil
NMR structure of the zeta-subunit of the F1F0-ATPase from Sinorhizobium meliloti
Descriptor: zeta-subunit
Authors:Yang, L.Y, Mendoza-Hoffmann, F, Buratto, D.
Deposit date:2021-10-01
Release date:2021-10-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Inhibitory to non-inhibitory evolution of the zeta subunit of the F 1 F O -ATPase of Paracoccus denitrificans and alpha-proteobacteria as related to mitochondrial endosymbiosis.
Front Mol Biosci, 10, 2023
6O0I
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BU of 6o0i by Molmil
NMR ensemble of computationally designed protein XAA
Descriptor: Design construct XAA
Authors:Wei, K.Y, Moschidi, D, Nerli, S, Sgourakis, N, Baker, D.
Deposit date:2019-02-16
Release date:2020-04-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Computational design of closely related proteins that adopt two well-defined but structurally divergent folds.
Proc.Natl.Acad.Sci.USA, 117, 2020

223532

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