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5UBS
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BU of 5ubs by Molmil
Solution NMR Structure of NERD-S, a natively folded pentamutant of the B1 domain of streptococcal protein G (GB1) with a solvent-exposed Trp43
Descriptor: Immunoglobulin G-binding protein G
Authors:Damry, A.M, Davey, J.A, Goto, N.K, Chica, R.A.
Deposit date:2016-12-21
Release date:2017-08-23
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Rational design of proteins that exchange on functional timescales.
Nat. Chem. Biol., 13, 2017
5TBN
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BU of 5tbn by Molmil
Solution NMR structure of PHF20 PHD domain in complex with a histone H3K4me2 peptide
Descriptor: Histone H3.1, PHD finger protein 20, ZINC ION
Authors:Cui, G, Botuyan, M.V, Mer, G.
Deposit date:2016-09-12
Release date:2016-10-12
Last modified:2019-12-04
Method:SOLUTION NMR
Cite:PHF20 Readers Link Methylation of Histone H3K4 and p53 with H4K16 Acetylation.
Cell Rep, 17, 2016
6XRY
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BU of 6xry by Molmil
Intrinsically disordered bacterial polar organizing protein Z, PopZ, interacts with protein binding partners through an N-terminal Molecular Recognition Feature
Descriptor: Polar organizing protein Z
Authors:Nordyke, C.T, Ahmed, Y.M, Puterbaugh, R.Z, Bowman, G.R, Varga, K.
Deposit date:2020-07-14
Release date:2020-11-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Intrinsically Disordered Bacterial Polar Organizing Protein Z, PopZ, Interacts with Protein Binding Partners Through an N-terminal Molecular Recognition Feature.
J.Mol.Biol., 432, 2020
5U9V
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BU of 5u9v by Molmil
Ocellatin-LB1, solution structure in DPC micelle by NMR spectroscopy
Descriptor: Ocellatin-LB1
Authors:Gusmao, K.A.G, dos Santos, D.M, Santos, V.M, Pilo-Veloso, D, de Lima, M.E, Resende, J.M.
Deposit date:2016-12-18
Release date:2017-03-29
Method:SOLUTION NMR
Cite:Ocellatin-LB1
To Be Published
5UB0
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BU of 5ub0 by Molmil
Solution NMR Structure of NERD-C, a natively folded tetramutant of the B1 domain of streptococcal protein G (GB1)
Descriptor: Immunoglobulin G-binding protein G
Authors:Damry, A.M, Davey, J.A, Goto, N.K, Chica, R.A.
Deposit date:2016-12-20
Release date:2017-08-23
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Rational design of proteins that exchange on functional timescales.
Nat. Chem. Biol., 13, 2017
8HVS
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BU of 8hvs by Molmil
Solution Structure of the Antimicrobial Peptide HT-2
Descriptor: ARG-PHE-LEU-ARG-ARG-ILE-PHE-PHE-PHE-PHE
Authors:Li, S, Yang, A.
Deposit date:2022-12-27
Release date:2023-10-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Design and evaluation of tadpole-like conformational antimicrobial peptides.
Commun Biol, 6, 2023
8HWU
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BU of 8hwu by Molmil
Solution structure of frog peptide LL-TIL
Descriptor: LL-TIL
Authors:Rami, M.J, Sarma, S.P.
Deposit date:2023-01-03
Release date:2023-11-15
Method:SOLUTION NMR
Cite:Structural, Functional, and Mutational Studies of a Potent Subtilisin Inhibitor from Budgett's Frog, Lepidobatrachus laevis.
Biochemistry, 62, 2023
8JFQ
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BU of 8jfq by Molmil
Structure of the Major G-Quadruplex in the Human EGFR Oncogene Promoter Adopts a Unique Folding Topology with a Distinctive Snap-back Loop
Descriptor: 26mer-DNA
Authors:Liu, Y, Li, J, Zhang, Y, Wang, Y, Chen, J, Bian, Y, Xia, Y, Yang, M.H, Zheng, K, Wang, K.B, Kong, L.Y.
Deposit date:2023-05-18
Release date:2023-08-02
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of the Major G-Quadruplex in the Human EGFR Oncogene Promoter Adopts a Unique Folding Topology with a Distinctive Snap-Back Loop.
J.Am.Chem.Soc., 145, 2023
8J3Q
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BU of 8j3q by Molmil
Solution structure of LL-TILmut1
Descriptor: LL-TIL_mut1
Authors:Rami, M.J, Sarma, S.P.
Deposit date:2023-04-18
Release date:2023-11-15
Method:SOLUTION NMR
Cite:Structural, Functional, and Mutational Studies of a Potent Subtilisin Inhibitor from Budgett's Frog, Lepidobatrachus laevis.
Biochemistry, 62, 2023
8IVB
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BU of 8ivb by Molmil
K113-Ubiquitinated BAK
Descriptor: Bcl-2 homologous antagonist/killer, Ubiquitin
Authors:Dong, X, Cheng, P, Hou, Y.Z, Chen, Y.K, Liu, Z.
Deposit date:2023-03-26
Release date:2024-01-31
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Parkin-mediated ubiquitination inhibits BAK apoptotic activity by blocking its canonical hydrophobic groove.
Commun Biol, 6, 2023
5T8A
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BU of 5t8a by Molmil
Recombinant cytotoxin-I from the venom of cobra N. oxiana
Descriptor: Cytotoxin 1
Authors:Dubovskii, P.V, Dubinnyi, M.A, Shulepko, M.A, Lyukmanova, E.N, Dolgikh, D.A, Kirpichnikov, M.P, Efremov, R.G.
Deposit date:2016-09-07
Release date:2017-09-20
Last modified:2019-05-08
Method:SOLUTION NMR
Cite:Structural and Dynamic "Portraits" of Recombinant and Native Cytotoxin I from Naja oxiana: How Close Are They?
Biochemistry, 56, 2017
5UZT
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BU of 5uzt by Molmil
Structure of wild type pre-miR21 apical loop
Descriptor: pre-miR-21
Authors:Shortridge, M.D, Varani, G.
Deposit date:2017-02-27
Release date:2017-05-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A Macrocyclic Peptide Ligand Binds the Oncogenic MicroRNA-21 Precursor and Suppresses Dicer Processing.
ACS Chem. Biol., 12, 2017
7JK8
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BU of 7jk8 by Molmil
EmrE S64V mutant bound to tetra(4-fluorophenyl)phosphonium at pH 5.8
Descriptor: Multidrug SMR transporter, tetrakis(4-fluorophenyl)phosphanium
Authors:Shcherbakov, A.A, Hisao, G, Mandala, V.S, Thomas, N.E, Soltani, M, Salter, E.A, Davis Jr, J.H, Henzler-Wildman, K.A, Hong, M.
Deposit date:2020-07-27
Release date:2020-12-09
Last modified:2024-05-01
Method:SOLID-STATE NMR
Cite:Structure and dynamics of the drug-bound bacterial transporter EmrE in lipid bilayers.
Nat Commun, 12, 2021
7JVF
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BU of 7jvf by Molmil
Solution NMR structure of Prochlorosin 2.10 produced by Prochlorococcus MIT 9313
Descriptor: Prochlorosin 2.10
Authors:Bobeica, S.C, van der Donk, W.A, Zhu, L.
Deposit date:2020-08-21
Release date:2020-09-09
Last modified:2024-07-10
Method:SOLUTION NMR
Cite:Structural determinants of macrocyclization in substrate-controlled lanthipeptide biosynthetic pathways.
Chem Sci, 11, 2020
7UBE
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BU of 7ube by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in d6-DMSO with cis/trans switching
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
7UBH
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BU of 7ubh by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in CDCl3 with cis/trans switching
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
4A24
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BU of 4a24 by Molmil
Structural and functional analysis of the DEAF-1 and BS69 MYND domains
Descriptor: DEFORMED EPIDERMAL AUTOREGULATORY FACTOR 1 HOMOLOG, ZINC ION
Authors:Kateb, F, Perrin, H, Tripsianes, K, Zou, P, Spadaccini, R, Bottomley, M, Bepperling, A, Ansieau, S, Sattler, M.
Deposit date:2011-09-22
Release date:2012-11-07
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural and Functional Analysis of the Deaf-1 and Bs69 Mynd Domains.
Plos One, 8, 2013
5IAZ
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BU of 5iaz by Molmil
The C-terminal domain of rice beta-galactosidase 1
Descriptor: beta-galactosidase 1
Authors:Rimlumduan, T, Hua, Y.-l, Tanaka, T, Ketudat-Cairns, J.R.
Deposit date:2016-02-22
Release date:2016-08-10
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure of a plant beta-galactosidase C-terminal domain
Biochim.Biophys.Acta, 1864, 2016
7BQQ
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BU of 7bqq by Molmil
Solution NMR structure of fold-Z Gogy; de novo designed protein with an asymmetric all-alpha topology
Descriptor: Gogy
Authors:Kobayashi, N, Sugiki, T, Fujiwara, T, Sakuma, K, Kosugi, T, Koga, R, Koga, N.
Deposit date:2020-03-25
Release date:2021-04-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Design of complicated all-alpha protein structures
Nat.Struct.Mol.Biol., 2024
7BQM
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BU of 7bqm by Molmil
Solution NMR structure of fold-0 Chantal; de novo designed protein with an asymmetric all-alpha topology
Descriptor: Chantal
Authors:Kobayashi, N, Sugiki, T, Fujiwara, T, Sakuma, K, Kosugi, T, Koga, R, Koga, N.
Deposit date:2020-03-25
Release date:2021-04-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Design of complicated all-alpha protein structures
Nat.Struct.Mol.Biol., 2024
7BQN
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BU of 7bqn by Molmil
Solution NMR structure of fold-C Rei; de novo designed protein with an asymmetric all-alpha topology
Descriptor: Rei
Authors:Kobayashi, N, Sugiki, T, Fujiwara, T, Sakuma, K, Kosugi, T, Koga, R, Koga, N.
Deposit date:2020-03-25
Release date:2021-04-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Design of complicated all-alpha protein structures
Nat.Struct.Mol.Biol., 2024
4D76
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BU of 4d76 by Molmil
Human FXIa in complex with small molecule inhibitors.
Descriptor: COAGULATION FACTOR XI, GLYCEROL, N-[(2S)-1-({5-[(diaminomethylidene)amino]pentyl}amino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide, ...
Authors:Sandmark, J, Oster, L, Jacso, T, Ullah, V, Redzick, A, Borjesson, U, Olsson, T, Norberg, M, Akerud, T.
Deposit date:2014-11-20
Release date:2016-01-20
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:From Mm Fragments to Nm Compounds Using Iloe-NMR to Guide Linking of Compounds in Fragment Based Drug Discovery (Fbdd).
To be Published
5HOU
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BU of 5hou by Molmil
Solution Structure of p53TAD-TAZ1
Descriptor: Cellular tumor antigen p53,CREB-binding protein fusion protein, ZINC ION
Authors:Krois, A.S, Ferreon, J.C, Martinez-Yamout, M.A, Dyson, H.J, Wright, P.E.
Deposit date:2016-01-19
Release date:2016-03-16
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Recognition of the disordered p53 transactivation domain by the transcriptional adapter zinc finger domains of CREB-binding protein.
Proc.Natl.Acad.Sci.USA, 113, 2016
7MY8
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BU of 7my8 by Molmil
Fusion Peptide of SARS-CoV-2 Spike Rearranges into a Wedge Inserted in Bilayered Micelles
Descriptor: Spike protein S2
Authors:Koppisetti, R.K, Fulcher, Y.G, Van Doren, S.R.
Deposit date:2021-05-20
Release date:2021-08-18
Last modified:2021-09-08
Method:SOLUTION NMR
Cite:Fusion Peptide of SARS-CoV-2 Spike Rearranges into a Wedge Inserted in Bilayered Micelles.
J.Am.Chem.Soc., 143, 2021
4D7F
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BU of 4d7f by Molmil
Human FXIa in complex with small molecule inhibitors.
Descriptor: COAGULATION FACTOR XI, GLYCEROL, N-[(2S)-1-({4-[(diaminomethylidene)amino]butyl}amino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide, ...
Authors:Sandmark, J, Oster, L, Jacso, T, Ullah, V, Redzick, A, Borjesson, U, Olsson, T, Norberg, M, Akerud, T.
Deposit date:2014-11-24
Release date:2016-01-20
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:From Mm Fragments to Nm Compounds Using Iloe-NMR to Guide Linking of Compounds in Fragment Based Drug Discovery (Fbdd).
To be Published

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PDB entries from 2024-07-10

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