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2H9W
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BU of 2h9w by Molmil
Green fluorescent protein ground states: the influence of a second protonation site near the chromophore
Descriptor: Green fluorescent protein, SULFATE ION
Authors:Garau, G.
Deposit date:2006-06-12
Release date:2007-04-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Green Fluorescent Protein Ground States: The Influence of a Second Protonation Site near the Chromophore.
Biochemistry, 46, 2007
6ENM
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BU of 6enm by Molmil
Crystal structure of MMP12 in complex with hydroxamate inhibitor LP168.
Descriptor: 2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]-~{N}-oxidanyl-ethanamide, CALCIUM ION, Macrophage metalloelastase, ...
Authors:Vera, L, Nuti, E, Rossello, A, Stura, E.A.
Deposit date:2017-10-05
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies.
J. Med. Chem., 61, 2018
4RMS
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BU of 4rms by Molmil
Crystal structure of the D53N Beta-2 Microglobulin mutant
Descriptor: ACETATE ION, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER
Authors:de Rosa, M, Bolognesi, M, Ricagno, S.
Deposit date:2014-10-22
Release date:2015-11-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Decoding the Structural Bases of D76N 2-Microglobulin High Amyloidogenicity through Crystallography and Asn-Scan Mutagenesis.
Plos One, 10, 2015
2X89
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BU of 2x89 by Molmil
Structure of the Beta2_microglobulin involved in amyloidogenesis
Descriptor: ANTIBODY, BETA-2-MICROGLOBULIN
Authors:Domanska, K, Srinivasan, V, Vanderhaegen, S, Pardon, E, Marquez, J.A, Bellotti, V, Wyns, L, Steyaert, J.
Deposit date:2010-03-07
Release date:2011-01-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Atomic Structure of a Nanobody-Trapped Domain-Swapped Dimer of an Amyloidogenic {Beta}2-Microglobulin Variant.
Proc.Natl.Acad.Sci.USA, 108, 2011
4RMT
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BU of 4rmt by Molmil
Crystal structure of the D98N Beta-2 Microglobulin mutant
Descriptor: ACETATE ION, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
Authors:de Rosa, M, Bolognesi, M, Ricagno, S.
Deposit date:2014-10-22
Release date:2015-11-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.242 Å)
Cite:Decoding the Structural Bases of D76N 2-Microglobulin High Amyloidogenicity through Crystallography and Asn-Scan Mutagenesis.
Plos One, 10, 2015
4RMR
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BU of 4rmr by Molmil
Crystal structure of the D38N Beta-2 Microglobulin mutant
Descriptor: ACETATE ION, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER
Authors:de Rosa, M, Bolognesi, M, Ricagno, S.
Deposit date:2014-10-22
Release date:2015-11-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.529 Å)
Cite:Decoding the Structural Bases of D76N 2-Microglobulin High Amyloidogenicity through Crystallography and Asn-Scan Mutagenesis.
Plos One, 10, 2015
4RMQ
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BU of 4rmq by Molmil
Crystal structure of the D59N Beta-2 Microglobulin mutant
Descriptor: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER
Authors:de Rosa, M, Bolognesi, M, Ricagno, S.
Deposit date:2014-10-22
Release date:2015-11-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.461 Å)
Cite:Decoding the Structural Bases of D76N 2-Microglobulin High Amyloidogenicity through Crystallography and Asn-Scan Mutagenesis.
Plos One, 10, 2015
5DO6
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BU of 5do6 by Molmil
Crystal structure of Dendroaspis polylepis venom mambalgin-1 T23A mutant
Descriptor: 1,2-ETHANEDIOL, IODIDE ION, Mambalgin-1, ...
Authors:Stura, E.A, Tepshi, L, Kessler, P, Gilles, M, Servent, D.
Deposit date:2015-09-10
Release date:2015-12-30
Last modified:2017-01-25
Method:X-RAY DIFFRACTION (1.697 Å)
Cite:Mambalgin-1 Pain-relieving Peptide, Stepwise Solid-phase Synthesis, Crystal Structure, and Functional Domain for Acid-sensing Ion Channel 1a Inhibition.
J.Biol.Chem., 291, 2016
1RGJ
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BU of 1rgj by Molmil
NMR STRUCTURE OF THE COMPLEX BETWEEN ALPHA-BUNGAROTOXIN AND MIMOTOPE OF THE NICOTINIC ACETYLCHOLINE RECEPTOR WITH ENHANCED ACTIVITY
Descriptor: MIMOTOPE OF THE NICOTINIC ACETYLCHOLINE RECEPTOR, long neurotoxin 1
Authors:Bernini, A, Spiga, O, Ciutti, A, Scarselli, M, Bracci, L, Lozzi, L, Lelli, B, Neri, P, Niccolai, N.
Deposit date:2003-11-12
Release date:2003-11-25
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:NMR and MD studies on the interaction between ligand peptides and alpha-bungarotoxin.
J.Mol.Biol., 339, 2004
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
7UZL
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BU of 7uzl by Molmil
Solution NMR structure of 9-residue Rosetta-designed cyclic peptide D9.16 in CDCl3 with cis/trans switching (B-TC 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:2022-05-09
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
7UBC
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BU of 7ubc by Molmil
Solution NMR structure of 9-residue Rosetta-designed cyclic peptide D9.16 in d6-DMSO with cis/trans switching
Descriptor: Cyclic peptide D9.16 DPR-MAA-ALA-DVA-MLE-LEU-LEU-PRO-DLE
Authors:Ramelot, T.A, Tejero, R, Monteltione, 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
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
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
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
8CTO
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BU of 8cto by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT 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:2022-05-16
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
8CUN
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BU of 8cun 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:2022-05-17
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
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
5A5Z
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BU of 5a5z by Molmil
Approved Drugs Containing Thiols as Inhibitors of Metallo-beta- lactamases: Strategy To Combat Multidrug-Resistant Bacteria
Descriptor: BETA-LACTAMASE NDM-1, TIOPRONIN, ZINC ION
Authors:Klingler, F.M, Wichelhaus, T.A, Frank, D, Cuesta-Bernal, J, El-Delik, J, Mueller, H.F, Sjuts, H, Goettig, S, Koenigs, A, Pogoryelov, D, Proschak, E.
Deposit date:2015-06-23
Release date:2015-07-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Approved Drugs Containing Thiols as Inhibitors of Metallo-beta-lactamases: Strategy To Combat Multidrug-Resistant Bacteria.
J. Med. Chem., 58, 2015
4MRB
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BU of 4mrb by Molmil
Wild Type Human Transthyretin pH 7.5
Descriptor: CALCIUM ION, Transthyretin
Authors:Chen, W.J, Wood, S.P.
Deposit date:2013-09-17
Release date:2014-01-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Proteolytic cleavage of Ser52Pro variant transthyretin triggers its amyloid fibrillogenesis.
Proc.Natl.Acad.Sci.USA, 111, 2014
4MRC
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BU of 4mrc by Molmil
Human Transthyretin Ser52Pro Mutant
Descriptor: CALCIUM ION, Transthyretin
Authors:Chen, W.J, Wood, S.P.
Deposit date:2013-09-17
Release date:2014-01-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Proteolytic cleavage of Ser52Pro variant transthyretin triggers its amyloid fibrillogenesis.
Proc.Natl.Acad.Sci.USA, 111, 2014
6WHO
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BU of 6who by Molmil
Histone deacetylases complex with peptide macrocycles
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ...
Authors:Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D.
Deposit date:2020-04-08
Release date:2021-04-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
6WHN
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BU of 6whn by Molmil
Histone deacetylases complex with peptide macrocycles
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ...
Authors:Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D.
Deposit date:2020-04-08
Release date:2021-04-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021

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数据于2024-07-10公开中

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