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PDB: 103 results

8PVW
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BU of 8pvw by Molmil
Structure of a short E. coli adenylate kinase in complex with Ap5A
Descriptor: Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE
Authors:Rodriguez, J.A, Wolf Watz, M, Sauer-Eriksson, E.
Deposit date:2023-07-18
Release date:2025-02-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of a short E. coli adenylate kinase in complex with Ap5A
To Be Published
5VOS
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BU of 5vos by Molmil
VGSNKGAIIGL from Amyloid Beta determined by MicroED
Descriptor: Amyloid beta A4 protein
Authors:Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S, Griner, S.L, Gonen, T.
Deposit date:2017-05-03
Release date:2018-01-03
Last modified:2024-03-13
Method:ELECTRON CRYSTALLOGRAPHY (1.42 Å)
Cite:Common fibrillar spines of amyloid-beta and human islet amyloid polypeptide revealed by microelectron diffraction and structure-based inhibitors.
J. Biol. Chem., 293, 2018
8QIC
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BU of 8qic by Molmil
Structure-based identification of salicylic acid derivatives as malarial threonyl tRNA-synthetase inhibitors
Descriptor: 2-oxidanyl-5-[[4-(phenylmethyl)phenyl]sulfamoyl]benzoic acid, GLYCEROL, Threonine--tRNA ligase, ...
Authors:Rodriguez, J.A, Parisini, E.
Deposit date:2023-09-13
Release date:2024-04-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-based identification of salicylic acid derivatives as malarial threonyl tRNA-synthetase inhibitors.
Plos One, 19, 2024
6WX1
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BU of 6wx1 by Molmil
Antigen Binding Fragment of OKT9
Descriptor: GLYCEROL, OKT9 Fab Heavy Chain, OKT9 Fab Light Chain
Authors:Rodriguez, J.A, Helguera, G, Sawaya, M, Cascio, D, Collazo, M, Flores, M, Zink, S, Ferrero, S, Payes, C, Fuentes, D, Short, C.
Deposit date:2020-05-09
Release date:2021-05-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Antibody-Based Inhibition of Pathogenic New World Hemorrhagic Fever Mammarenaviruses by Steric Occlusion of the Human Transferrin Receptor 1 Apical Domain.
J.Virol., 95, 2021
4RIL
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BU of 4ril by Molmil
Structure of the amyloid forming segment, GAVVTGVTAVA, from the NAC domain of Parkinson's disease protein alpha-synuclein, residues 68-78, determined by electron diffraction
Descriptor: Alpha-synuclein
Authors:Rodriguez, J.A, Ivanova, M, Sawaya, M.R, Cascio, D, Reyes, F, Shi, D, Johnson, L, Guenther, E, Sangwan, S, Hattne, J, Nannenga, B, Brewster, A.S, Messerschmidt, M, Boutet, S, Sauter, N.K, Gonen, T, Eisenberg, D.S.
Deposit date:2014-10-06
Release date:2015-08-26
Last modified:2023-09-20
Method:ELECTRON CRYSTALLOGRAPHY (1.43 Å)
Cite:Structure of the toxic core of alpha-synuclein from invisible crystals.
Nature, 525, 2015
4ZNN
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BU of 4znn by Molmil
MicroED structure of the segment, GVVHGVTTVA, from the A53T familial mutant of Parkinson's disease protein, alpha-synuclein residues 47-56
Descriptor: Alpha-synuclein
Authors:Rodriguez, J.A, Ivanova, M, Sawaya, M.R, Cascio, D, Reyes, F, Shi, D, Johnson, L, Guenther, E, Sangwan, S, Hattne, J, Nannenga, B, Brewster, A.S, Messerschmidt, M, Boutet, S, Sauter, N.K, Gonen, T, Eisenberg, D.S.
Deposit date:2015-05-05
Release date:2015-09-09
Last modified:2024-03-06
Method:ELECTRON CRYSTALLOGRAPHY (1.41 Å)
Cite:Structure of the toxic core of alpha-synuclein from invisible crystals.
Nature, 525, 2015
5K2H
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BU of 5k2h by Molmil
Structure of GNNQQNY from yeast prion Sup35 in space group P212121 determined by MicroED
Descriptor: Eukaryotic peptide chain release factor GTP-binding subunit
Authors:Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S.
Deposit date:2016-05-18
Release date:2016-09-14
Last modified:2024-03-06
Method:ELECTRON CRYSTALLOGRAPHY (1.05 Å)
Cite:Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED.
Proc.Natl.Acad.Sci.USA, 113, 2016
5K2F
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BU of 5k2f by Molmil
Structure of NNQQNY from yeast prion Sup35 with cadmium acetate determined by MicroED
Descriptor: ACETATE ION, CADMIUM ION, Eukaryotic peptide chain release factor GTP-binding subunit
Authors:Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S.
Deposit date:2016-05-18
Release date:2016-09-14
Last modified:2024-03-06
Method:ELECTRON CRYSTALLOGRAPHY (1 Å)
Cite:Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED.
Proc.Natl.Acad.Sci.USA, 113, 2016
5K2E
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BU of 5k2e by Molmil
Structure of NNQQNY from yeast prion Sup35 with zinc acetate determined by MicroED
Descriptor: ACETIC ACID, Eukaryotic peptide chain release factor GTP-binding subunit, ZINC ION
Authors:Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S.
Deposit date:2016-05-18
Release date:2016-09-14
Last modified:2024-03-06
Method:ELECTRON CRYSTALLOGRAPHY (1 Å)
Cite:Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED.
Proc.Natl.Acad.Sci.USA, 113, 2016
5K2G
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BU of 5k2g by Molmil
Structure of GNNQQNY from yeast prion Sup35 in space group P21 determined by MicroED
Descriptor: Eukaryotic peptide chain release factor GTP-binding subunit
Authors:Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S.
Deposit date:2016-05-18
Release date:2016-09-14
Last modified:2024-03-06
Method:ELECTRON CRYSTALLOGRAPHY (1.1 Å)
Cite:Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED.
Proc.Natl.Acad.Sci.USA, 113, 2016
8G2V
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BU of 8g2v by Molmil
Cryo-EM structure of recombinant human LECT2 amyloid fibril core
Descriptor: Leukocyte cell-derived chemotaxin-2
Authors:Richards, L.S, Flores, M.D, Zink, S, Schibrowsky, N.A, Sawaya, M.R, Rodriguez, J.A.
Deposit date:2023-02-06
Release date:2023-08-16
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.715 Å)
Cite:Cryo-EM structure of a human LECT2 amyloid fibril reveals a network of polar ladders at its core.
Structure, 31, 2023
9NBJ
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BU of 9nbj by Molmil
Serial synchrotron X-ray diffraction structure of papain microcrystals soaked with E-64C
Descriptor: N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-2-METHYL-BUTANE, Papain
Authors:Vlahakis, N.W, Summers, J.A, Wakatsuki, S, Rodriguez, J.A.
Deposit date:2025-02-13
Release date:2025-03-26
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Combining MicroED and native mass spectrometry for structural discovery of enzyme-biosynthetic inhibitor complexes.
Biorxiv, 2025
9NB4
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BU of 9nb4 by Molmil
Serial synchrotron X-ray diffraction structure of papain microcrystals soaked with natural product E-64-A65
Descriptor: (3S)-4-({(1S)-2-[(8-aminooctyl)amino]-1-cyclobutyl-2-oxoethyl}amino)-3-hydroxy-4-oxobutanoic acid, Papain
Authors:Vlahakis, N.W, Summers, J.A, Wakatsuki, S, Rodriguez, J.A.
Deposit date:2025-02-13
Release date:2025-03-26
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Combining MicroED and native mass spectrometry for structural discovery of enzyme-biosynthetic inhibitor complexes.
Biorxiv, 2025
9NBF
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BU of 9nbf by Molmil
Serial synchrotron X-ray diffraction structure of papain microcrystals soaked with E-64
Descriptor: N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, Papain
Authors:Vlahakis, N.W, Summers, J.A, Wakatsuki, S, Rodriguez, J.A.
Deposit date:2025-02-13
Release date:2025-03-26
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Combining MicroED and native mass spectrometry for structural discovery of enzyme-biosynthetic inhibitor complexes.
Biorxiv, 2025
9NBK
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BU of 9nbk by Molmil
Serial synchrotron X-ray diffraction structure of papain microcrystals soaked with E-64D
Descriptor: Papain, ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate
Authors:Vlahakis, N.W, Summers, J.A, Wakatsuki, S, Rodriguez, J.A.
Deposit date:2025-02-13
Release date:2025-03-26
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Combining MicroED and native mass spectrometry for structural discovery of enzyme-biosynthetic inhibitor complexes.
Biorxiv, 2025
9NBN
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BU of 9nbn by Molmil
Serial synchrotron X-ray diffraction structure of papain microcrystals soaked with a mixture of E-64, E-64C, and E-64D
Descriptor: (3S)-4-{[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino}-3-hydroxy-4-oxobutanoic acid, Papain
Authors:Vlahakis, N.W, Summers, J.A, Wakatsuki, S, Rodriguez, J.A.
Deposit date:2025-02-14
Release date:2025-03-26
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Combining MicroED and native mass spectrometry for structural discovery of enzyme-biosynthetic inhibitor complexes.
Biorxiv, 2025
9NB7
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BU of 9nb7 by Molmil
Serial synchrotron X-ray diffraction structure of papain microcrystals soaked with natural product E405
Descriptor: (3R)-4-({(2S)-1-[(5-acetamidopentyl)amino]-1-oxo-3-phenylpropan-2-yl}amino)-3-hydroxy-4-oxobutanoic acid, Papain
Authors:Vlahakis, N.W, Summers, J.A, Wakatsuki, S, Rodriguez, J.A.
Deposit date:2025-02-13
Release date:2025-03-26
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Combining MicroED and native mass spectrometry for structural discovery of enzyme-biosynthetic inhibitor complexes.
Biorxiv, 2025
5G37
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BU of 5g37 by Molmil
MR structure of the binary mosquito larvicide BinAB at pH 5
Descriptor: 41.9 KDA INSECTICIDAL TOXIN, LARVICIDAL TOXIN 51 KDA PROTEIN
Authors:Colletier, J.P, Sawaya, M.R, Gingery, M, Rodriguez, J.A, Cascio, D, Brewster, A.S, Michels-Clark, T, Boutet, S, Williams, G.J, Messerschmidt, M, DePonte, D.P, Sierra, R.G, Laksmono, H, Koglin, J.E, Hunter, M.S, W Park, H, Uervirojnangkoorn, M, Bideshi, D.L, Brunger, A.T, Federici, B.A, Sauter, N.K, Eisenberg, D.S.
Deposit date:2016-04-24
Release date:2016-10-05
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:De Novo Phasing with X-Ray Laser Reveals Mosquito Larvicide Binab Structure.
Nature, 539, 2016
9NBP
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BU of 9nbp by Molmil
MicroED structure of the papain-E-64 complex from microcrystals mixed on-grid with microarrayed ligand
Descriptor: N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, Papain
Authors:Vlahakis, N, Rodriguez, J.A.
Deposit date:2025-02-14
Release date:2025-03-26
Method:ELECTRON CRYSTALLOGRAPHY (2.8 Å)
Cite:Combining MicroED and native mass spectrometry for structural discovery of enzyme-biosynthetic inhibitor complexes.
Biorxiv, 2025
9NAO
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BU of 9nao by Molmil
MicroED structure of papain complexed with natural product E64-A65
Descriptor: (3S)-4-({(1S)-2-[(8-aminooctyl)amino]-1-cyclobutyl-2-oxoethyl}amino)-3-hydroxy-4-oxobutanoic acid, Papain
Authors:Vlahakis, N.W, Rodriguez, J.A.
Deposit date:2025-02-12
Release date:2025-03-26
Method:ELECTRON CRYSTALLOGRAPHY (2.5 Å)
Cite:Combining MicroED and native mass spectrometry for structural discovery of enzyme-biosynthetic inhibitor complexes.
Biorxiv, 2025
9NB2
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BU of 9nb2 by Molmil
X-ray diffraction structure of papain soaked with E-64
Descriptor: N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, Papain
Authors:Vlahakis, N.W, Rodriguez, J.A.
Deposit date:2025-02-13
Release date:2025-03-26
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Combining MicroED and native mass spectrometry for structural discovery of enzyme-biosynthetic inhibitor complexes.
Biorxiv, 2025
9N9D
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BU of 9n9d by Molmil
MicroED structure of papain co-crystallized with E-64C
Descriptor: N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-2-METHYL-BUTANE, Papain
Authors:Vlahakis, N, Rodriguez, J.A.
Deposit date:2025-02-10
Release date:2025-03-26
Method:ELECTRON CRYSTALLOGRAPHY (2.2 Å)
Cite:Combining MicroED and native mass spectrometry for structural discovery of enzyme-biosynthetic inhibitor complexes.
Biorxiv, 2025
9NAX
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BU of 9nax by Molmil
MicroED structure of the papain-E-64 complex from microcrystals soaked with crude biosynthetic reaction mixture
Descriptor: N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, Papain
Authors:Vlahakis, N.W, Rodriguez, J.A.
Deposit date:2025-02-13
Release date:2025-03-26
Method:ELECTRON CRYSTALLOGRAPHY (2.3 Å)
Cite:Combining MicroED and native mass spectrometry for structural discovery of enzyme-biosynthetic inhibitor complexes.
Biorxiv, 2025
9NAY
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BU of 9nay by Molmil
MicroED structure of papain complexed with natural product E-64-A65 from microcrystals soaked in crude biosynthetic reaction mixture
Descriptor: (3S)-4-({(1S)-2-[(8-aminooctyl)amino]-1-cyclobutyl-2-oxoethyl}amino)-3-hydroxy-4-oxobutanoic acid, Papain
Authors:Vlahakis, N.W, Rodriguez, J.A.
Deposit date:2025-02-13
Release date:2025-03-26
Method:ELECTRON CRYSTALLOGRAPHY (2.5 Å)
Cite:Combining MicroED and native mass spectrometry for structural discovery of enzyme-biosynthetic inhibitor complexes.
Biorxiv, 2025
9NAG
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BU of 9nag by Molmil
MicroED structure of the apo-form of papain
Descriptor: Papain
Authors:Vlahakis, N, Rodriguez, J.A.
Deposit date:2025-02-12
Release date:2025-03-26
Method:ELECTRON CRYSTALLOGRAPHY (2.5 Å)
Cite:Combining MicroED and native mass spectrometry for structural discovery of enzyme-biosynthetic inhibitor complexes.
Biorxiv, 2025

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PDB entries from 2025-04-02

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