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9NAR
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BU of 9nar by Molmil
MicroED structure of papain microcrystals soaked with E-64 for 10 minutes
Descriptor: N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, 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
9NAE
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BU of 9nae by Molmil
MicroED structure of papain co-crystallized with E-64
Descriptor: N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, Papain
Authors:Vlahakis, N, Rodriguez, J.A.
Deposit date:2025-02-11
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
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
9NC1
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BU of 9nc1 by Molmil
MicroED structure of papain-E-64 complex from microcrystals soaked with protease inhibitor cocktail
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 (2.4 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
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
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
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
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
9NCA
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BU of 9nca by Molmil
MicroED structure of microcrystals soaked with a mixture of E-64, E-64C, and E-64D
Descriptor: N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-2-METHYL-BUTANE, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, Papain
Authors:Vlahakis, N, Rodriguez, J.A.
Deposit date:2025-02-15
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
9NAY
DownloadVisualize
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
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
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
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
4YVO
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BU of 4yvo by Molmil
Crystal Structure of the TPR Domain of Arabidopsis FLU (FLU-TPR)
Descriptor: Protein FLUORESCENT IN BLUE LIGHT, chloroplastic
Authors:Zhang, M, Zhang, F, Liu, L.
Deposit date:2015-03-20
Release date:2015-06-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The Non-canonical Tetratricopeptide Repeat (TPR) Domain of Fluorescent (FLU) Mediates Complex Formation with Glutamyl-tRNA Reductase.
J.Biol.Chem., 290, 2015
4JGV
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BU of 4jgv by Molmil
Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with THPN
Descriptor: 1-(3,4,5-trihydroxyphenyl)nonan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1
Authors:Zhang, Q, Li, F, Li, A, Tian, X, Wan, W, Wan, Y, Chen, H, Xing, Y, Wu, Q, Lin, T.
Deposit date:2013-03-04
Release date:2013-12-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Orphan nuclear receptor TR3 acts in autophagic cell death via mitochondrial signaling pathway.
Nat.Chem.Biol., 10, 2014
4YVQ
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BU of 4yvq by Molmil
Crystal Structure of FLU-TPR in Complex with the C-terminal Region of GluTR
Descriptor: Glutamyl-tRNA reductase 1, chloroplastic, Protein FLUORESCENT IN BLUE LIGHT
Authors:Zhang, M, Zhang, F, Liu, L.
Deposit date:2015-03-20
Release date:2015-06-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:The Non-canonical Tetratricopeptide Repeat (TPR) Domain of Fluorescent (FLU) Mediates Complex Formation with Glutamyl-tRNA Reductase.
J.Biol.Chem., 290, 2015
8IQ0
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BU of 8iq0 by Molmil
Crystal structure of hydrogen sulfide-bound superoxide dismutase in oxidized state
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, COPPER (II) ION, ...
Authors:Zhou, J.H, Huang, W.X, Cheng, R.X, Zhang, P.J, Zhu, Y.C.
Deposit date:2023-03-15
Release date:2023-09-06
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Hydrogen sulfide functions as a micro-modulator bound at the copper active site of Cu/Zn-SOD to regulate the catalytic activity of the enzyme.
Cell Rep, 42, 2023
8IQ1
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BU of 8iq1 by Molmil
Crystal structure of hydrogen sulfide-bound superoxide dismutase in reduced state
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, COPPER (II) ION, ...
Authors:Zhou, J.H, Huang, W.X, Cheng, R.X, Zhang, P.J, Zhu, Y.C.
Deposit date:2023-03-15
Release date:2023-09-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Hydrogen sulfide functions as a micro-modulator bound at the copper active site of Cu/Zn-SOD to regulate the catalytic activity of the enzyme.
Cell Rep, 42, 2023
5XUP
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BU of 5xup by Molmil
Crystal structure of TRF1 and TERB1
Descriptor: Telomere repeats-binding bouquet formation protein 1, Telomeric repeat-binding factor 1
Authors:Long, J, Huang, C, Wu, J, Lei, M.
Deposit date:2017-06-24
Release date:2017-11-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Telomeric TERB1-TRF1 interaction is crucial for male meiosis.
Nat. Struct. Mol. Biol., 24, 2017
6L4R
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BU of 6l4r by Molmil
Crystal structure of Enterovirus D68 RdRp
Descriptor: RdRp
Authors:Wang, M.L, Li, L, Zhang, Y, Chen, Y.P, Su, D.
Deposit date:2019-10-21
Release date:2020-06-10
Last modified:2025-03-05
Method:X-RAY DIFFRACTION (2.147 Å)
Cite:Structure of the enterovirus D68 RNA-dependent RNA polymerase in complex with NADPH implicates an inhibitor binding site in the RNA template tunnel.
J.Struct.Biol., 211, 2020
5NCY
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BU of 5ncy by Molmil
mPI3Kd IN COMPLEX WITH inh1
Descriptor: 1,2-ETHANEDIOL, 4-azanyl-6-[[(1~{S})-1-(3-methyl-5-oxidanylidene-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ...
Authors:Petersen, J.
Deposit date:2017-03-06
Release date:2017-06-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design and Synthesis of Soluble and Cell-Permeable PI3K delta Inhibitors for Long-Acting Inhaled Administration.
J. Med. Chem., 60, 2017

238582

数据于2025-07-09公开中

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