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SSX structure of Lysozyme grown in batch conditions
Descriptor:	CHLORIDE ION, Lysozyme C
Authors:	Stubbs, J, Tews, I, Maly, M.
Deposit date:	2024-02-19
Release date:	2024-02-28
Last modified:	2024-11-13
Method:	X-RAY DIFFRACTION (1.8 Å)
Cite:	Droplet microfluidics for time-resolved serial crystallography. Iucrj, 11, 2024

9N9D

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

9MRW

Functional Implications of Hexameric Dynamics in SARS-CoV-2 Nsp15
Descriptor:	Uridylate-specific endoribonuclease nsp15
Authors:	Ketawala, G.K, Sonowal, M, Schrag, L, Fromme, R, Botha, S, Fromme, P.
Deposit date:	2025-01-08
Release date:	2025-06-04
Method:	X-RAY DIFFRACTION (3 Å)
Cite:	Functional implications of hexameric dynamics in SARS-CoV-2 Nsp15. Protein Sci., 34, 2025

9MRY

Functional Implications of HexamericDynamics in SARS-CoV-2 Nsp15
Descriptor:	Uridylate-specific endoribonuclease nsp15
Authors:	Ketawala, G.K, Sonowal, M, Schrag, L, Fromme, R, Botha, S, Fromme, P.
Deposit date:	2025-01-09
Release date:	2025-06-04
Method:	X-RAY DIFFRACTION (3 Å)
Cite:	Functional implications of hexameric dynamics in SARS-CoV-2 Nsp15. Protein Sci., 34, 2025

9ORS

MicroED structure of CTX-M-14 beta-lactamase co-crystallized with avibactam
Descriptor:	(2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
Authors:	Vlahakis, N.W, Rodriguez, J.A, Jacobs, L.M.C, Chen, Y.
Deposit date:	2025-05-22
Release date:	2025-06-18
Method:	ELECTRON CRYSTALLOGRAPHY (2 Å)
Cite:	Combining MicroED and native mass spectrometry for structural discovert of enzyme-small molecule complexes To Be Published

9NCC

Serial synchrotron X-ray diffraction structure of the apo form of papain
Descriptor:	Papain
Authors:	Vlahakis, N.W, Summers, J.A, Wakatsuki, S, Rodriguez, J.A.
Deposit date:	2025-02-15
Release date:	2025-06-18
Method:	X-RAY DIFFRACTION (1.8 Å)
Cite:	Combining MicroED and native mass spectrometry for structural discovery of enzyme-biosynthetic inhibitor complexes To Be Published

9NAX

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

9NBF

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

9NAR

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

9ORH

MicroED structure of the CTX-M-14 beta-lactamase-avibactam complex from inhibitor cocktail-soaked crystals
Descriptor:	(2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
Authors:	Vlahakis, N, Rodriguez, J.A, Jacobs, L.M.C, Chen, Y.
Deposit date:	2025-05-22
Release date:	2025-06-18
Method:	ELECTRON CRYSTALLOGRAPHY (2 Å)
Cite:	Combining MicroED and native mass spectrometry for structural discovery of enzyme-small molecules complexes To Be Published

9OS8

MicroED structure of lysozyme soaked with N,N',N"-triacetylchitotriose
Descriptor:	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lysozyme C
Authors:	Vlahakis, N.W, Flowers, C.W, Rodriguez, J.A.
Deposit date:	2025-05-23
Release date:	2025-06-18
Method:	ELECTRON CRYSTALLOGRAPHY (2.3 Å)
Cite:	Combining MicroED and native mass spectrometry for structural discovery of enzyme-small molecule complexes To Be Published

9NBP

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

9NC1

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

9ORL

MicroED structure of CTX-M-14 beta-lactamase soaked with avibactam
Descriptor:	(2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
Authors:	Vlahakis, N.W, Rodriguez, J.A, Jacobs, L.M.C, Chen, Y.
Deposit date:	2025-05-22
Release date:	2025-06-18
Method:	ELECTRON CRYSTALLOGRAPHY (2.3 Å)
Cite:	Combining MicroED and native mass spectrometry for structural discovert of enzyme-small molecule complexes To Be Published

9NB4

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

9OS1

MicroED structure of lysozyme co-crystallized with N,N',N"-triacetylchitotriose
Descriptor:	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lysozyme C, SODIUM ION
Authors:	Vlahakis, N.W, Flowers, C.W, Rodriguez, J.A.
Deposit date:	2025-05-23
Release date:	2025-06-18
Method:	ELECTRON CRYSTALLOGRAPHY (2.3 Å)
Cite:	Combining MicroED and native mass spectrometry for structural discovery of enzyme-small molecule complexes To Be Published

9NCA

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

9ORG

MicroED structure of apo-form CTX-M-14 beta-lactamase
Descriptor:	Beta-lactamase
Authors:	Vlahakis, N, Rodriguez, J.A, Jacobs, L.M.C, Chen, Y.
Deposit date:	2025-05-22
Release date:	2025-06-18
Method:	ELECTRON CRYSTALLOGRAPHY (2.5 Å)
Cite:	Combining MicroED and native mass spectrometry for structural discovery of enzyme-biosynthetic inhibitor complexes To Be Published

9ORX

X-ray diffraction structure of lysozyme complexed with N,N',N"-triacetylchitotriose from a cocktail-soaked crystal
Descriptor:	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C
Authors:	Flowers, C.W, Vlahakis, N.W, Rodriguez, J.A.
Deposit date:	2025-05-23
Release date:	2025-06-18
Method:	X-RAY DIFFRACTION (1.5 Å)
Cite:	Combining MicroED and native mass spectrometry for structural discovery of enzyme-small molecule complexes To Be Published

9OR7

X-ray diffraction structure of CTX-M-14 beta-lactamase soaked with avibactam
Descriptor:	(2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, PHOSPHATE ION
Authors:	Vlahakis, N.W, Rodriguez, J.A, Jacobs, L.M.C, Chen, Y.
Deposit date:	2025-05-21
Release date:	2025-06-18
Method:	X-RAY DIFFRACTION (1.5 Å)
Cite:	Combining MicroED and native mass spectrometry for structural discovery of enzyme-small molecule complexes To Be Published

9NBQ

MicroED structure of papain co-crystallized 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, Rodriguez, J.A.
Deposit date:	2025-02-14
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

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

9ORZ

MicroED structure of apo-form lysozyme
Descriptor:	Lysozyme C, SODIUM ION
Authors:	Vlahakis, N.W, Flowers, C.W, Rodriguez, J.A.
Deposit date:	2025-05-23
Release date:	2025-06-18
Method:	ELECTRON CRYSTALLOGRAPHY (2.3 Å)
Cite:	Combining MicroED and native mass spectrometry for structural discovert of enzyme-small molecule complexes To Be Published

9NBN

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

9NAE

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

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