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7SW4
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BU of 7sw4 by Molmil
MicroED structure of proteinase K from a 540 nm thick lamella measured at 200 kV
Descriptor: Proteinase K
Authors:Martynowycz, M.W, Clabbers, M.T.B, Unge, J, Hattne, J, Gonen, T.
Deposit date:2021-11-19
Release date:2022-09-07
Last modified:2023-10-18
Method:ELECTRON CRYSTALLOGRAPHY (2.4 Å)
Cite:Benchmarking the ideal sample thickness in cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
7SW9
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BU of 7sw9 by Molmil
MicroED structure of proteinase K from a 170 nm thick lamella measured at 300 kV
Descriptor: Proteinase K
Authors:Martynowycz, M.W, Clabbers, M.T.B, Unge, J, Hattne, J, Gonen, T.
Deposit date:2021-11-19
Release date:2022-09-07
Last modified:2023-10-18
Method:ELECTRON CRYSTALLOGRAPHY (2.1 Å)
Cite:Benchmarking the ideal sample thickness in cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
7SVY
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BU of 7svy by Molmil
MicroED structure of proteinase K from a 130 nm thick lamella measured at 120 kV
Descriptor: Proteinase K
Authors:Martynowycz, M.W, Clabbers, M.T.B, Unge, J, Hattne, J, Gonen, T.
Deposit date:2021-11-19
Release date:2022-09-07
Last modified:2023-10-18
Method:ELECTRON CRYSTALLOGRAPHY (2.3 Å)
Cite:Benchmarking the ideal sample thickness in cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
7SWB
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BU of 7swb by Molmil
MicroED structure of proteinase K from a 360 nm thick lamella measured at 300 kV
Descriptor: Proteinase K
Authors:Martynowycz, M.W, Clabbers, M.T.B, Unge, J, Hattne, J, Gonen, T.
Deposit date:2021-11-19
Release date:2022-09-07
Last modified:2023-10-18
Method:ELECTRON CRYSTALLOGRAPHY (2.05 Å)
Cite:Benchmarking the ideal sample thickness in cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
7SW2
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BU of 7sw2 by Molmil
MicroED structure of proteinase K from a 130 nm thick lamella measured at 200 kV
Descriptor: Proteinase K
Authors:Martynowycz, M.W, Clabbers, M.T.B, Unge, J, Hattne, J, Gonen, T.
Deposit date:2021-11-19
Release date:2022-09-07
Last modified:2023-10-18
Method:ELECTRON CRYSTALLOGRAPHY (1.95 Å)
Cite:Benchmarking the ideal sample thickness in cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
7SW8
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BU of 7sw8 by Molmil
MicroED structure of proteinase K from a 150 nm thick lamella measured at 300 kV
Descriptor: Proteinase K
Authors:Martynowycz, M.W, Clabbers, M.T.B, Unge, J, Hattne, J, Gonen, T.
Deposit date:2021-11-19
Release date:2022-09-07
Last modified:2023-10-18
Method:ELECTRON CRYSTALLOGRAPHY (1.9 Å)
Cite:Benchmarking the ideal sample thickness in cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
7T5S
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BU of 7t5s by Molmil
P. aeruginosa LpxA in complex with ligand H16
Descriptor: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, N~2~-(cyclohexylacetyl)-N-1H-tetrazol-5-yl-L-alaninamide
Authors:Sacco, M, Chen, Y.
Deposit date:2021-12-13
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis.
Acs Infect Dis., 8, 2022
7T5R
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BU of 7t5r by Molmil
P. aeruginosa LpxA in complex with ligand H7
Descriptor: 3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]-1H-indole-5-carboxamide, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, GLYCEROL
Authors:Sacco, M, Chen, Y.
Deposit date:2021-12-13
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis.
Acs Infect Dis., 8, 2022
7T3F
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BU of 7t3f by Molmil
Development of BRD4 inhibitors as arsenicals antidotes
Descriptor: 4-fluoro-3-methyl-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-1-sulfonamide, Bromodomain-containing protein 4, GLYCEROL
Authors:Wu, M, Yatchang, M, Mathew, B, Zhai, L, Ruiz, P, Bostwick, R, Augelli-Szafran, C.E, Suto, M.J.
Deposit date:2021-12-07
Release date:2022-08-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Development of BRD4 inhibitors as anti-inflammatory agents and antidotes for arsenicals.
Bioorg.Med.Chem.Lett., 64, 2022
7T5Z
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BU of 7t5z by Molmil
P. aeruginosa LpxA in complex with ligand L8
Descriptor: (4S)-N-(1H-tetrazol-5-yl)-2-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DI(HYDROXYETHYL)ETHER
Authors:Sacco, M, Chen, Y.
Deposit date:2021-12-13
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis.
Acs Infect Dis., 8, 2022
7T5X
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BU of 7t5x by Molmil
P. aeruginosa LpxA in complex with ligand L6
Descriptor: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, Nalpha-(tert-butoxycarbonyl)-N-1H-tetrazol-5-yl-D-tryptophanamide
Authors:Sacco, M, Chen, Y.
Deposit date:2021-12-13
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis.
Acs Infect Dis., 8, 2022
7SW5
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BU of 7sw5 by Molmil
MicroED structure of proteinase K from a 460 nm thick lamella measured at 200 kV
Descriptor: Proteinase K
Authors:Martynowycz, M.W, Clabbers, M.T.B, Unge, J, Hattne, J, Gonen, T.
Deposit date:2021-11-19
Release date:2022-09-07
Last modified:2023-10-18
Method:ELECTRON CRYSTALLOGRAPHY (1.95 Å)
Cite:Benchmarking the ideal sample thickness in cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
8J6Y
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BU of 8j6y by Molmil
Crystal structure of class A beta-lactamase PSE-4 WT- Apo state
Descriptor: Beta-lactamase PSE-4, SULFATE ION
Authors:Sarkar, M, Bhattacharya, S, Hazra, S.
Deposit date:2023-04-26
Release date:2024-05-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of class A beta-lactamase PSE-4 WT- Apo state
To be published
7SVZ
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BU of 7svz by Molmil
MicroED structure of proteinase K from a 200 nm thick lamella measured at 120 kV
Descriptor: Proteinase K
Authors:Martynowycz, M.W, Clabbers, M.T.B, Unge, J, Hattne, J, Gonen, T.
Deposit date:2021-11-19
Release date:2022-09-07
Last modified:2023-10-18
Method:ELECTRON CRYSTALLOGRAPHY (2 Å)
Cite:Benchmarking the ideal sample thickness in cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
7SW0
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BU of 7sw0 by Molmil
MicroED structure of proteinase K from a 325 nm thick lamella measured at 120 kV
Descriptor: Proteinase K
Authors:Martynowycz, M.W, Clabbers, M.T.B, Unge, J, Hattne, J, Gonen, T.
Deposit date:2021-11-19
Release date:2022-09-07
Last modified:2023-10-18
Method:ELECTRON CRYSTALLOGRAPHY (2.7 Å)
Cite:Benchmarking the ideal sample thickness in cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
7SW1
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BU of 7sw1 by Molmil
MicroED structure of proteinase K from a 115 nm thick lamella measured at 200 kV
Descriptor: Proteinase K
Authors:Martynowycz, M.W, Clabbers, M.T.B, Unge, J, Hattne, J, Gonen, T.
Deposit date:2021-11-19
Release date:2022-09-07
Last modified:2023-10-18
Method:ELECTRON CRYSTALLOGRAPHY (1.85 Å)
Cite:Benchmarking the ideal sample thickness in cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
7SW3
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BU of 7sw3 by Molmil
MicroED structure of proteinase K from a 95 nm thick lamella measured at 200 kV
Descriptor: Proteinase K
Authors:Martynowycz, M.W, Clabbers, M.T.B, Unge, J, Hattne, J, Gonen, T.
Deposit date:2021-11-19
Release date:2022-09-07
Last modified:2023-10-18
Method:ELECTRON CRYSTALLOGRAPHY (2.35 Å)
Cite:Benchmarking the ideal sample thickness in cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
7SW6
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BU of 7sw6 by Molmil
MicroED structure of proteinase K from a 260 nm thick lamella measured at 200 kV
Descriptor: Proteinase K
Authors:Martynowycz, M.W, Clabbers, M.T.B, Unge, J, Hattne, J, Gonen, T.
Deposit date:2021-11-19
Release date:2022-09-07
Last modified:2023-10-18
Method:ELECTRON CRYSTALLOGRAPHY (1.95 Å)
Cite:Benchmarking the ideal sample thickness in cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
7SW7
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BU of 7sw7 by Molmil
MicroED structure of proteinase K from a 530 nm thick lamella measured at 200 kV
Descriptor: Proteinase K
Authors:Martynowycz, M.W, Clabbers, M.T.B, Unge, J, Hattne, J, Gonen, T.
Deposit date:2021-11-19
Release date:2022-09-07
Last modified:2023-10-18
Method:ELECTRON CRYSTALLOGRAPHY (2.3 Å)
Cite:Benchmarking the ideal sample thickness in cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
7SWC
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BU of 7swc by Molmil
MicroED structure of proteinase K from a 550 nm thick lamella measured at 300 kV
Descriptor: Proteinase K
Authors:Martynowycz, M.W, Clabbers, M.T.B, Unge, J, Hattne, J, Gonen, T.
Deposit date:2021-11-19
Release date:2022-09-07
Last modified:2023-10-18
Method:ELECTRON CRYSTALLOGRAPHY (2.9 Å)
Cite:Benchmarking the ideal sample thickness in cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
7SWA
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BU of 7swa by Molmil
MicroED structure of proteinase K from a 320 nm thick lamella measured at 300 kV
Descriptor: Proteinase K
Authors:Martynowycz, M.W, Clabbers, M.T.B, Unge, J, Hattne, J, Gonen, T.
Deposit date:2021-11-19
Release date:2022-09-07
Last modified:2023-10-18
Method:ELECTRON CRYSTALLOGRAPHY (2.1 Å)
Cite:Benchmarking the ideal sample thickness in cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
4MPD
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BU of 4mpd by Molmil
Staphyloferrin B precursor biosynthetic enzyme SbnB bound a-ketoglutarate and NAD+
Descriptor: 2-OXOGLUTARIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), Putative ornithine cyclodeaminase
Authors:Kobylarz, M.J, Murphy, M.E.P.
Deposit date:2013-09-12
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Synthesis of L-2,3-diaminopropionic Acid, a siderophore and antibiotic precursor.
Chem.Biol., 21, 2014
7T60
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BU of 7t60 by Molmil
P. aeruginosa LpxA in complex with ligand L13
Descriptor: (3S)-3-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(1H-tetrazol-5-yl)-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indole-3-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, ...
Authors:Sacco, M, Chen, Y.
Deposit date:2021-12-13
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis.
Acs Infect Dis., 8, 2022
7T61
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BU of 7t61 by Molmil
P. aeruginosa LpxA in complex with ligand L15
Descriptor: (3S)-3-({[(Z)-phenylmethylidene]carbamoyl}amino)-N-(1H-tetrazol-5-yl)-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indole-3-carboxamide, ACETATE ION, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, ...
Authors:Sacco, M, Chen, Y.
Deposit date:2021-12-13
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis.
Acs Infect Dis., 8, 2022
7SVM
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BU of 7svm by Molmil
DPP8 IN COMPLEX WITH LIGAND ICeD-2
Descriptor: (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one, Dipeptidyl peptidase 8, trimethylamine oxide
Authors:Lammens, A, Hollenstein, K, Klein, D.J.
Deposit date:2021-11-19
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells.
Acs Chem.Biol., 17, 2022

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