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7BAR
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BU of 7bar by Molmil
Crystal structure of the cAMP-dependent protein kinase A with a chiral ligand (S- and E-configuration, soaked)
Descriptor: (S,E)-3-(2-(3-bromo-4-hydroxybenzylidene)hydrazineyl)-2-(3-chlorophenyl)-3-oxopropan-1-aminium, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Oebbeke, M, Heine, A, Klebe, G.
Deposit date:2020-12-16
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Crystal structure of the cAMP-dependent protein kinase A with a chiral ligand (S- and E-configuration, soaked)
To Be Published
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
6J43
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BU of 6j43 by Molmil
Proteinase K determined by PAL-XFEL
Descriptor: CALCIUM ION, Proteinase K
Authors:Lee, S.J, Park, J.
Deposit date:2019-01-07
Release date:2020-01-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Application of a high-throughput microcrystal delivery system to serial femtosecond crystallography.
J.Appl.Crystallogr., 53, 2020
8F8R
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BU of 8f8r by Molmil
Cryo-EM structure of the free barbed end of F-actin
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Carman, P.J, Barrie, K.R, Dominguez, R.
Deposit date:2022-11-22
Release date:2023-06-07
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structures of the free and capped ends of the actin filament.
Science, 380, 2023
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
4NGY
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BU of 4ngy by Molmil
Dialyzed HEW lysozyme batch crystallized in 0.75 M YbCl3 and collected at 100 K
Descriptor: CHLORIDE ION, Lysozyme C, YTTERBIUM (III) ION
Authors:Benas, P, Legrand, L, Ries-Kautt, M.
Deposit date:2013-11-03
Release date:2014-05-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Weak protein-cationic co-ion interactions addressed by X-ray crystallography and mass spectrometry.
Acta Crystallogr.,Sect.D, 70, 2014
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
8F8P
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BU of 8f8p by Molmil
Cryo-EM structure of F-actin in the ADP state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Carman, P.J, Barrie, K.R, Dominguez, R.
Deposit date:2022-11-22
Release date:2023-06-07
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (2.26 Å)
Cite:Structures of the free and capped ends of the actin filament.
Science, 380, 2023
7BB0
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BU of 7bb0 by Molmil
Crystal structure of the cAMP-dependent protein kinase A cocrystallized with NAT22-366511 and PKI (5-24)
Descriptor: (R)-3,3-dimethyl-5-oxo-5-(6-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)pentanoic acid, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Oebbeke, M, Mueller, J, Glinca, S, Heine, A, Klebe, G.
Deposit date:2020-12-16
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of the cAMP-dependent protein kinase A cocrystallized with NAT22-366511 and PKI (5-24)
To Be Published
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
8F8S
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BU of 8f8s by Molmil
Cryo-EM structure of the free pointed end of F-actin
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Carman, P.J, Barrie, K.R, Dominguez, R.
Deposit date:2022-11-22
Release date:2023-06-07
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Structures of the free and capped ends of the actin filament.
Science, 380, 2023
6JFV
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BU of 6jfv by Molmil
The crystal structure of 2B-2B complex from keratins 5 and 14 (C367A mutant of K14)
Descriptor: Keratin, type I cytoskeletal 14, type II cytoskeletal 5
Authors:Kim, M.S, Lee, C.H, Coulombe, P.A, Leahy, D.J.
Deposit date:2019-02-12
Release date:2020-01-22
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-Function Analyses of a Keratin Heterotypic Complex Identify Specific Keratin Regions Involved in Intermediate Filament Assembly.
Structure, 28, 2020
4NJ3
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BU of 4nj3 by Molmil
Modulating the interaction between CDK2 and Cyclin A with a Quinoline-based inhibitor
Descriptor: 6-(3-chlorophenyl)-2-{[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid, Cyclin-dependent kinase 2
Authors:Fischmann, T.O, Hruza, A.W.
Deposit date:2013-11-08
Release date:2013-11-27
Last modified:2014-01-08
Method:X-RAY DIFFRACTION (1.848 Å)
Cite:Modulating the interaction between CDK2 and cyclin A with a quinoline-based inhibitor.
Bioorg.Med.Chem.Lett., 24, 2014
7T1U
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BU of 7t1u by Molmil
Crystal structure of a superbinder Src SH2 domain (sSrcF) in complex with a high affinity phosphopeptide
Descriptor: Proto-oncogene tyrosine-protein kinase Src, Synthetic phosphopeptide, ZINC ION
Authors:Martyn, G.D, Singer, A.U, Manczyk, N, Veggiani, G, Kurinov, I, Sicheri, F, Sidhu, S.S.
Deposit date:2021-12-02
Release date:2022-08-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Engineered SH2 Domains for Targeted Phosphoproteomics.
Acs Chem.Biol., 17, 2022
4NU1
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BU of 4nu1 by Molmil
Crystal structure of a transition state mimic of the GSK-3/Axin complex bound to phosphorylated N-terminal auto-inhibitory pS9 peptide
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Axin-1, ...
Authors:Chu, M.L.-H, Stamos, J.L, Enos, M.D, Shah, N, Weis, W.I.
Deposit date:2013-12-03
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6.
Elife, 3, 2014
5UHM
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BU of 5uhm by Molmil
Apo-Structure of Mature Growth Differentiation Factor 11
Descriptor: Growth/differentiation factor 11
Authors:Goebel, E, Thompson, T.
Deposit date:2017-01-11
Release date:2017-03-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for potency differences between GDF8 and GDF11.
BMC Biol., 15, 2017
6D0D
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BU of 6d0d by Molmil
X-ray crystal structure of wild type HIV-1 protease in complex with GRL-087-13
Descriptor: (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate, Protease
Authors:Yedidi, R.S, Hayashi, H, Ghosh, A.K, Mitsuya, H.
Deposit date:2018-04-10
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Novel Central Nervous System (CNS)-Targeting Protease Inhibitors for Drug-Resistant HIV Infection and HIV-Associated CNS Complications.
Antimicrob.Agents Chemother., 63, 2019
4NLJ
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BU of 4nlj by Molmil
Crystal structure of sheep beta-lactoglobulin (space group P1)
Descriptor: Beta-lactoglobulin-1/B, SULFATE ION
Authors:Loch, J.I, Molenda, M, Kopec, M, Swiatek, S, Lewinski, K.
Deposit date:2013-11-14
Release date:2014-03-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure of two crystal forms of sheep beta-lactoglobulin with EF-loop in closed conformation
Biopolymers, 101, 2014
5YIE
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BU of 5yie by Molmil
Crystal Structure of KNI-10742 bound Plasmepsin II (PMII) from Plasmodium falciparum
Descriptor: (4R)-3-[(2S,3S)-3-[2-[4-[2-azanylethyl(ethyl)amino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Plasmepsin II, ...
Authors:Mishra, V, Rathore, I, Bhaumik, P.
Deposit date:2017-10-04
Release date:2018-07-11
Last modified:2019-05-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Deciphering the mechanism of potent peptidomimetic inhibitors targeting plasmepsins - biochemical and structural insights.
Febs J., 285, 2018
6CJ7
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BU of 6cj7 by Molmil
Crystal structure of Manduca sexta Serine protease inhibitor (Serpin)-12
Descriptor: Serpin-12
Authors:Gulati, M, Hu, Y, Peng, S, Pathak, P.K, Wang, Y, Deng, J, Jiang, H.
Deposit date:2018-02-26
Release date:2018-07-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Manduca sexta serpin-12 controls the prophenoloxidase activation system in larval hemolymph.
Insect Biochem. Mol. Biol., 99, 2018
5YTU
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BU of 5ytu by Molmil
Structure of human SOD1 complexed with isoproteranol in C2221 space group
Descriptor: Dihydrogen tetrasulfide, GLYCEROL, ISOPRENALINE, ...
Authors:Manjula, R, Padmanabhan, B.
Deposit date:2017-11-20
Release date:2018-11-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Assessment of ligand binding at a site relevant to SOD1 oxidation and aggregation
FEBS Lett., 592, 2018
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
6CJE
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BU of 6cje by Molmil
Crystal Structure of Mnk2-D228G in complex with Inhibitor
Descriptor: 4-[(9H-purin-6-yl)amino]benzamide, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION
Authors:Han, Q.
Deposit date:2018-02-26
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.36 Å)
Cite:Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition.
J. Med. Chem., 61, 2018
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
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

223532

數據於2024-08-07公開中

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