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5K70
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BU of 5k70 by Molmil
Sidekick-2 immunoglobulin domains 1-4 H18R/N22S mutant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, ...
Authors:Goodman, K.M, Mannepalli, S, Honig, B, Shapiro, L.
Deposit date:2016-05-25
Release date:2016-09-28
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular basis of sidekick-mediated cell-cell adhesion and specificity.
Elife, 5, 2016
8Q81
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BU of 8q81 by Molmil
Photorhabdus laumondii lectin PLL3 in complex with alpha-methyl-fucoside
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Photorhabdus luminescens subsp. laumondii TTO1 complete genome segment 3/17, ...
Authors:Melicher, F, Houser, J, Paulenova, E, Wimmerova, M.
Deposit date:2023-08-17
Release date:2025-03-05
Last modified:2025-07-02
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The insight into the biology of five homologous lectins produced by the entomopathogenic bacterium and nematode symbiont Photorhabdus laumondii.
Glycobiology, 35, 2025
6VZ6
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BU of 6vz6 by Molmil
Methanococcoides burtonii cytochrome b5 domain protein (WP 011499504.1)
Descriptor: Cytochrome b5-domain protein, PROTOPORPHYRIN IX CONTAINING FE
Authors:Teakel, S.L, Forwood, J.K, Aragao, D, Cahill, M.A, Marama, M.
Deposit date:2020-02-27
Release date:2020-03-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Methanococcoides burtonii cytochrome b5 domain protein (WP 011499504.1)
To Be Published
5NN1
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BU of 5nn1 by Molmil
The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1)
Descriptor: Serine/threonine-protein kinase PLK1
Authors:Kunciw, D.L, Rossmann, M, De Fusco, C, Spring, D.R, Hyvonen, M.
Deposit date:2017-04-07
Release date:2018-02-21
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.785 Å)
Cite:Developing peptidic inhibitors of the cryptic pocket of the Polo-Like Kinase 1 Polo-Box Domain.
To Be Published
5NJB
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BU of 5njb by Molmil
E. coli Microcin-processing metalloprotease TldD/E with actinonin bound
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACTINONIN, ...
Authors:Ghilarov, D, Serebryakova, M, Stevenson, C.E.M, Hearnshaw, S.J, Volkov, D, Maxwell, A, Lawson, D.M, Severinov, K.
Deposit date:2017-03-28
Release date:2017-10-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Origins of Specificity in the Microcin-Processing Protease TldD/E.
Structure, 25, 2017
8H87
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BU of 8h87 by Molmil
Cryo-EM structure of the potassium-selective channelrhodopsin HcKCR2 in lipid nanodisc
Descriptor: (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, HcKCR2, PALMITIC ACID, ...
Authors:Tajima, S, Kim, Y, Yamashita, K, Fukuda, M, Deisseroth, K, Kato, H.E.
Deposit date:2022-10-21
Release date:2023-09-06
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.53 Å)
Cite:Structural basis for ion selectivity in potassium-selective channelrhodopsins.
Cell, 186, 2023
7SV4
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BU of 7sv4 by Molmil
Crystal structure of SpaA-SLH in complex with 4,6-Pyr-beta-D-ManNAc-(1->4)-beta-D-GlcNAc-(1->3)-4,6-Pyr-beta-D-ManNAcOMe
Descriptor: GLYCEROL, Surface (S-) layer glycoprotein, methyl 2-acetamido-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-2-acetamido-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranoside
Authors:Legg, M.S.G, Evans, S.V.
Deposit date:2021-11-18
Release date:2022-03-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:The S-layer homology domains of Paenibacillus alvei surface protein SpaA bind to cell wall polysaccharide through the terminal monosaccharide residue.
J.Biol.Chem., 298, 2022
9GCJ
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BU of 9gcj by Molmil
The crystal structure of beta-glucosidase from the thermophilic bacterium Caldicellulosiruptor saccharolyticus in complex with beta-D-glucose determined at 1.95 A resolution
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ...
Authors:Chrysina, E.D, Sotiropoulou, A.I.
Deposit date:2024-08-01
Release date:2024-10-16
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural studies of beta-glucosidase from the thermophilic bacterium Caldicellulosiruptor saccharolyticus.
Acta Crystallogr D Struct Biol, 80, 2024
6ZT6
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BU of 6zt6 by Molmil
X-ray structure of mutated arabinofuranosidase
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-L-arabinofuranosidase
Authors:Tandrup, T, Lo Leggio, L, Zhao, J, Bissaro, B, Barbe, S, Andre, I, Dumon, C, O'Donohue, M.J, Faure, R.
Deposit date:2020-07-17
Release date:2021-02-10
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Probing the determinants of the transglycosylation/hydrolysis partition in a retaining alpha-l-arabinofuranosidase.
N Biotechnol, 62, 2021
6ZG1
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BU of 6zg1 by Molmil
SARM1 SAM1-2 domains
Descriptor: 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Sporny, M, Guez-Haddad, J, Khazma, T, Yaron, A, Dessau, M, Mim, C, Isupov, M.N, Zalk, R, Hons, M, Opatowsky, Y.
Deposit date:2020-06-18
Release date:2020-11-11
Last modified:2025-04-09
Method:ELECTRON MICROSCOPY (3.77 Å)
Cite:Structural basis for SARM1 inhibition and activation under energetic stress.
Elife, 9, 2020
8EIG
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BU of 8eig by Molmil
The complex of phosphorylated human delta F508 cystic fibrosis transmembrane conductance regulator (CFTR) with elexacaftor (VX-445) and ATP/Mg
Descriptor: (6P)-N-(1,3-dimethyl-1H-pyrazole-4-sulfonyl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL, ...
Authors:Fiedorczuk, K, Chen, J.
Deposit date:2022-09-15
Release date:2022-10-19
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Molecular structures reveal synergistic rescue of Delta 508 CFTR by Trikafta modulators.
Science, 378, 2022
8EW3
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BU of 8ew3 by Molmil
Cryo EM structure of Vibrio cholerae NQR
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, Na(+)-translocating NADH-quinone reductase subunit A, ...
Authors:Fuller, J.R, Juarez, O.
Deposit date:2022-10-21
Release date:2022-11-16
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (2.65159 Å)
Cite:Novel cofactor binding motifs, electron transfer and ion pumping mechanisms of the respiratory complex NQR
To Be Published
5IT8
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BU of 5it8 by Molmil
High-resolution structure of the Escherichia coli ribosome
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1,4-DIAMINOBUTANE, ...
Authors:Cocozaki, A, Ferguson, A.
Deposit date:2016-03-16
Release date:2016-07-27
Last modified:2025-03-19
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Resistance mutations generate divergent antibiotic susceptibility profiles against translation inhibitors.
Proc.Natl.Acad.Sci.USA, 113, 2016
9R59
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BU of 9r59 by Molmil
Crystal structure of MAPKAPK2 with a covalent compound GCL334 targeting lysine
Descriptor: 5-[3-[bis(oxidanyl)-$l^{3}-sulfanyl]oxy-4-chloranyl-phenyl]-~{N}-(4-piperazin-1-ylphenyl)-~{N}-(pyridin-2-ylmethyl)furan-2-carboxamide, MAP kinase-activated protein kinase 2
Authors:Wang, G.Q, Hillebrand, L, Gehringer, M, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2025-05-08
Release date:2025-07-30
Last modified:2025-10-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:A twist in the tale: shifting from covalent targeting of a tyrosine in JAK3 to a lysine in MK2.
Rsc Med Chem, 16, 2025
7Z5J
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BU of 7z5j by Molmil
The molybdenum storage protein loaded with tungstate
Descriptor: 1,1,3,3,5,7,7,9,11,15,15-undecakis($l^{1}-oxidanyl)-2$l^{4},4$l^{3},6$l^{5},8,10,12,14,16,17,18,19$l^{3},20,21,22,23-pentadecaoxa-1$l^{6},3$l^{6},5$l^{6},7$l^{6},9$l^{6},11$l^{6},13$l^{6},15$l^{6}-octatungstapentadecacyclo[7.7.1.1^{1,13}.1^{3,5}.1^{3,15}.1^{5,7}.1^{5,11}.1^{7,11}.0^{2,13}.0^{2,15}.0^{4,13}.0^{6,9}.0^{6,11}.0^{6,13}.0^{9,19}]tricosane, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Ermler, U, Aziz, I, Kaltwasser, S, Kayastha, K, Vonck, J.
Deposit date:2022-03-09
Release date:2022-07-13
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (2.58 Å)
Cite:The molybdenum storage protein forms and deposits distinct polynuclear tungsten oxygen aggregates.
J.Inorg.Biochem., 234, 2022
7NC9
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BU of 7nc9 by Molmil
Glutathione-S-transferase GliG mutant H26N
Descriptor: 1,2-ETHANEDIOL, Glutathione S-transferase GliG
Authors:Groll, M, Huber, E.M.
Deposit date:2021-01-28
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
9FOJ
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BU of 9foj by Molmil
LGTV TP21. Langat virus, strain TP21
Descriptor: 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, ...
Authors:Bisikalo, K, Rosendal, E.
Deposit date:2024-06-12
Release date:2024-11-06
Last modified:2025-10-08
Method:ELECTRON MICROSCOPY (3.82 Å)
Cite:Influence of the pre-membrane and envelope proteins on structure, pathogenicity, and tropism of tick-borne encephalitis virus.
J.Virol., 99, 2025
9FK0
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BU of 9fk0 by Molmil
LGTV with TBEV prME
Descriptor: 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, ...
Authors:Bisikalo, K, Rosendal, E.
Deposit date:2024-06-01
Release date:2024-11-06
Last modified:2025-10-08
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Influence of the pre-membrane and envelope proteins on structure, pathogenicity, and tropism of tick-borne encephalitis virus.
J.Virol., 99, 2025
7NCL
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BU of 7ncl by Molmil
Glutathione-S-transferase GliG mutant E82Q
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Glutathione S-transferase GliG
Authors:Groll, M, Huber, E.M.
Deposit date:2021-01-29
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
7NCD
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BU of 7ncd by Molmil
Glutathione-S-transferase GliG mutant N27D
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Glutathione S-transferase GliG, ...
Authors:Groll, M, Huber, E.M.
Deposit date:2021-01-28
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
9CFT
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BU of 9cft by Molmil
Adeno-associated virus serotype 6 basic regions in complex with importin alpha 2
Descriptor: Capsid protein VP1, GLYCEROL, Importin subunit alpha-1
Authors:Hoad, M, Forwood, J.K.
Deposit date:2024-06-27
Release date:2024-12-11
Last modified:2025-02-12
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for nuclear import of adeno-associated virus serotype 6 capsid protein.
J.Virol., 99, 2025
8H86
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BU of 8h86 by Molmil
Cryo-EM structure of the potassium-selective channelrhodopsin HcKCR1 in lipid nanodisc
Descriptor: (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, HcKCR1, PALMITIC ACID, ...
Authors:Tajima, S, Kim, Y, Yamashita, K, Fukuda, M, Deisseroth, K, Kato, H.E.
Deposit date:2022-10-21
Release date:2023-09-06
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.56 Å)
Cite:Structural basis for ion selectivity in potassium-selective channelrhodopsins.
Cell, 186, 2023
7NCO
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BU of 7nco by Molmil
Glutathione-S-transferase GliG mutant K127R
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Glutathione S-transferase GliG
Authors:Groll, M, Huber, E.M.
Deposit date:2021-01-29
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
8C23
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BU of 8c23 by Molmil
Structure of E. coli Class 2 L-asparaginase EcAIII, mutant M200T (monoclinic form M200T#m)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Sciuk, A, Ruszkowski, M, Jaskolski, M, Loch, J.I.
Deposit date:2022-12-21
Release date:2023-05-03
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.842 Å)
Cite:The effects of nature-inspired amino acid substitutions on structural and biochemical properties of the E. coli L-asparaginase EcAIII.
Protein Sci., 32, 2023
7NCP
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BU of 7ncp by Molmil
Glutathione-S-transferase GliG mutant K127A
Descriptor: 1,2-ETHANEDIOL, Glutathione S-transferase GliG, SODIUM ION
Authors:Groll, M, Huber, E.M.
Deposit date:2021-01-29
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021

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