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6NF3
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BU of 6nf3 by Molmil
Structure of the Monoclinic-3 (Monocln-3) Crystal Form of Human Apolipoprotein C1
Descriptor: Apolipoprotein C-I
Authors:McPherson, A, Larson, S.B.
Deposit date:2018-12-18
Release date:2018-12-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:The structure of human apolipoprotein C-1 in four different crystal forms.
J. Lipid Res., 60, 2019
6DWY
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BU of 6dwy by Molmil
Hermes transposase deletion dimer complex with (C/G) DNA and Ca2+
Descriptor: CALCIUM ION, DNA (26-MER), DNA (5'-D(*AP*GP*AP*GP*AP*AP*CP*AP*AP*CP*AP*AP*CP*AP*AP*G)-3'), ...
Authors:Dyda, F, Hickman, A.B.
Deposit date:2018-06-28
Release date:2018-09-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural insights into the mechanism of double strand break formation by Hermes, a hAT family eukaryotic DNA transposase.
Nucleic Acids Res., 46, 2018
6WXD
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BU of 6wxd by Molmil
SARS-CoV-2 Nsp9 RNA-replicase
Descriptor: Non-structural protein 9, SULFATE ION
Authors:Littler, D.R, Gully, B.S, Riboldi-Tunnicliffe, A, Rossjohn, J.
Deposit date:2020-05-10
Release date:2020-05-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the SARS-CoV-2 Non-structural Protein 9, Nsp9.
Iscience, 23, 2020
6NI3
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BU of 6ni3 by Molmil
B2V2R-Gs protein subcomplex of a GPCR-G protein-beta-arrestin mega-complex
Descriptor: 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, Endolysin,Beta-2 adrenergic receptor chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Nguyen, A.H, Thomsen, A.R.B, Cahill, T.J, des Georges, A, Lefkowitz, R.J.
Deposit date:2018-12-26
Release date:2019-11-20
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structure of an endosomal signaling GPCR-G protein-beta-arrestin megacomplex.
Nat.Struct.Mol.Biol., 26, 2019
8KA5
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BU of 8ka5 by Molmil
Arabidopsis AP endonuclease ARP complex with 20bp THF-containing DNA
Descriptor: 1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATE, DNA (43-MER), DNA-(apurinic or apyrimidinic site) endonuclease, ...
Authors:Guo, W.T, Wu, B.X.
Deposit date:2023-08-02
Release date:2024-02-21
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into the catalytic mechanism of the AP endonuclease AtARP.
Structure, 32, 2024
5MJ4
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BU of 5mj4 by Molmil
INTERLEUKIN-23 COMPLEX WITH AN ANTAGONISTIC ALPHABODY, CRYSTAL FORM 2
Descriptor: ALPHABODY MA12, Interleukin-12 subunit beta, Interleukin-23 subunit alpha, ...
Authors:Desmet, J, Verstraete, K, Bloch, Y, Lorent, E, Wen, Y, Devreese, B, Vandenbroucke, K, Loverix, S, Hettmann, T, Deroo, S, Somers, K, Henderikx, P, Lasters, I, Savvides, S.
Deposit date:2016-11-29
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:STRUCTURAL BASIS OF IL-23 ANTAGONISM BY AN ALPHABODY PROTEIN
Nature Communications, 5, 2014
6X3N
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BU of 6x3n by Molmil
Co-structure of BTK kinase domain with L-005085737 inhibitor
Descriptor: 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-{8-amino-3-[(6R,8aS)-3-oxohexahydro-3H-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK
Authors:Fischmann, T.O.
Deposit date:2020-05-21
Release date:2020-07-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes.
Bioorg.Med.Chem.Lett., 30, 2020
6NMK
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BU of 6nmk by Molmil
Binary complex structure of the T130K mutant of ANT-4'' with Neomycin
Descriptor: CALCIUM ION, Kanamycin nucleotidyltransferase, MAGNESIUM ION, ...
Authors:Cuneo, M.J, Selvaraj, B.
Deposit date:2019-01-11
Release date:2020-01-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:'Catch and Release": a Variation of the Archetypal Nucleotidyl Transfer Reaction
Acs Catalysis, 2020
7P2I
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BU of 7p2i by Molmil
Dimethylated fusion protein of RSL and nucleoporin peptide (Nup) in complex with cucurbit[7]uril, F432 cage assembly
Descriptor: Fucose-binding lectin protein, cucurbit[7]uril, methyl alpha-L-fucopyranoside
Authors:Guagnini, F, Ramberg, K, Crowley, P.B.
Deposit date:2021-07-06
Release date:2021-09-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.489 Å)
Cite:Segregated Protein-Cucurbit[7]uril Crystalline Architectures via Modulatory Peptide Tectons.
Chemistry, 27, 2021
5KET
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BU of 5ket by Molmil
Structure of the aldo-keto reductase from Coptotermes gestroi
Descriptor: Aldo-keto reductase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Liberato, M.L, Campos, B.M, Tramontina, R, Squina, F.M.
Deposit date:2016-06-10
Release date:2017-01-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:The Coptotermes gestroi aldo-keto reductase: a multipurpose enzyme for biorefinery applications.
Biotechnol Biofuels, 10, 2017
7P3S
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BU of 7p3s by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 12
Descriptor: GLYCEROL, Histone deacetylase, POTASSIUM ION, ...
Authors:Shaik, T.B, Romier, C.
Deposit date:2021-07-08
Release date:2021-09-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.546 Å)
Cite:Synthesis, structure-activity relationships, cocrystallization and cellular characterization of novel smHDAC8 inhibitors for the treatment of schistosomiasis.
Eur.J.Med.Chem., 225, 2021
8NSE
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BU of 8nse by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, NNA COMPLEX
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, CACODYLIC ACID, GLYCEROL, ...
Authors:Raman, C.S, Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L.
Deposit date:1999-01-14
Release date:2001-11-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of nitric oxide synthase bound to nitro indazole reveals a novel inactivation mechanism.
Biochemistry, 40, 2001
6TZB
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BU of 6tzb by Molmil
Crystal structure of the A/Hong Kong/1/1968 (H3N2) influenza virus hemagglutinin in complex with 6'-SLNLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
Authors:Wu, N.C, Wilson, I.A.
Deposit date:2019-08-12
Release date:2019-10-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.243 Å)
Cite:Major antigenic site B of human influenza H3N2 viruses has an evolving local fitness landscape.
Nat Commun, 11, 2020
8Q5Y
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BU of 8q5y by Molmil
cryoEM structure of SARS-CoV2 Spike trimer in complex with Fab23
Descriptor: Monoclonal antibody Mab 23 (Heavy Chain), Monoclonal antibody Mab 23 (Light chain), Spike glycoprotein
Authors:Hallberg, M, Das, H.
Deposit date:2023-08-10
Release date:2024-07-17
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Multi-compartmental diversification of neutralizing antibody lineages dissected in SARS-CoV-2 spike-immunized macaques.
Nat Commun, 15, 2024
6DYU
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BU of 6dyu by Molmil
Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-((prop-2-yn-1-ylthio)methyl)pyrrolidin-3-ol
Descriptor: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(prop-2-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol, 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ...
Authors:Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L.
Deposit date:2018-07-02
Release date:2019-03-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Selective Inhibitors of Helicobacter pylori Methylthioadenosine Nucleosidase and Human Methylthioadenosine Phosphorylase.
J. Med. Chem., 62, 2019
7LZM
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BU of 7lzm by Molmil
COMPARISON OF THE CRYSTAL STRUCTURE OF BACTERIOPHAGE T4 LYSOZYME AT LOW, MEDIUM, AND HIGH IONIC STRENGTHS
Descriptor: CHLORIDE ION, T4 LYSOZYME
Authors:Bell, J.A, Wilson, K, Zhang, X.-J, Faber, H.R, Nicholson, H, Matthews, B.W.
Deposit date:1991-01-25
Release date:1992-07-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Comparison of the crystal structure of bacteriophage T4 lysozyme at low, medium, and high ionic strengths.
Proteins, 10, 1991
6DYW
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BU of 6dyw by Molmil
Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-(((3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl)thio)methyl)pyrrolidin-3-ol
Descriptor: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol, 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ...
Authors:Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L.
Deposit date:2018-07-02
Release date:2019-03-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Selective Inhibitors of Helicobacter pylori Methylthioadenosine Nucleosidase and Human Methylthioadenosine Phosphorylase.
J. Med. Chem., 62, 2019
6NL5
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BU of 6nl5 by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with 2'-deoxycytidine triphosphate
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, ATP-dependent dethiobiotin synthetase BioD, MAGNESIUM ION
Authors:Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B.
Deposit date:2019-01-08
Release date:2020-01-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.314 Å)
Cite:Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with 2'-deoxycytidine triphosphate
To Be Published
5JR2
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BU of 5jr2 by Molmil
Crystal structure of the EphA4 LBD in complex with APYd3 peptide inhibitor
Descriptor: APYd3 peptide, Ephrin type-A receptor 4, GLYCEROL, ...
Authors:Lechtenberg, B.C, Olson, E.J, Pasquale, E.B, Dawson, P.E, Riedl, S.J.
Deposit date:2016-05-05
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Modifications of a Nanomolar Cyclic Peptide Antagonist for the EphA4 Receptor To Achieve High Plasma Stability.
Acs Med.Chem.Lett., 7, 2016
6WJJ
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BU of 6wjj by Molmil
Anthrax octamer prechannel bound to full-length lethal factor
Descriptor: CALCIUM ION, Lethal factor, Protective antigen, ...
Authors:Zhou, K, Hardenbrook, N.J, Liu, S, Cui, Y.X, Krantz, B.A, Zhou, Z.H.
Deposit date:2020-04-13
Release date:2020-12-16
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Atomic Structures of Anthrax Prechannel Bound with Full-Length Lethal and Edema Factors.
Structure, 28, 2020
8E8V
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BU of 8e8v by Molmil
Structure of the short LOR domain of human AASS bound to N-ethylsuccinimide
Descriptor: 1-ETHYL-PYRROLIDINE-2,5-DIONE, Alpha-aminoadipic semialdehyde synthase, mitochondrial
Authors:Khamrui, S, Lazarus, M.B.
Deposit date:2022-08-25
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Characterization and structure of the human lysine-2-oxoglutarate reductase domain, a novel therapeutic target for treatment of glutaric aciduria type 1.
Open Biology, 12, 2022
6Z7Y
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BU of 6z7y by Molmil
Human insulin in complex with the analytical antibody OXI-005 Fab
Descriptor: Insulin, OXI-005 Fab Heavy chain, OXI-005 Fab Light chain
Authors:Johansson, E.
Deposit date:2020-06-02
Release date:2020-12-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Insulin binding to the analytical antibody sandwich pair OXI-005 and HUI-018: Epitope mapping and binding properties.
Protein Sci., 30, 2021
6O35
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BU of 6o35 by Molmil
Crystal structure of a de novo designed octameric helical-bundle protein
Descriptor: de novo designed WSHC8
Authors:Bick, M.J, Xu, C, Sankaran, B, Baker, D.
Deposit date:2019-02-25
Release date:2020-03-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Computational design of transmembrane pores.
Nature, 585, 2020
6H0H
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BU of 6h0h by Molmil
The ABC transporter associated binding protein from B. animalis subsp. lactis Bl-04 in complex with beta-1,6-galactobiose
Descriptor: DI(HYDROXYETHYL)ETHER, Probable solute binding protein of ABC transporter system for sugars, TETRAETHYLENE GLYCOL, ...
Authors:Fredslund, F, Lo Leggio, L.
Deposit date:2018-07-09
Release date:2019-06-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Substrate preference of an ABC importer corresponds to selective growth on beta-(1,6)-galactosides inBifidobacterium animalissubsp.lactis.
J.Biol.Chem., 294, 2019
5XB1
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BU of 5xb1 by Molmil
human ferritin mutant - E-helix deletion
Descriptor: Ferritin heavy chain
Authors:Lee, S.G, Ahn, B.J, Jeong, H, Kim, H, Hyun, J, Jung, Y.
Deposit date:2017-03-15
Release date:2018-02-21
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Four-fold Channel-Nicked Human Ferritin Nanocages for Active Drug Loading and pH-Responsive Drug Release
Angew. Chem. Int. Ed. Engl., 57, 2018

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