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8VMF
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BU of 8vmf by Molmil
Crystal structure of a transition-state mimic of the GSK-3/Axin complex bound to a beta-catenin S45D peptide
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Axin-1, ...
Authors:Enos, M.D, Gavagan, M, Jameson, N, Zalatan, J.G, Weis, W.I.
Deposit date:2024-01-13
Release date:2024-08-28
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and functional effects of phosphopriming and scaffolding in the kinase GSK-3 beta.
Sci.Signal., 17, 2024
8VME
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BU of 8vme by Molmil
Crystal structure of the GSK-3/Axin complex bound to a phosphorylated beta-catenin T41A peptide
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Axin-1, Catenin beta-1, ...
Authors:Enos, M.D, Gavagan, M, Jameson, N, Zalatan, J.G, Weis, W.I.
Deposit date:2024-01-13
Release date:2024-08-28
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and functional effects of phosphopriming and scaffolding in the kinase GSK-3 beta.
Sci.Signal., 17, 2024
8VPI
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BU of 8vpi by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Containing Quinoline-based SGI-1027 Analog 462
Descriptor: DNA Strand I, DNA Strand II, N-{3-[(2-amino-6-methylpyrimidin-4-yl)amino]-5-[(4-methylpiperazin-1-yl)methyl]phenyl}-3-[(quinolin-4-yl)amino]benzamide, ...
Authors:Zhou, J, Horton, J.R, Cheng, X.
Deposit date:2024-01-16
Release date:2024-09-25
Last modified:2024-10-02
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Quinoline-based compounds can inhibit diverse enzymes that act on DNA.
Biorxiv, 2024
8V57
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BU of 8v57 by Molmil
Complex of murine cathepsin K with bound cystatin C inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cathepsin K, ...
Authors:Pedersen, L.C, Xu, D.
Deposit date:2023-11-30
Release date:2024-10-09
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Heparan sulfate selectively inhibits the collagenase activity of cathepsin K.
Matrix Biol., 129, 2024
8VCO
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BU of 8vco by Molmil
Crystal structure of rMcL-1 in complex with N-acetyl-D-galactosamine
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Hernandez-Santoyo, A, Loera-Rubalcava, J.
Deposit date:2023-12-14
Release date:2024-12-18
Last modified:2025-05-21
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:A mytilectin from Mytilus californianus: Study of its unique galactoside interactions, oligomerization patterns, and antifungal activity.
Int.J.Biol.Macromol., 308, 2025
8VCS
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BU of 8vcs by Molmil
Crystal structure of the oligomeric rMcL-1 in complex with lactose
Descriptor: CALCIUM ION, Galactose-binding lectin, beta-D-galactopyranose, ...
Authors:Hernandez-Santoyo, A, Loera-Rubalcava, J.
Deposit date:2023-12-14
Release date:2024-12-18
Last modified:2025-05-21
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:A mytilectin from Mytilus californianus: Study of its unique galactoside interactions, oligomerization patterns, and antifungal activity.
Int.J.Biol.Macromol., 308, 2025
8VOJ
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BU of 8voj by Molmil
The Cryo-EM structure of LSD1-CoREST-HDAC1 in complex with KBTBD4 enhanced by UM171 and IP6
Descriptor: (1r,4r)-N~1~-[(7P)-2-benzyl-7-(2-methyl-2H-tetrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-yl]cyclohexane-1,4-diamine, Histone deacetylase 1, INOSITOL HEXAKISPHOSPHATE, ...
Authors:Xie, X, Mao, H, Liau, B, Zheng, N.
Deposit date:2024-01-15
Release date:2024-12-04
Last modified:2025-06-18
Method:ELECTRON MICROSCOPY (3.77 Å)
Cite:UM171 glues asymmetric CRL3-HDAC1/2 assembly to degrade CoREST corepressors.
Nature, 639, 2025
6OM6
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BU of 6om6 by Molmil
Structure of trans-translation inhibitor bound to E. coli 70S ribosome with P site tRNA
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Hoffer, E.D, Mehrani, A, Keiler, K.C, Stagg, S.M, Dunham, C.M.
Deposit date:2019-04-18
Release date:2021-02-10
Last modified:2025-03-19
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:trans-Translation inhibitors bind to a novel site on the ribosome and clear Neisseria gonorrhoeae in vivo.
Nat Commun, 12, 2021
8VTW
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BU of 8vtw by Molmil
Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with macrolone MCX-128 and protein Y at 2.35A resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-cyclopropyl-7-(4-{4-[({[(3aR,4R,7R,8S,9S,10R,11R,13R,14E,15S,15aR)-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-4-ethyl-11-methoxy-14-(methoxyimino)-3a,7,9,11,13,15-hexamethyl-2,6-dioxododecahydro-2H,4H-[1,3]dioxolo[4,5-c]oxacyclotetradecin-8-yl]oxy}carbonyl)amino]butyl}piperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (non-preferred name), 16S Ribosomal RNA, ...
Authors:Aleksandrova, E.V, Ma, C.-X, Klepacki, D, Alizadeh, F, Vazquez-Laslop, N, Liang, J.-H, Polikanov, Y.S, Mankin, A.S.
Deposit date:2024-01-27
Release date:2024-08-07
Last modified:2025-03-19
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Macrolones target bacterial ribosomes and DNA gyrase and can evade resistance mechanisms.
Nat.Chem.Biol., 20, 2024
8W9A
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BU of 8w9a by Molmil
CryoEM structure of human PI3K-alpha (P85/P110-H1047R) with QR-7909 binding at an allosteric site
Descriptor: 6-chloranyl-3-[[(1R)-1-[2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3,6-dimethyl-4-oxidanylidene-quinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Huang, X, Ren, X, Zhong, W.
Deposit date:2023-09-05
Release date:2024-04-17
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Cryo-EM structures reveal two allosteric inhibition modes of PI3K alpha H1047R involving a re-shaping of the activation loop.
Structure, 32, 2024
8W9D
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BU of 8w9d by Molmil
Cryo-EM structure of the Rpd3S-nucleosome complex from budding yeast in State 1
Descriptor: 3-DNA, 5-DNA, Chromatin modification-related protein EAF3, ...
Authors:Wang, C, Zhan, X.
Deposit date:2023-09-05
Release date:2024-05-15
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structures and dynamics of Rpd3S complex bound to nucleosome.
Sci Adv, 10, 2024
7OHR
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BU of 7ohr by Molmil
Nog1-TAP associated immature ribosomal particle population E from S. cerevisiae
Descriptor: 25S rRNA, 25S rRNA (cytosine(2870)-C(5))-methyltransferase, 27S pre-rRNA (guanosine(2922)-2'-O)-methyltransferase, ...
Authors:Milkereit, P, Poell, G.
Deposit date:2021-05-11
Release date:2021-11-10
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4.72 Å)
Cite:Analysis of subunit folding contribution of three yeast large ribosomal subunit proteins required for stabilisation and processing of intermediate nuclear rRNA precursors.
Plos One, 16, 2021
8UNV
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BU of 8unv by Molmil
CryoEM structure of beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (Class K)
Descriptor: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Papasergi-Scott, M.M, Skiniotis, G.
Deposit date:2023-10-19
Release date:2024-03-06
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
8U7U
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BU of 8u7u by Molmil
Proteasome 20S Core Particle from Beta 3 D205 deletion
Descriptor: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ...
Authors:Walsh Jr, R.M, Rawson, S, Velez, B, Blickling, M, Razi, A, Hanna, J.
Deposit date:2023-09-15
Release date:2024-04-17
Last modified:2024-09-04
Method:ELECTRON MICROSCOPY (2.16 Å)
Cite:Mechanism of autocatalytic activation during proteasome assembly.
Nat.Struct.Mol.Biol., 31, 2024
8UAT
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BU of 8uat by Molmil
Thermus scotoductus SA-01 Ene-reductase Compound 3b Complex
Descriptor: 1-[2-(4-hydroxyphenyl)ethyl]-1,4-dihydropyridine-3-carboxamide, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Wilson, L.A, Guddat, L.W, Schenk, G, Scott, C.
Deposit date:2023-09-22
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Structural Characterization of Enzymatic Interactions with Functional Nicotinamide Cofactor Biomimetics
Catalysts, 14, 2024
8UVS
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BU of 8uvs by Molmil
Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with spectinomycin derivative 2694, mRNA, deacylated A- and E-site tRNAphe, and deacylated P-site tRNAmet at 2.75A resolution
Descriptor: (2R,4R,4aS,5aR,6S,7S,8R,9S,9aR,10aS)-2-methyl-6,8-bis(methylamino)-4-({[2-(oxan-4-yl)ethyl]amino}methyl)octahydro-2H-pyrano[2,3-b][1,4]benzodioxine-4,4a,7,9(10aH)-tetrol, 16S Ribosomal RNA, 23S Ribosomal RNA, ...
Authors:Killam, B.Y, Phelps, G.A, Lee, R.E, Polikanov, Y.S.
Deposit date:2023-11-03
Release date:2024-08-07
Last modified:2025-03-19
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Development of 2nd generation aminomethyl spectinomycins that overcome native efflux in Mycobacterium abscessus.
Proc.Natl.Acad.Sci.USA, 121, 2024
8UM0
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BU of 8um0 by Molmil
The structure of NanH in complex with Neu5,7,9Ac(2,6)-LAcNAc
Descriptor: 1,2-ETHANEDIOL, 5-acetamido-7,9-di-O-acetyl-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, Sialidase, ...
Authors:Medley, B.J, Boraston, A.B.
Deposit date:2023-10-17
Release date:2024-09-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:A "terminal" case of glycan catabolism: Structural and enzymatic characterization of the sialidases of Clostridium perfringens.
J.Biol.Chem., 300, 2024
8UFY
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BU of 8ufy by Molmil
High Resolution structure of A. viridans Lactate Oxidase
Descriptor: 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, L-lactate oxidase, ...
Authors:Lodowski, D.T.
Deposit date:2023-10-05
Release date:2024-08-14
Last modified:2024-08-28
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:An engineered lactate oxidase based electrochemical sensor for continuous detection of biomarker lactic acid in human sweat and serum.
Heliyon, 10, 2024
8UXQ
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BU of 8uxq by Molmil
Structure of Heterochromatin Protein 1 (HP1) alpha in complex with an H2A.Z nucleosome
Descriptor: Chromobox protein homolog 5, DNA Widom601 (208bp) strand1, DNA Widom601 (208bp) strand2, ...
Authors:Tan, D, Sokolova, V.
Deposit date:2023-11-09
Release date:2024-09-25
Last modified:2025-04-09
Method:ELECTRON MICROSCOPY (6.3 Å)
Cite:Structural mechanism of HP1⍺-dependent transcriptional repression and chromatin compaction.
Structure, 32, 2024
8UX6
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BU of 8ux6 by Molmil
Structure of Fab201 with a T. parva sporozoite neutralizing B cell epitope of p67
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Singer, A.U, Gopalsamy, A, Fellouse, F.A, Miersch, S, Sidhu, S.S.
Deposit date:2023-11-08
Release date:2024-10-16
Last modified:2025-05-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular characterization of a synthetic neutralizing antibody targeting p67 of Theileria parva.
Protein Sci., 34, 2025
8PMR
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BU of 8pmr by Molmil
NADase from Aspergillus fumigatus with mutated calcium binding motif (D219A/E220A)
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kallio, J.P, Ferrario, E, Stromland, O, Ziegler, M.
Deposit date:2023-06-29
Release date:2023-11-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Novel Calcium-Binding Motif Stabilizes and Increases the Activity of Aspergillus fumigatus Ecto-NADase.
Biochemistry, 62, 2023
8UL1
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BU of 8ul1 by Molmil
Structure of rsKiiro using SSX after illumination with 0.1 mJ/mm^2 of 405 nm light
Descriptor: GLYCEROL, SULFATE ION, rsKiiro trans structure
Authors:Baxter, J.M, van Thor, J.J.
Deposit date:2023-10-16
Release date:2024-11-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Power Density Titration of Reversible Photoisomerization of a Fluorescent Protein Chromophore in the Presence of Thermally Driven Barrier Crossing Shown by Quantitative Millisecond Serial Synchrotron X-ray Crystallography.
J.Am.Chem.Soc., 146, 2024
6WML
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BU of 6wml by Molmil
Human TLR8 bound to the potent agonist, GS-9688 (Selgantolimod)
Descriptor: (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ...
Authors:Appleby, T.C, Perry, J.K, Mish, M, Villasenor, A.G, Mackman, R.L.
Deposit date:2020-04-21
Release date:2021-02-03
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of GS-9688 (Selgantolimod) as a Potent and Selective Oral Toll-Like Receptor 8 Agonist for the Treatment of Chronic Hepatitis B.
J.Med.Chem., 63, 2020
8VOI
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BU of 8voi by Molmil
HADDOCK models of active human alphaM I-domain bound to the the C-terminal domain of the cytokine pleiotrophin
Descriptor: Integrin alpha-M, MAGNESIUM ION, Pleiotrophin
Authors:Wang, X, Nguyen, H.
Deposit date:2024-01-15
Release date:2024-05-15
Last modified:2025-05-28
Method:SOLUTION NMR
Cite:alpha M I-domain of integrin Mac-1 binds the cytokine pleiotrophin using multiple mechanisms.
Structure, 32, 2024
8VOH
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BU of 8voh by Molmil
HADDOCK models of human alphaM I-domain bound to the the N-terminal domain of the cytokine pleiotrophin
Descriptor: Integrin alpha-M, Pleiotrophin
Authors:Wang, X, Nguyen, H.
Deposit date:2024-01-15
Release date:2024-05-15
Last modified:2025-05-28
Method:SOLUTION NMR
Cite:alpha M I-domain of integrin Mac-1 binds the cytokine pleiotrophin using multiple mechanisms.
Structure, 32, 2024

245011

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