9FSC
 
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9FSI
 | | NMR solution structure of synthetic hexapeptide | | Descriptor: | ACE-ARG-ARG-HDN-HDN-ARG-PHE | | Authors: | Geyer, A, Vazquez, O. | | Deposit date: | 2024-06-21 | | Release date: | 2025-07-02 | | Method: | SOLUTION NMR | | Cite: | Dinaphthyl Histidine-based Pharmacophore for In Vivo Eradication of Multidrug-Resistant Bacteria by Peptidoglycan Crosslinking Inhibition
To Be Published
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9FSL
 | | Crystal structure of CyuA from Methanococcus maripaludis with [2Fe-2S] clusters solved by Fe-SAD | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Pecqueur, L, He, N, Golinelli-Pimpaneau, B. | | Deposit date: | 2024-06-21 | | Release date: | 2025-07-02 | | Method: | X-RAY DIFFRACTION (2.417 Å) | | Cite: | Insights into the phylogenetic distribution, structure and function of [4Fe-4S]-dependent L-cysteine desulfidase, an enzyme that supplies sulfide to the archaeon Methanococcus maripaludis
To Be Published
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9FSW
 | | ClpP from Staphylococcus epidermidis with glycerol in some of the catalytic sites. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ATP-dependent Clp protease proteolytic subunit, GLYCEROL | | Authors: | Alves Franca, B, Rohde, H, Betzel, C. | | Deposit date: | 2024-06-22 | | Release date: | 2025-07-02 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Molecular insights into the dynamic modulation of bacterial ClpP function and oligomerization by peptidomimetic boronate compounds.
Sci Rep, 14, 2024
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9FTA
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9FXR
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9G0C
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9G0D
 | | Structure of human Mical1 bMERB_V978A domain:Rab10 complex. | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein Rab-10, ... | | Authors: | Rai, A, Goody, R.S. | | Deposit date: | 2024-07-08 | | Release date: | 2025-07-02 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Biochemical and structural insights into the auto-inhibited state of Mical1 and its activation by Rab8
Elife, 2024
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9G0H
 | | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the noncovalently bound inhibitor C5N17A | | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Yang, C.-C, Strater, N, Sylvester, K, Muller, C.E, Yang, M, Lee, M.K, Gao, S, Song, L, Liu, X, Kim, M, Zhan, P. | | Deposit date: | 2024-07-08 | | Release date: | 2025-07-02 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Miniaturized Modular Click Chemistry-enabled Rapid Discovery of Unique SARS-CoV-2 M pro Inhibitors With Robust Potency and Drug-like Profile.
Adv Sci, 11, 2024
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9G0I
 | | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the noncovalently bound inhibitor C5N17B | | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, IMIDAZOLE, ... | | Authors: | Yang, C.-C, Strater, N, Sylvester, K, Muller, C.E, Yang, M, Lee, M.K, Gao, S, Song, L, Liu, X, Kim, M, Zhan, P. | | Deposit date: | 2024-07-08 | | Release date: | 2025-07-02 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Miniaturized Modular Click Chemistry-enabled Rapid Discovery of Unique SARS-CoV-2 M pro Inhibitors With Robust Potency and Drug-like Profile.
Adv Sci, 11, 2024
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9GAB
 | | Structure and catalytic mechanism of SAM-AMP lyase in Clostridium botulinum CorA-associated type III CRISPR system | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, SAM-AMP Lyase, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl [(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-2-(methylsulfanylmethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate | | Authors: | McMahon, S.A, Chi, H, Gloster, T.M, White, M.F, Graham, S. | | Deposit date: | 2024-07-26 | | Release date: | 2025-07-02 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | SAM-AMP lyases in CRISPR defence and anti-defence
To Be Published
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9GAD
 | | Structure and catalytic mechanism of SAM-AMP lyase in Clostridium botulinum CorA-associated type III CRISPR system | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, SAM-AMP Lyase | | Authors: | McMahon, S.A, Gloster, T.M, White, M.F, Graham, S, Chi, H. | | Deposit date: | 2024-07-26 | | Release date: | 2025-07-02 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | SAM-AMP lyases in CRISPR defence and anti-defence
To Be Published
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9GL2
 | | Befiradol-bound serotonin 5-HT1A receptor - Gs Protein Complex | | Descriptor: | (2R)-1-(heptadecanoyloxy)-3-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, (3-chloranyl-4-fluoranyl-phenyl)-[4-fluoranyl-4-[[(5-methylpyridin-2-yl)methylamino]methyl]piperidin-1-yl]methanone, 5-hydroxytryptamine receptor 1A, ... | | Authors: | Schneider, J, Gmeiner, P, Boettcher, B, Rasmussen, T. | | Deposit date: | 2024-08-26 | | Release date: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Discovery of a functionally selective serotonin receptor (5-HT 1A R) agonist for the treatment of pain.
Sci Adv, 11, 2025
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9GLF
 | | Anthraquinone Pigment Production Regulated by Cinnamic Acid | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, AntI, ... | | Authors: | Su, L, Schmalhofer, M, Grammbitter, G.L.C, Paczia, N, Glatter, T, Groll, M, Bode, H.B. | | Deposit date: | 2024-08-27 | | Release date: | 2025-07-02 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The Isopropylstilbene Precursor Cinnamic Acid Inhibits Anthraquinone Pigment Production by Targeting AntI.
J.Am.Chem.Soc., 147, 2025
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9GTG
 | | RIPK1 in complex with AZ"902 | | Descriptor: | (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione, Receptor-interacting serine/threonine-protein kinase 1, ~{N}-[[(3~{S})-1-ethanoylpyrrolidin-3-yl]methyl]-~{N}-methyl-4-quinolin-7-yl-benzenesulfonamide | | Authors: | Petersen, J. | | Deposit date: | 2024-09-17 | | Release date: | 2025-07-02 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Discovery and Validation of a Novel Class of Necroptosis Inhibitors Targeting RIPK1.
Acs Chem.Biol., 2025
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9GU7
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9GUM
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9GUO
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9GYP
 | | Crystal structure of human Histidine Triad Nucleotide-Binding Protein 1 in complex with KV24 | | Descriptor: | Histidine triad nucleotide-binding protein 1, SULFATE ION, ~{N}-oxidanyl-4-(5~{H}-pyrrolo[1,2-a]quinoxalin-4-yl)benzamide | | Authors: | Dolot, R.M, Lechner, S, Sethiya, J.P, Wagner, C.R, Bracher, F, Kuster, B. | | Deposit date: | 2024-10-02 | | Release date: | 2025-07-02 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Serendipitous and Systematic Chemoproteomic Discovery of MBLAC2, HINT1, and NME1-4 Inhibitors from Histone Deacetylase-Targeting Pharmacophores.
Acs Chem.Biol., 20, 2025
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9GYQ
 | | Crystal structure of human Histidine Triad Nucleotide-Binding Protein 1 in complex with KV30 | | Descriptor: | Histidine triad nucleotide-binding protein 1, SULFATE ION, ~{N}-oxidanyl-4-phenanthridin-6-yl-benzamide | | Authors: | Dolot, R.M, Lechner, S, Sethiya, J.P, Wagner, C.R, Bracher, F, Kuster, B. | | Deposit date: | 2024-10-02 | | Release date: | 2025-07-02 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Serendipitous and Systematic Chemoproteomic Discovery of MBLAC2, HINT1, and NME1-4 Inhibitors from Histone Deacetylase-Targeting Pharmacophores.
Acs Chem.Biol., 20, 2025
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9H0N
 | | Fucosylated Lacto-N-biose binding protein from Bifidobacterium longum subsp. infantis in complex with Galacto-N-biose | | Descriptor: | Extracellular solute-binding protein, family 1, SODIUM ION, ... | | Authors: | Jensen, M, Hansen, M.E, Sakanaka, H, Slotboom, D.J, Abou Hachem, M, Morth, J.P. | | Deposit date: | 2024-10-08 | | Release date: | 2025-07-02 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Uptake of fucosylated type I human milk oligosaccharide blocks by Bifidobacterium longum subsp. infantis
Mbio, 2025
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9H0O
 | | Fucosylated Lacto-N-biose binding protein from Bifidobacterium longum subsp. infantis in complex with Lacto-N-biose | | Descriptor: | CALCIUM ION, Extracellular solute-binding protein, family 1, ... | | Authors: | Jensen, M, Hansen, M.E, Sakanaka, H, Slotboom, D.J, Abou Hachem, M, Morth, J.P. | | Deposit date: | 2024-10-08 | | Release date: | 2025-07-02 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Uptake of fucosylated type I human milk oligosaccharide blocks by Bifidobacterium longum subsp. infantis
Mbio, 2025
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9H0P
 | | Fucosylated Lacto-N-biose binding protein from Bifidobacterium longum subsp. infantis in complex with H1 trisaccharide | | Descriptor: | Extracellular solute-binding protein, family 1, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-glucopyranose | | Authors: | Jensen, M, Hansen, M.E, Sakanaka, H, Slotboom, D.J, Abou Hachem, M, Morth, J.P. | | Deposit date: | 2024-10-08 | | Release date: | 2025-07-02 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Uptake of fucosylated type I human milk oligosaccharide blocks by Bifidobacterium longum subsp. infantis
Mbio, 2025
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9H8T
 | | Cryo-EM structure of the atovaquone-inhibited Complex III from the Chlorocebus sabaeus respirasome | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]-3,4-DIHYDROXY-1(2H)-NAPHTHALENONE, ... | | Authors: | Maclean, A, Muhleip, A. | | Deposit date: | 2024-10-29 | | Release date: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (2.67 Å) | | Cite: | Structure, assembly and inhibition of the Toxoplasma gondii respiratory chain supercomplex.
Nat.Struct.Mol.Biol., 2025
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9HEJ
 | | Dimeric CD163 bound to human haptoglobin-haemoglobin complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Zhou, R.X, Higgins, M.K. | | Deposit date: | 2024-11-14 | | Release date: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (2.82 Å) | | Cite: | Scavenger receptor CD163 multimerises to allow uptake of diverse ligands
To Be Published
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