9PF5
 
 | | [A4J] Asymmetric tensegrity triangle with a 4 nucleotide single stranded region adjacent to the junction | | Descriptor: | DNA (5'-D(*AP*AP*CP*CP*TP*AP*CP*CP*TP*GP*GP*CP*AP*GP*GP*AP*CP*GP*AP*CP*T)-3'), DNA (5'-D(*CP*AP*CP*GP*AP*GP*CP*CP*TP*GP*AP*TP*CP*GP*GP*AP*CP*AP*AP*GP*A)-3'), DNA (5'-D(*GP*AP*GP*CP*GP*AP*CP*CP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*TP*CP*A)-3'), ... | | Authors: | Horvath, A, Wang, M, Woloszyn, K, Vecchioni, S, Ohayon, Y.P, Sha, R. | | Deposit date: | 2025-07-03 | | Release date: | 2025-08-20 | | Method: | X-RAY DIFFRACTION (5.62 Å) | | Cite: | Single Stranded Regions in Tensegrity Triangles
To Be Published
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9PF6
 | | [A4M] Asymmetric tensegrity triangle with a 4 nucleotide single stranded region on one side | | Descriptor: | DNA (5'-D(*AP*AP*CP*CP*TP*AP*CP*CP*TP*GP*GP*CP*AP*GP*GP*AP*CP*GP*AP*CP*T)-3'), DNA (5'-D(*CP*AP*CP*CP*GP*AP*TP*CP*AP*CP*CP*TP*GP*CP*CP*AP*C)-3'), DNA (5'-D(*CP*AP*GP*AP*TP*AP*CP*CP*TP*GP*AP*TP*CP*GP*GP*AP*CP*TP*AP*CP*G)-3'), ... | | Authors: | Horvath, A, Wang, M, Woloszyn, K, Vecchioni, S, Ohayon, Y.P, Sha, R. | | Deposit date: | 2025-07-03 | | Release date: | 2025-08-20 | | Method: | X-RAY DIFFRACTION (6.83 Å) | | Cite: | Single Stranded Regions in Tensegrity Triangles
To Be Published
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9PF7
 | | [A1M] Asymmetric tensegrity triangle with a 1 nucleotide single stranded region on one side | | Descriptor: | DNA (5'-D(*AP*AP*CP*CP*TP*AP*CP*CP*TP*GP*GP*CP*AP*GP*GP*AP*CP*GP*AP*CP*T)-3'), DNA (5'-D(*AP*CP*AP*CP*CP*GP*AP*TP*CP*AP*CP*CP*TP*GP*CP*CP*AP*CP*CP*G)-3'), DNA (5'-D(*CP*AP*GP*AP*TP*AP*CP*CP*TP*GP*AP*TP*CP*GP*GP*AP*CP*TP*AP*CP*G)-3'), ... | | Authors: | Horvath, A, Wang, M, Woloszyn, K, Vecchioni, S, Ohayon, Y.P, Sha, R. | | Deposit date: | 2025-07-03 | | Release date: | 2025-08-20 | | Method: | X-RAY DIFFRACTION (4.59 Å) | | Cite: | Single Stranded Regions in Tensegrity Triangles
To Be Published
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9PF8
 | | [A1J] Asymmetric tensegrity triangle with a 1 nucleotide single stranded region adjacent to the junction | | Descriptor: | DNA (5'-D(*AP*AP*CP*CP*TP*AP*CP*CP*TP*GP*GP*CP*AP*GP*GP*AP*CP*GP*AP*CP*T)-3'), DNA (5'-D(*CP*AP*CP*GP*AP*GP*CP*CP*TP*GP*AP*TP*CP*GP*GP*AP*CP*AP*AP*GP*A)-3'), DNA (5'-D(*CP*TP*GP*CP*CP*AP*CP*CP*GP*TP*AP*CP*AP*CP*CP*GP*AP*TP*CP*A)-3'), ... | | Authors: | Horvath, A, Wang, M, Woloszyn, K, Vecchioni, S, Ohayon, Y.P, Sha, R. | | Deposit date: | 2025-07-03 | | Release date: | 2025-08-20 | | Method: | X-RAY DIFFRACTION (6.1 Å) | | Cite: | Single Stranded Regions in Tensegrity Triangles
To Be Published
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9PGP
 | | [S1M] Tensegrity triangle with a 1 nucleotide single stranded region on one side | | Descriptor: | DNA (5'-D(*AP*AP*CP*CP*TP*AP*CP*CP*TP*GP*GP*CP*AP*GP*GP*AP*CP*GP*AP*CP*T)-3'), DNA (5'-D(*CP*AP*GP*AP*TP*AP*CP*CP*TP*GP*AP*TP*CP*GP*GP*AP*CP*TP*AP*CP*G)-3'), DNA (5'-D(*GP*AP*GP*CP*GP*AP*CP*CP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*TP*CP*A)-3'), ... | | Authors: | Horvath, A, Wang, M, Woloszyn, K, Vecchioni, S, Ohayon, Y.P, Sha, R. | | Deposit date: | 2025-07-08 | | Release date: | 2025-08-20 | | Method: | X-RAY DIFFRACTION (8.02 Å) | | Cite: | Single stranded regions in tensegrity triangles
To Be Published
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9PGR
 | | [18AG] 18 bp tensegrity triangle that propagates via blunt-end stacking with A stacking on G at the interface | | Descriptor: | DNA (5'-D(*GP*CP*AP*CP*CP*TP*GP*TP*A)-3'), DNA (5'-D(*TP*GP*AP*TP*GP*TP*GP*GP*TP*GP*C)-3'), DNA (5'-D(P*CP*GP*GP*AP*CP*AP*TP*CP*A)-3'), ... | | Authors: | Horvath, A, Vecchioni, S, Woloszyn, K, Ohayon, Y.P, Sha, R. | | Deposit date: | 2025-07-08 | | Release date: | 2025-08-20 | | Method: | X-RAY DIFFRACTION (3.62 Å) | | Cite: | Shifted tensegrity triangles
To Be Published
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9PLN
 | | Locally-refined structure of alpha2a adrenergic receptor in complex with Go heterotrimer, scFv16, and N-(5-methylnaphthalen-1-yl)pyridin-4-amine (compound 4905) | | Descriptor: | Alpha-2A adrenergic receptor, N-(5-methylnaphthalen-1-yl)pyridin-4-amine | | Authors: | Srinivasan, K, Xu, X, Mailhot, O, Manglik, A, Shoichet, B. | | Deposit date: | 2025-07-15 | | Release date: | 2025-08-20 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Toward a Random Background for Ligand Optimization
To Be Published
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9PMW
 | | Structure of HTTQ23-HAP40 complex bound to macrocycles HHL1, HD4 and HL2 | | Descriptor: | 40-kDa huntingtin-associated protein, HD4, HHL1, ... | | Authors: | Balakrishnan, S, Deme, J, Lea, S.M, Harding, R.J. | | Deposit date: | 2025-07-18 | | Release date: | 2025-08-20 | | Method: | ELECTRON MICROSCOPY (2.1 Å) | | Cite: | High-Affinity, Structure-Validated and Selective Macrocyclic Peptide Tools for Chemical Biology Studies of Huntingtin
Biorxiv, 2025
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9PN0
 | | Structure of HTTQ23-HAP40 complex bound to macrocycles HHL1, HD4 and HL2 | | Descriptor: | 40-kDa huntingtin-associated protein, HD4, HHD3, ... | | Authors: | Balakrishnan, S, Deme, J, Lea, S.M, Harding, R.J. | | Deposit date: | 2025-07-18 | | Release date: | 2025-08-20 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | High-Affinity, Structure-Validated and Selective Macrocyclic Peptide Tools for Chemical Biology Studies of Huntingtin
Biorxiv, 2025
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9PQD
 | | Locally-refined structure of alpha2a adrenergic receptor in complex with Go heterotrimer, scFv16, and compound Z7149 | | Descriptor: | (6M)-1-methyl-6-(1,2,5,6-tetrahydropyridin-3-yl)-1H-indole, Alpha-2A adrenergic receptor | | Authors: | Srinivasan, K, Wu, Y, Billesboelle, C, Kim, J.Y, Manglik, A, Shoichet, B.K. | | Deposit date: | 2025-07-22 | | Release date: | 2025-08-20 | | Method: | ELECTRON MICROSCOPY (3.29 Å) | | Cite: | Large library docking for polypharmacology
To Be Published
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9PYV
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9PZI
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9PZL
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9QM9
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9QWJ
 | | Crystal structure of S2c TCR in complex with CD1c | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Karuppiah, V. | | Deposit date: | 2025-04-14 | | Release date: | 2025-08-20 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | A CD1c lipid agnostic T cell receptor bispecific engager redirects T cells against CD1c + cells.
Front Immunol, 16, 2025
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9QWK
 | | Crystal structure of S2c-a5b6 TCR in complex with CD1c | | Descriptor: | 1,2-ETHANEDIOL, 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, ... | | Authors: | Karuppiah, V, Rangel, V.L. | | Deposit date: | 2025-04-14 | | Release date: | 2025-08-20 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | A CD1c lipid agnostic T cell receptor bispecific engager redirects T cells against CD1c + cells.
Front Immunol, 16, 2025
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9R35
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9R5Z
 | | Crystal structure of JAK3 with GCL258 | | Descriptor: | 1-phenylurea, 3-(3-cyclohexyl-3,8,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-5-yl)benzenesulfonyl fluoride, Tyrosine-protein kinase JAK3 | | Authors: | Wang, G.Q, Chaikuad, A, Hillebrand, L, Gehringer, M, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2025-05-11 | | Release date: | 2025-08-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A twist in the tale: shifting from covalent targeting of a tyrosine in JAK3 to a lysine in MK2.
Rsc Med Chem, 2025
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9S44
 | | Human Histone Deacetylase SIRT2 | | Descriptor: | NAD-dependent protein deacetylase sirtuin-2, ZINC ION | | Authors: | Wirawan, R, Frei, M, Heider, A, Papenkordt, N, Friedrich, F, Wein, T, Jung, M, Groll, M, Huber, E.M, Bracher, F. | | Deposit date: | 2025-07-25 | | Release date: | 2025-08-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Enhancing the potency of sirtuin 2 inhibitors through rational functional group modulations targeting NAD+ co-factor interactions
To Be Published
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9S46
 | | Human SIRT2 in Complex with RW-78 | | Descriptor: | 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-2, ZINC ION, ... | | Authors: | Wirawan, R, Frei, M, Heider, A, Papenkordt, N, Friedrich, F, Wein, T, Jung, M, Groll, M, Huber, E.M, Bracher, F. | | Deposit date: | 2025-07-25 | | Release date: | 2025-08-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Enhancing the potency of sirtuin 2 inhibitors through rational functional group modulations targeting NAD+ co-factor interactions
To Be Published
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9S48
 | | Human SIRT2 in Complex with RW-80 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, NAD-dependent protein deacetylase sirtuin-2, ... | | Authors: | Wirawan, R, Frei, M, Heider, A, Papenkordt, N, Friedrich, F, Wein, T, Jung, M, Groll, M, Huber, E.M, Bracher, F. | | Deposit date: | 2025-07-25 | | Release date: | 2025-08-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Enhancing the potency of sirtuin 2 inhibitors through rational functional group modulations targeting NAD+ co-factor interactions
To Be Published
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9S5X
 | | Crystal structure of Neisseria gonorrhoeae FabI in complex with NADH and (E)-3-((2R,3S)-3-hydroxy-2-methyl-4-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-8-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide | | Descriptor: | (~{E})-~{N}-methyl-~{N}-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[(2~{R},3~{S})-2-methyl-3-oxidanyl-4-oxidanylidene-1,2,3,5-tetrahydropyrido[2,3-b][1,4]diazepin-8-yl]prop-2-enamide, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Ronin, C, Gerusz, V, Ciesielski, F. | | Deposit date: | 2025-07-30 | | Release date: | 2025-08-20 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Discovery of gofabicin: a bactericidal FabI-inhibitor that clears antibiotic-resistant Neisseria gonorrhoeae in vivo
To Be Published
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9U4L
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9U6E
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9U7A
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