6RSL
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7SLB
| [T:Ag+:T--pH 8.5] Metal-mediated DNA base pair in tensegrity triangle | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*TP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*TP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | Authors: | Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | Deposit date: | 2021-10-24 | Release date: | 2022-10-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (4.31 Å) | Cite: | Heterobimetallic Base Pair Programming in Designer 3D DNA Crystals. J.Am.Chem.Soc., 145, 2023
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7SLE
| [T:Ag+:T--pH 10] Metal-mediated DNA base pair in tensegrity triangle | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*TP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*TP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | Authors: | Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | Deposit date: | 2021-10-24 | Release date: | 2022-10-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (4.39 Å) | Cite: | Heterobimetallic Base Pair Programming in Designer 3D DNA Crystals. J.Am.Chem.Soc., 145, 2023
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7SLD
| [T:Ag+:T--pH 9.5] Metal-mediated DNA base pair in tensegrity triangle | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*TP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*TP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | Authors: | Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | Deposit date: | 2021-10-24 | Release date: | 2022-10-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (4.13 Å) | Cite: | Heterobimetallic Base Pair Programming in Designer 3D DNA Crystals. J.Am.Chem.Soc., 145, 2023
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7SLG
| [T:Ag+:T--pH 11] Metal-mediated DNA base pair in tensegrity triangle | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*TP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*TP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | Authors: | Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | Deposit date: | 2021-10-24 | Release date: | 2022-10-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (5.1 Å) | Cite: | Heterobimetallic Base Pair Programming in Designer 3D DNA Crystals. J.Am.Chem.Soc., 145, 2023
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7SLF
| [T:Ag+:T--pH 10.5] Metal-mediated DNA base pair in tensegrity triangle | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*TP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*TP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | Authors: | Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | Deposit date: | 2021-10-24 | Release date: | 2022-10-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (4.83 Å) | Cite: | Heterobimetallic Base Pair Programming in Designer 3D DNA Crystals. J.Am.Chem.Soc., 145, 2023
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6OIO
| Crystal structure of MYST acetyltransferase domain in complex with inhibitor 60 | Descriptor: | Histone acetyltransferase KAT8, N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide, ZINC ION | Authors: | Hermans, S.J, Chung, M.C, Parker, M.W, Thomas, T, Baell, J.B. | Deposit date: | 2019-04-09 | Release date: | 2019-07-03 | Last modified: | 2019-08-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of Benzoylsulfonohydrazides as Potent Inhibitors of the Histone Acetyltransferase KAT6A. J.Med.Chem., 62, 2019
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6XR2
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7SLL
| [U:Ag+:U--pH 9.5] Metal-mediated DNA base pair in tensegrity triangle | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*UP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*UP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | Authors: | Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | Deposit date: | 2021-10-24 | Release date: | 2022-10-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.73 Å) | Cite: | Heterobimetallic Base Pair Programming in Designer 3D DNA Crystals. J.Am.Chem.Soc., 145, 2023
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6OL7
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7SLN
| [U:Ag+:U--pH 10.5] Metal-mediated DNA base pair in tensegrity triangle | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*UP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*UP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | Authors: | Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | Deposit date: | 2021-10-24 | Release date: | 2022-10-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (4.02 Å) | Cite: | Heterobimetallic Base Pair Programming in Designer 3D DNA Crystals. J.Am.Chem.Soc., 145, 2023
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7SLJ
| [U:Ag+:U--pH 8.5] Metal-mediated DNA base pair in tensegrity triangle | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*UP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*UP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | Authors: | Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | Deposit date: | 2021-10-24 | Release date: | 2022-10-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (4.16 Å) | Cite: | Heterobimetallic Base Pair Programming in Designer 3D DNA Crystals. J.Am.Chem.Soc., 145, 2023
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6XQV
| Crystal structure of the catalytic domain of PBP2 S310A from Neisseria gonorrhoeae in a pre-acylation complex with ceftriaxone | Descriptor: | CHLORIDE ION, Ceftriaxone, Probable peptidoglycan D,D-transpeptidase PenA, ... | Authors: | Fenton, B.A, Zhou, P, Davies, C. | Deposit date: | 2020-07-10 | Release date: | 2021-07-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Mutations in PBP2 from ceftriaxone-resistant Neisseria gonorrhoeae alter the dynamics of the beta 3-beta 4 loop to favor a low-affinity drug-binding state. J.Biol.Chem., 297, 2021
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6XQY
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8PD0
| cryo-EM structure of Doa10 in MSP1E3D1 | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE, ERAD-associated E3 ubiquitin-protein ligase DOA10 | Authors: | Botsch, J.J, Braeuning, B, Schulman, B.A. | Deposit date: | 2023-06-11 | Release date: | 2024-01-17 | Method: | ELECTRON MICROSCOPY (3.58 Å) | Cite: | Doa10/MARCH6 architecture interconnects E3 ligase activity with lipid-binding transmembrane channel to regulate SQLE. Nat Commun, 15, 2024
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8PDA
| cryo-EM structure of Doa10 with RING domain in MSP1E3D1 | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE, ERAD-associated E3 ubiquitin-protein ligase DOA10 | Authors: | Botsch, J.J, Braeuning, B, Schulman, B.A. | Deposit date: | 2023-06-12 | Release date: | 2024-01-17 | Method: | ELECTRON MICROSCOPY (3.58 Å) | Cite: | Doa10/MARCH6 architecture interconnects E3 ligase activity with lipid-binding transmembrane channel to regulate SQLE. Nat Commun, 15, 2024
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7N35
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8PDD
| Thioredoxin glutathione reductase of Schistosoma mansoni at 1.25A resolution. | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N. | Deposit date: | 2023-06-12 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni. Sci Rep, 14, 2024
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6ODC
| Crystal structure of HDAC8 in complex with compound 30 | Descriptor: | (2E)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phenyl]-N-hydroxyprop-2-enamide, 1,2-ETHANEDIOL, Histone deacetylase 8, ... | Authors: | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | Deposit date: | 2019-03-26 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors To Be Published
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6XQR
| OXA-48 bound by Compound 2.2 | Descriptor: | Beta-lactamase, CHLORIDE ION, [1,1'-biphenyl]-4,4'-disulfonic acid | Authors: | Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2020-07-10 | Release date: | 2021-12-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48. Acs Infect Dis., 7, 2021
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8P0D
| Human 14-3-3 sigma in complex with human MDM2 peptide | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Roversi, P, Ward, J, Doveston, R, Kwon, H, Romartinez Alonso, B. | Deposit date: | 2023-05-10 | Release date: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Characterizing the protein-protein interaction between MDM2 and 14-3-3 sigma ; proof of concept for small molecule stabilization. J.Biol.Chem., 300, 2024
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8OWJ
| Lipidic amyloid-beta(1-40) fibril - polymorph L2-L2 | Descriptor: | Amyloid-beta A4 protein | Authors: | Frieg, B, Han, M, Giller, K, Dienemann, C, Riedel, D, Becker, S, Andreas, L.B, Griesinger, C, Schroeder, G.F. | Deposit date: | 2023-04-28 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.75 Å) | Cite: | Cryo-EM structures of lipidic fibrils of amyloid-beta (1-40). Nat Commun, 15, 2024
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8OVM
| Lipidic amyloid-beta(1-40) fibril - polymorph L2 | Descriptor: | Amyloid-beta A4 protein | Authors: | Frieg, B, Han, M, Giller, K, Dienemann, C, Riedel, D, Becker, S, Andreas, L.B, Griesinger, C, Schroeder, G.F. | Deposit date: | 2023-04-26 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | Cryo-EM structures of lipidic fibrils of amyloid-beta (1-40). Nat Commun, 15, 2024
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7S07
| Crystal structure of Epstein-Barr virus glycoprotein gH/gL/gp42-peptide in complex with human neutralizing antibodies 769B10 and 769C2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 769B10 Fab heavy chain, 769B10 Fab light chain, ... | Authors: | Chen, W.-H, Kanekiyo, M, Cohen, J.I, Joyce, M.G. | Deposit date: | 2021-08-30 | Release date: | 2022-11-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.29 Å) | Cite: | Epstein-Barr virus gH/gL has multiple sites of vulnerability for virus neutralization and fusion inhibition. Immunity, 55, 2022
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8OWE
| Lipidic amyloid-beta(1-40) fibril - polymorph L2-L3 | Descriptor: | Amyloid-beta A4 protein | Authors: | Frieg, B, Han, M, Giller, K, Dienemann, C, Riedel, D, Becker, S, Andreas, L.B, Griesinger, C, Schroeder, G.F. | Deposit date: | 2023-04-27 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.75 Å) | Cite: | Cryo-EM structures of lipidic fibrils of amyloid-beta (1-40). Nat Commun, 15, 2024
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