8Q0F
 
 | | Inward-facing, open2 proteoliposome complex I at 3.1 A. Initially purified in DDM. | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Grba, D.N, Hirst, J. | | Deposit date: | 2023-07-28 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Molecular mechanism of the ischemia-induced regulatory switch in mammalian complex I.
Science, 384, 2024
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8Q0E
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8Q0A
 | | Inward-facing, closed proteoliposome complex I at 3.1 A. Initially purified in DDM. | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Grba, D.N, Hirst, J. | | Deposit date: | 2023-07-28 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Molecular mechanism of the ischemia-induced regulatory switch in mammalian complex I.
Science, 384, 2024
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8PZK
 | | Crystal structure of the Orange Carotenoid Protein 2 (OCP2) from Gloeocapsa sp. PCC 7428 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AZIDE ION, GLYCEROL, ... | | Authors: | Boyko, K.M, Varfolomeeva, L.A, Slonimskiy, Y.B, Maksimov, E.G, Popov, V.O, Sluchanko, N.N. | | Deposit date: | 2023-07-27 | | Release date: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural framework for the understanding spectroscopic and functional signatures of the cyanobacterial Orange Carotenoid Protein families.
Int.J.Biol.Macromol., 254, 2024
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8PZ7
 | | crystal structure of VDR complex with D-Bishomo-1a,25-dihydroxyvitamin D3 Analog 57 | | Descriptor: | (1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{R},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,8,9,9~{a}-hexahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-2-methyl-cyclohexane-1,3-diol, Nuclear receptor coactivator 2, Vitamin D3 receptor A | | Authors: | Rochel, N. | | Deposit date: | 2023-07-27 | | Release date: | 2023-08-30 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | Design, synthesis, and biological activity of D-bishomo-1 alpha ,25-dihydroxyvitamin D 3 analogs and their crystal structures with the vitamin D nuclear receptor.
Eur.J.Med.Chem., 271, 2024
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8PYY
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8PYW
 | | Crystal structure of the human Nucleoside-diphosphate kinase B domain bound to compound diphosphate form of AT-9052-Sp. | | Descriptor: | GLYCEROL, Nucleoside diphosphate kinase B, [[(2R,3R,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphoryl] dihydrogen phosphate | | Authors: | Feracci, M, Chazot, A. | | Deposit date: | 2023-07-26 | | Release date: | 2023-12-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.553 Å) | | Cite: | An exonuclease-resistant chain-terminating nucleotide analogue targeting the SARS-CoV-2 replicase complex.
Nucleic Acids Res., 52, 2024
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8PY3
 | | Crystal structure of human Sirt2 in complex with a 1,2,4-oxadiazole based inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-chloranyl-~{N}-[4-[5-[[(3~{S})-1-[(3-fluoranyl-2-methyl-phenyl)methyl]piperidin-3-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]benzamide, ... | | Authors: | Friedrich, F, Colcerasa, A, Einsle, O, Jung, M. | | Deposit date: | 2023-07-24 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure-Activity Studies of 1,2,4-Oxadiazoles for the Inhibition of the NAD + -Dependent Lysine Deacylase Sirtuin 2.
J.Med.Chem., 67, 2024
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8PXV
 | | Targeting extended blood antigens by Akkermansia muciniphila enzymes unveils a missing link for generating universal donor blood | | Descriptor: | Beta-N-acetylhexosaminidase, GLYCEROL, SODIUM ION, ... | | Authors: | Weikum, J, Jensen, M, Abou Hachem, M, Morth, J.P. | | Deposit date: | 2023-07-24 | | Release date: | 2024-02-28 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Akkermansia muciniphila exoglycosidases target extended blood group antigens to generate ABO-universal blood.
Nat Microbiol, 9, 2024
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8PXN
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH (1R,1'R)-7,7'-(ethane-1,2-diylbis(oxy))bis(1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one) | | Descriptor: | (1R)-7-[2-[[(1R)-1,3-dimethyl-2-oxidanylidene-1H-3-benzazepin-7-yl]oxy]ethoxy]-1,3-dimethyl-1H-3-benzazepin-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | Authors: | Chung, C. | | Deposit date: | 2023-07-23 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.952 Å) | | Cite: | Design and Characterization of 1,3-Dihydro-2 H -benzo[ d ]azepin-2-ones as Rule-of-5 Compliant Bivalent BET Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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8PXM
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH (1R,1'R)-7,7'-(pentane-1,5-diylbis(oxy))bis(1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one) | | Descriptor: | (1R)-7-[5-[[(1R)-1,3-dimethyl-2-oxidanylidene-1H-3-benzazepin-7-yl]oxy]pentoxy]-1,3-dimethyl-1H-3-benzazepin-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | Authors: | Chung, C.W. | | Deposit date: | 2023-07-23 | | Release date: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.378 Å) | | Cite: | Design and Characterization of 1,3-Dihydro-2 H -benzo[ d ]azepin-2-ones as Rule-of-5 Compliant Bivalent BET Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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8PXL
 | | Structure of NADH-DEPENDENT FERREDOXIN REDUCTASE, BPHA4, solved at wavelength 1.37 A | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID, Ferredoxin reductase, ... | | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Senda, M, Matsugaki, N, Kawano, Y, Wagner, A. | | Deposit date: | 2023-07-23 | | Release date: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
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8PXH
 | | Structure of TauA from E. coli, solved at wavelength 2.375 A | | Descriptor: | 2-AMINOETHANESULFONIC ACID, IODIDE ION, Taurine ABC transporter substrate-binding protein | | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Qu, F, Beis, K, Wagner, A. | | Deposit date: | 2023-07-23 | | Release date: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
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8PXG
 | | Structure of Streptactin, solved at wavelength 2.75 A | | Descriptor: | CHLORIDE ION, GLYCEROL, Streptavidin | | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Vecchia, L, Jones, E.Y, Wagner, A. | | Deposit date: | 2023-07-23 | | Release date: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
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8PXA
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8PX8
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8PX7
 | | Structure of Bacterial Multidrug Efflux transporter AcrB, solved at wavelength 3.02 A | | Descriptor: | Multidrug efflux pump subunit AcrB | | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Qu, F, Beis, K, Wagner, A. | | Deposit date: | 2023-07-22 | | Release date: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
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8PX2
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8PX0
 | | Structure of ribonuclease A, solved at wavelength 2.75 A | | Descriptor: | L-URIDINE-5'-MONOPHOSPHATE, Ribonuclease pancreatic | | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Romano, M, Beis, K, Wagner, A. | | Deposit date: | 2023-07-22 | | Release date: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
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8PWX
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8PWW
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8PWV
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8PWU
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8PWR
 | | TINA-conjugated antiparallel DNA triplex | | Descriptor: | DNA (5'-D(*AP*GP*GP*AP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*TP*CP*CP*T)-3'), DNA (5'-D(*TP*GP*GP*TP*GP*(J32)P*GP*T)-3') | | Authors: | Garavis, M, Edwards, P.J.B, Serrano-Chacon, I, Doluca, O, Filichev, V.V, Gonzalez, C. | | Deposit date: | 2023-07-21 | | Release date: | 2024-01-17 | | Last modified: | 2024-03-27 | | Method: | SOLUTION NMR | | Cite: | Understanding intercalative modulation of G-rich sequence folding: solution structure of a TINA-conjugated antiparallel DNA triplex.
Nucleic Acids Res., 52, 2024
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8PW7
 | | A respirasome from murine liver | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Vercellino, I, Sazanov, L.A. | | Deposit date: | 2023-07-19 | | Release date: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | SCAF1 drives the compositional diversity of mammalian respirasomes.
Nat.Struct.Mol.Biol., 2024
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