7ZTK
 
 | | NME1 in complex with CoA | | Descriptor: | COENZYME A, Nucleoside diphosphate kinase A | | Authors: | Garcia-Saez, I, Iuso, D, Khochbin, S, Petosa, C. | | Deposit date: | 2022-05-10 | | Release date: | 2023-08-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Nucleoside diphosphate kinases 1 and 2 regulate a protective liver response to a high-fat diet.
Sci Adv, 9, 2023
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5II7
 | | In-house sulfur-SAD structure of orthorhombic red abalone lysin at 1.66 A resolution | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Egg-lysin, SULFATE ION | | Authors: | Sadat Al-Hosseini, H, Raj, I, Nishimura, K, Jovine, L. | | Deposit date: | 2016-03-01 | | Release date: | 2017-06-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Structural Basis of Egg Coat-Sperm Recognition at Fertilization.
Cell, 169, 2017
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8A2P
 | | Room-temperature structure of the stabilised A2A-LUAA47070 complex determined by synchrotron serial crystallography | | Descriptor: | 4-(3,3-dimethylbutanoylamino)-3,5-bis(fluoranyl)-~{N}-(1,3-thiazol-2-yl)benzamide, Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, ... | | Authors: | Moraes, I, Kwan, T.O.C, Axford, D. | | Deposit date: | 2022-06-06 | | Release date: | 2023-08-30 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | A versatile approach to high-density microcrystals in lipidic cubic phase for room-temperature serial crystallography.
J.Appl.Crystallogr., 56, 2023
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5ITO
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8D65
 | | ELIC apo in 2:1:1 POPC:POPE:POPG nanodisc | | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, Erwinia ligand-gated ion channel | | Authors: | Petroff II, J.T, Deng, Z, Rau, M.J, Fitzpatrick, J.A.J, Yuan, P, Cheng, W.W.L. | | Deposit date: | 2022-06-06 | | Release date: | 2022-11-23 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.47 Å) | | Cite: | Open-channel structure of a pentameric ligand-gated ion channel reveals a mechanism of leaflet-specific phospholipid modulation.
Nat Commun, 13, 2022
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8QVF
 | | Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. | | Descriptor: | 1-(1-adamantyl)-3-(1-methylsulfonylpiperidin-4-yl)urea, Bifunctional epoxide hydrolase 2 | | Authors: | Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. | | Deposit date: | 2023-10-18 | | Release date: | 2024-08-14 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Exploring serial crystallography for drug discovery.
Iucrj, 11, 2024
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9J5B
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8OSJ
 | | Cryo-EM structure of CLOCK-BMAL1 bound to a nucleosomal E-box at position SHL-6.2 (DNA conformation 1) | | Descriptor: | Basic helix-loop-helix ARNT-like protein 1, Circadian locomoter output cycles protein kaput, DNA (124-MER), ... | | Authors: | Michael, A.K, Stoos, L, Kempf, G, Cavadini, S, Thoma, N.H. | | Deposit date: | 2023-04-19 | | Release date: | 2023-05-24 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (6.2 Å) | | Cite: | Cooperation between bHLH transcription factors and histones for DNA access.
Nature, 619, 2023
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8D66
 | | ELIC with cysteamine in 2:1:1 POPC:POPE:POPG nanodisc | | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, 2-AMINO-ETHANETHIOL, Erwinia ligand-gated ion channel | | Authors: | Petroff II, J.T, Deng, Z, Rau, M.J, Fitzpatrick, J.A.J, Yuan, P, Cheng, W.W.L. | | Deposit date: | 2022-06-06 | | Release date: | 2022-11-23 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | Open-channel structure of a pentameric ligand-gated ion channel reveals a mechanism of leaflet-specific phospholipid modulation.
Nat Commun, 13, 2022
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6MYA
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8YNV
 | | Poly(3-hydroxybutyrate) depolymerase PhaZ from Bacillus thuringiensis | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, poly(3-hydroxybutyrate) depolymerase | | Authors: | Wang, Y.L, Ye, L.C, Chen, S.C, Hsu, C.H. | | Deposit date: | 2024-03-12 | | Release date: | 2024-12-11 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Structural insight into the poly(3-hydroxybutyrate) hydrolysis by intracellular PHB depolymerase from Bacillus thuringiensis.
Int.J.Biol.Macromol., 284, 2024
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8AB5
 | | Structure of E. coli GlpG in complex with peptide derived inhibitor Ac-VRHA-conh-[4-(4-butyl)-phenoxy-1-phenyl-2-butyl] | | Descriptor: | Ac-VRHA-conh-[4-(4-butyl)-phenoxy-1-phenyl-2-butyl], Rhomboid protease GlpG | | Authors: | Skerlova, J, Polovinkin, V, Bach, K, Borshchevskiy, V, Strisovsky, K. | | Deposit date: | 2022-07-04 | | Release date: | 2023-10-25 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Extensive targeting of chemical space at the prime side of ketoamide inhibitors of rhomboid proteases by branched substituents empowers their selectivity and potency.
Eur.J.Med.Chem., 275, 2024
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7A9E
 | | tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with ethyl methyl sulfone | | Descriptor: | 1,2-ETHANEDIOL, 1-methylsulfonylethane, GLYCEROL, ... | | Authors: | Nguyen, D, You, S, Heine, A, Klebe, G. | | Deposit date: | 2020-09-01 | | Release date: | 2021-06-16 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface.
Acs Chem.Biol., 16, 2021
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7KJS
 | | Crystal structure of CDK2/cyclin E in complex with PF-06873600 | | Descriptor: | 6-(difluoromethyl)-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | | Authors: | McTigue, M.A, He, Y, Ferre, R.A. | | Deposit date: | 2020-10-26 | | Release date: | 2021-06-23 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.187 Å) | | Cite: | Discovery of PF-06873600, a CDK2/4/6 Inhibitor for the Treatment of Cancer.
J.Med.Chem., 64, 2021
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8YNW
 | | S102A mutant of poly(3-hydroxybutyrate) depolymerase PhaZ from Bacillus thuringiensis | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Poly(3-hydroxybutyrate) depolymerase | | Authors: | Wang, Y.L, Ye, L.C, Chen, S.C, Hsu, C.H. | | Deposit date: | 2024-03-12 | | Release date: | 2024-12-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural insight into the poly(3-hydroxybutyrate) hydrolysis by intracellular PHB depolymerase from Bacillus thuringiensis.
Int.J.Biol.Macromol., 284, 2024
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9CP2
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7ZJO
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9CP3
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9CP1
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7A8U
 | | Crystal structure of sarcomeric protein FATZ-1 (d91-FATZ-1 construct) in complex with rod domain of alpha-actinin-2 | | Descriptor: | Alpha-actinin-2, Myozenin-1 | | Authors: | Sponga, A, Arolas, J.L, Rodriguez Chamorro, A, Mlynek, G, Hollerl, E, Schreiner, C, Pedron, M, Kostan, J, Ribeiro, E.A, Djinovic-Carugo, K. | | Deposit date: | 2020-08-31 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.802 Å) | | Cite: | Order from disorder in the sarcomere: FATZ forms a fuzzy but tight complex and phase-separated condensates with alpha-actinin.
Sci Adv, 7, 2021
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8WFK
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7A8T
 | | Crystal structure of sarcomeric protein FATZ-1 (mini-FATZ-1 construct) in complex with rod domain of alpha-actinin-2 | | Descriptor: | Alpha-actinin-2, Myozenin-1 | | Authors: | Sponga, A, Arolas, J.L, Rodriguez Chamorro, A, Mlynek, G, Hollerl, E, Schreiner, C, Pedron, M, Kostan, J, Ribeiro, E.A, Djinovic-Carugo, K. | | Deposit date: | 2020-08-31 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Order from disorder in the sarcomere: FATZ forms a fuzzy but tight complex and phase-separated condensates with alpha-actinin.
Sci Adv, 7, 2021
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8WFI
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8DDB
 | | The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 4-(benzyloxy)-6-bromo-3-hydroxypicolinic acid | | Descriptor: | 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid, ACETATE ION, MANGANESE (II) ION, ... | | Authors: | Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M. | | Deposit date: | 2022-06-17 | | Release date: | 2022-12-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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7RAN
 | | 5-HT2AR bound to a novel agonist in complex with a mini-Gq protein and an active-state stabilizing single-chain variable fragment (scFv16) obtained by cryo-electron microscopy (cryoEM) | | Descriptor: | (3R)-3-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,3,6-tetrahydropyridin-1-ium, 5-hydroxytryptamine receptor 2A, G protein subunit q (Gi2-mini-Gq chimera), ... | | Authors: | Barros-Alvarez, X, Kim, K, Panova, O, Roth, B.L, Skiniotis, G. | | Deposit date: | 2021-07-02 | | Release date: | 2022-07-06 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (3.45 Å) | | Cite: | Bespoke library docking for 5-HT 2A receptor agonists with antidepressant activity.
Nature, 610, 2022
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