8XS5
 
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9B3W
 | | Rat TRPV2 E724A/D725A Apo | | Descriptor: | 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Transient receptor potential cation channel subfamily V member 2 | | Authors: | Pumroy, R.A, Rocereta, J.A, Moiseenkova-Bell, V.Y. | | Deposit date: | 2024-03-20 | | Release date: | 2025-02-26 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Structural insights into TRPV2 modulation by probenecid.
Nat.Struct.Mol.Biol., 32, 2025
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9B3V
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9B3U
 | | Rat TRPV2 WT bound to probenecid | | Descriptor: | 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 4-(dipropylsulfamoyl)benzoic acid, Transient receptor potential cation channel subfamily V member 2 | | Authors: | Rocereta, J.A, Pumroy, R.A, Moiseenkova-Bell, V.Y. | | Deposit date: | 2024-03-20 | | Release date: | 2025-02-26 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Structural insights into TRPV2 modulation by probenecid.
Nat.Struct.Mol.Biol., 32, 2025
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8DYQ
 | | Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with Acetazolamide | | Descriptor: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase, SULFATE ION, ... | | Authors: | Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R. | | Deposit date: | 2022-08-04 | | Release date: | 2022-12-14 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural Characterization of Thiadiazolesulfonamide Inhibitors Bound to Neisseria gonorrhoeae alpha-Carbonic Anhydrase.
Acs Med.Chem.Lett., 14, 2023
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8OMJ
 | | hKHK-C in complex with compound 28 | | Descriptor: | Ketohexokinase, SULFATE ION, [3-[[6-[(3~{a}~{R},6~{a}~{S})-2,3,3~{a},4,6,6~{a}-hexahydro-1~{H}-pyrrolo[3,4-c]pyrrol-5-yl]-3-cyano-4-(trifluoromethyl)pyridin-2-yl]amino]-4-methylsulfanyl-phenyl]methoxy-methyl-phosphinic acid | | Authors: | Pautsch, A, Ebenhoch, R. | | Deposit date: | 2023-03-31 | | Release date: | 2024-07-10 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.978 Å) | | Cite: | Discovery of BI-9787, a potent zwitterionic ketohexokinase inhibitor with oral bioavailability.
Bioorg.Med.Chem.Lett., 112, 2024
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6W4V
 | | Structure of anti-ferroportin Fab45D8 | | Descriptor: | 1,2-ETHANEDIOL, Fab45D8 Heavy Chain, Fab45D8 Light Chain | | Authors: | Billesboelle, C.B, Azumaya, C.M, Gonen, S, Powers, A, Kretsch, R.C, Schneider, S, Arvedson, T, Dror, R.O, Cheng, Y, Manglik, A. | | Deposit date: | 2020-03-11 | | Release date: | 2020-09-09 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of hepcidin-bound ferroportin reveals iron homeostatic mechanisms.
Nature, 586, 2020
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6YYP
 | | Structure of Cathepsin S in complex with Compound 2 | | Descriptor: | 1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-amine, ACETATE ION, Cathepsin S, ... | | Authors: | Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q. | | Deposit date: | 2020-05-05 | | Release date: | 2021-05-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors.
J.Med.Chem., 63, 2020
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7SKM
 | | Complex between S. aureus aureolysin and wt IMPI. | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Mendes, S.R, Eckhard, U, Rodriguez-Banqueri, A, Guevara, T, Gomis-Ruth, F.X. | | Deposit date: | 2021-10-21 | | Release date: | 2022-01-26 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | An engineered protein-based submicromolar competitive inhibitor of the Staphylococcus aureus virulence factor aureolysin
Comput Struct Biotechnol J, 20, 2022
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6XG1
 | | Class C beta-lactamase from Escherichia coli | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase | | Authors: | Chang, C, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-06-16 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Class C beta-lactamase from Escherichia coli
To Be Published
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6XEB
 | | STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH KETONE INHIBITOR (COMPOUND E) | | Descriptor: | 5-{(1S)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1H-imidazole-4-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Klein, D.J, Clausen, D. | | Deposit date: | 2020-06-12 | | Release date: | 2020-08-12 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Development of a selective HDAC inhibitor aimed at reactivating the HIV latent reservoir.
Bioorg.Med.Chem.Lett., 30, 2020
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7SKL
 | | Complex between S. aureus aureolysin and IMPI mutant I57I | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, IMPI alpha, ... | | Authors: | Mendes, S.R, Eckhard, U, Rodriguez-Banqueri, A, Guevara, T, Gomis-Ruth, F.X. | | Deposit date: | 2021-10-21 | | Release date: | 2022-01-26 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | An engineered protein-based submicromolar competitive inhibitor of the Staphylococcus aureus virulence factor aureolysin
Comput Struct Biotechnol J, 20, 2022
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7NCM
 | | Glutathione-S-transferase GliG mutant E82A | | Descriptor: | 1,2-ETHANEDIOL, Glutathione S-transferase GliG | | Authors: | Groll, M, Huber, E.M. | | Deposit date: | 2021-01-29 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6R4U
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7S5R
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8QVP
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8ZTY
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7NVQ
 | | Aerosol-soaked human cdk2 crystals with Staurosporine | | Descriptor: | 1,2-ETHANEDIOL, Cyclin-dependent kinase 2, STAUROSPORINE | | Authors: | Ross, B, Huber, R. | | Deposit date: | 2021-03-15 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Aerosol-based ligand soaking of reservoir-free protein crystals.
J.Appl.Crystallogr., 54, 2021
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8Q1Z
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9H7V
 | | The baseplate assembly of Haloferax tailed virus 1. | | Descriptor: | Baseplate hub, Baseplate to tube adapter protein gp41, MAGNESIUM ION, ... | | Authors: | Zhang, D, Daum, B, Isupov, M.N, McLaren, M. | | Deposit date: | 2024-10-28 | | Release date: | 2025-08-27 | | Last modified: | 2025-10-22 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Cryo-EM resolves the structure of the archaeal dsDNA virus HFTV1 from head to tail.
Sci Adv, 11, 2025
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9GS0
 | | Capsid of full Haloferax tailed virus 1 without turret head protein gp31. | | Descriptor: | Capsid stabilization protein, Gp30, HK97 gp5-like major capsid protein, ... | | Authors: | Zhang, D, Daum, B, Isupov, M.N, McLaren, M, Stuart, W. | | Deposit date: | 2024-09-13 | | Release date: | 2025-08-27 | | Last modified: | 2025-10-22 | | Method: | ELECTRON MICROSCOPY (2.37 Å) | | Cite: | Cryo-EM resolves the structure of the archaeal dsDNA virus HFTV1 from head to tail.
Sci Adv, 11, 2025
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9H4P
 | | Tail of full Haloferax tailed virus 1 | | Descriptor: | Baseplate hub, Baseplate to tube adapter protein gp41, HK97 gp6-like/SPP1 gp15-like head-tail connector, ... | | Authors: | Zhang, D, Daum, B, Isupov, M.N, McLaren, M. | | Deposit date: | 2024-10-21 | | Release date: | 2025-08-27 | | Last modified: | 2025-10-22 | | Method: | ELECTRON MICROSCOPY (2.44 Å) | | Cite: | Cryo-EM resolves the structure of the archaeal dsDNA virus HFTV1 from head to tail.
Sci Adv, 11, 2025
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9HTC
 | | McCP in complex with photocaged nitric oxide, 1.44 s, 1600 microjoule, SSX | | Descriptor: | Cytochrome c, GLYCEROL, HEME C, ... | | Authors: | Smyth, P, Williams, L.J, Hough, M.A, Worrall, J.A.R, Owen, R.L. | | Deposit date: | 2024-12-19 | | Release date: | 2025-09-03 | | Last modified: | 2025-09-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Time-resolved serial synchrotron and serial femtosecond crystallography of heme proteins using photocaged nitric oxide.
Iucrj, 12, 2025
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6QV5
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6OFY
 | | Crystal Structure of Arachidonic Acid bound to V349I murine COX-2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACRYLIC ACID, ARACHIDONIC ACID, ... | | Authors: | Malkowski, M.G. | | Deposit date: | 2019-04-01 | | Release date: | 2020-02-05 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Arg-513 and Leu-531 Are Key Residues Governing Time-Dependent Inhibition of Cyclooxygenase-2 by Aspirin and Celebrex.
Biochemistry, 58, 2019
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