8A1Q
 
 | | HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor STP0404 (Pirmitegravir) | | Descriptor: | (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, 1,2-ETHANEDIOL, Integrase, ... | | Authors: | Singer, M.R, Pye, V.E, Cook, N.J, Cherepanov, P. | | Deposit date: | 2022-06-01 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | The Drug-Induced Interface That Drives HIV-1 Integrase Hypermultimerization and Loss of Function.
Mbio, 14, 2023
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8A1P
 | | HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor BI-D | | Descriptor: | (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Singer, M.R, Pye, V.E, Cook, N.J, Cherepanov, P. | | Deposit date: | 2022-06-01 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Drug-Induced Interface That Drives HIV-1 Integrase Hypermultimerization and Loss of Function.
Mbio, 14, 2023
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8A1O
 | | Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with acrylamide analogue 8 | | Descriptor: | (E)-3-chloranyl-3-[(2-chlorophenyl)methylsulfonyl]-N-(5-methoxypyridin-2-yl)prop-2-enamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J. | | Deposit date: | 2022-06-01 | | Release date: | 2023-06-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors.
Chem Sci, 14, 2023
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8A1N
 | | Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with fumaryl amide analogue 13 | | Descriptor: | (Z)-N-(4-chlorophenyl)-4-oxidanylidene-but-2-enamide, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | | Authors: | de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J. | | Deposit date: | 2022-06-01 | | Release date: | 2023-06-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors.
Chem Sci, 14, 2023
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8A1M
 | | Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with maleimide analogue 4 | | Descriptor: | 1,2-ETHANEDIOL, 1-(2-fluoranyl-5-methylsulfonyl-phenyl)pyrrolidine-2,5-dione, CHLORIDE ION, ... | | Authors: | de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J. | | Deposit date: | 2022-06-01 | | Release date: | 2023-06-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors.
Chem Sci, 14, 2023
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8A1L
 | | Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with alpha-chloro ketone 2 | | Descriptor: | (phenylmethyl) N-[(3S,4S)-4-methyl-2-oxidanylidene-hexan-3-yl]carbamate, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J. | | Deposit date: | 2022-06-01 | | Release date: | 2023-06-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors.
Chem Sci, 14, 2023
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8A1I
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8A1H
 | | Bacterial 6-4 photolyase from Vibrio cholerase | | Descriptor: | 1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-4 photolyase (FeS-BCP, ... | | Authors: | Essen, L.-O, Emmerich, H.J. | | Deposit date: | 2022-06-01 | | Release date: | 2023-02-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural and Functional Analysis of a Prokaryotic (6-4) Photolyase from the Aquatic Pathogen Vibrio Cholerae † .
Photochem.Photobiol., 99, 2023
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8A1G
 | | Structure of the SNX1-SNX5 complex | | Descriptor: | N-PROPANOL, Sorting nexin-1, Sorting nexin-5 | | Authors: | Lopez-Robles, C, Scaramuzza, S, Astorga-Simon, E.N, Banos-Mateos, S, Vidaurrazaga, A, Rojas, A.L, Castano, D, Hierro, A. | | Deposit date: | 2022-06-01 | | Release date: | 2023-06-14 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Architecture of the ESCPE-1 membrane coat.
Nat.Struct.Mol.Biol., 30, 2023
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8A1B
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8A14
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8A0T
 | | MTH1 in complex with TH012532 | | Descriptor: | 5-(phenylmethyl)pyrimidine-2,4-diol, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ... | | Authors: | Scaletti, E, Stenmark, P. | | Deposit date: | 2022-05-30 | | Release date: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | MTH1 in complex with TH012532
To Be Published
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8A0R
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8A0Q
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8A0P
 | | Crystal structure of poplar glutathione transferase U20 in complex with morin | | Descriptor: | 2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one, CHLORIDE ION, Glutathione transferase | | Authors: | Didierjean, C, Favier, F. | | Deposit date: | 2022-05-30 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.686 Å) | | Cite: | Biochemical and Structural Insights on the Poplar Tau Glutathione Transferase GSTU19 and 20 Paralogs Binding Flavonoids.
Front Mol Biosci, 9, 2022
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8A0O
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8A0L
 | | Tubulin-CW1-complex | | Descriptor: | (3~{S},4~{R},8~{S},10~{S},12~{S},14~{S})-14-[(~{Z},4~{R})-4-(hydroxymethyl)hex-2-en-2-yl]-4,12-dimethoxy-9,9-dimethyl-3,8,10-tris(oxidanyl)-1-oxacyclotetradecan-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Prota, A.E, Diaz, J.F, Steinmetz, M.O, Oliva, M.A. | | Deposit date: | 2022-05-28 | | Release date: | 2022-12-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9981 Å) | | Cite: | Chemical modulation of microtubule structure through the laulimalide/peloruside site.
Structure, 31, 2023
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8A0K
 | | crystal structure of the kinetoplastid kinetochore protein Trypanosoma brucei KKT3 Divergent Polo-Box domain | | Descriptor: | DI(HYDROXYETHYL)ETHER, Protein kinase, putative | | Authors: | Ishii, M, Ludzia, P, Marciano, G, Allen, W, Nerusheva, O.O, Akiyoshi, B. | | Deposit date: | 2022-05-27 | | Release date: | 2022-06-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.92 Å) | | Cite: | Divergent polo boxes in KKT2 bind KKT1 to initiate the kinetochore assembly cascade in Trypanosoma brucei.
Mol.Biol.Cell, 33, 2022
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8A0J
 | | Crystal structure of the kinetoplastid kinetochore protein Trypanosoma congolense KKT2 divergent polo-box domain | | Descriptor: | Uncharacterized protein TCIL3000_11_11110 | | Authors: | Ishii, M, Ludzia, P, Marciano, G, Allen, W, Nerusheva, O, Akiyoshi, B. | | Deposit date: | 2022-05-27 | | Release date: | 2022-06-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Divergent polo boxes in KKT2 bind KKT1 to initiate the kinetochore assembly cascade in Trypanosoma brucei.
Mol.Biol.Cell, 33, 2022
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8A0I
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8A0G
 | | Human deoxyhypusine synthase with trapped transition state | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,3-DIAMINOPROPANE, Deoxyhypusine synthase, ... | | Authors: | Wator, E, Wilk, P, Grudnik, P. | | Deposit date: | 2022-05-27 | | Release date: | 2023-04-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Cryo-EM structure of human eIF5A-DHS complex reveals the molecular basis of hypusination-associated neurodegenerative disorders.
Nat Commun, 14, 2023
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8A0D
 | | Crystal structure of the major guinea pig allergen Cav p 1.0101 part of the lipocalin family | | Descriptor: | Allergen lipocalin Cav p 1 isoform 1 | | Authors: | Herman, R, Charlier, P, Janssen-Weets, B, Hilger, C, Swiontek, K. | | Deposit date: | 2022-05-27 | | Release date: | 2022-08-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.685 Å) | | Cite: | Mammalian derived lipocalin and secretoglobin respiratory allergens strongly bind ligands with potentially immune modulating properties.
Front Allergy, 3, 2022
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8A0C
 | | Capsular polysaccharide synthesis multienzyme in complex with CMP | | Descriptor: | Bcs3, CYTIDINE-5'-MONOPHOSPHATE, GLYCEROL, ... | | Authors: | Cifuente, J.O, Schulze, J, Bethe, A, Di Domenico, V, Litschko, C, Budde, I, Eidenberger, L, Thiesler, H, Ramon-Roth, I, Berger, M, Claus, H, DAngelo, C, Marina, A, Gerardy-Schahn, R, Schubert, M, Guerin, M.E, Fiebig, T. | | Deposit date: | 2022-05-27 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A multi-enzyme machine polymerizes the Haemophilus influenzae type b capsule.
Nat.Chem.Biol., 19, 2023
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8A0B
 | | Inhibitor binding to HDAC2 | | Descriptor: | 1,2-ETHANEDIOL, 1,3-dihydroisoindol-2-yl-[(2R,4S)-4-phenylpyrrolidin-1-ium-2-yl]methanone, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | | Authors: | Cleasby, A, Tisi, D. | | Deposit date: | 2022-05-27 | | Release date: | 2022-09-21 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.746 Å) | | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
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8A09
 | | A hexameric barrel state of a de novo coiled-coil assembly: CC-Type2-(QgLaId)4 | | Descriptor: | A hexameric barrel state of a de novo coiled-coil assembly: CC-Type2-(QgLaId)4, GLYCEROL | | Authors: | Martin, F.J.O, Rhys, G.G, Dawson, W.M, Woolfson, D.N. | | Deposit date: | 2022-05-27 | | Release date: | 2022-06-15 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
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