8C0R
 
 | | Crystal structure of human carbonic anhydrase II in complex with a coumarin derivative. | | Descriptor: | Carbonic anhydrase 2, ZINC ION, bis(fluoranyl)-(4-methyl-2-oxidanylidene-chromen-7-yl)methanesulfonamide | | Authors: | Alterio, V, De Simone, G, Esposito, D. | | Deposit date: | 2022-12-19 | | Release date: | 2023-03-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | A Combined in Silico and Structural Study Opens New Perspectives on Aliphatic Sulfonamides, a Still Poorly Investigated Class of CA Inhibitors.
Biology (Basel), 12, 2023
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7W1E
 | | Crystal structure of Klebsiella pneumoniae K1 capsule-specific polysaccharide lyase in complex with products | | Descriptor: | 2,6-anhydro-4,5-O-[(1R)-1-carboxyethylidene]-3-deoxy-L-threo-hex-2-enonic acid, 3-O-acetyl-6-deoxy-alpha-L-galactopyranose-(1-3)-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Tu, I.F, Huang, K.F, Wu, S.H. | | Deposit date: | 2021-11-19 | | Release date: | 2022-05-18 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Structural and biological insights into Klebsiella pneumoniae surface polysaccharide degradation by a bacteriophage K1 lyase: implications for clinical use.
J.Biomed.Sci., 29, 2022
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7OLI
 | | Crystal structure of Pab-AGOG in complex with 8-oxoguanosine | | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXY-8-OXOGUANOSINE, N-glycosylase/DNA lyase | | Authors: | Coste, F, Goffinont, S, Flament, D, Castaing, B. | | Deposit date: | 2021-05-20 | | Release date: | 2022-06-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural and functional determinants of the archaeal 8-oxoguanine-DNA glycosylase AGOG for DNA damage recognition and processing.
Nucleic Acids Res., 50, 2022
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7OME
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7P9I
 | | Structure of E.coli RlmJ in complex with an RNA conjugate (GAA-SAM) | | Descriptor: | 5'-{[(3S)-3-amino-3-carboxypropyl](3-aminopropyl)amino}-5'-deoxyadenosine, RNA conjugate (GAA-SAM), Ribosomal RNA large subunit methyltransferase J | | Authors: | Meynier, V, Catala, M, Oerum, S, Barraud, P, Tisne, C. | | Deposit date: | 2021-07-27 | | Release date: | 2022-06-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.594 Å) | | Cite: | Synthesis of RNA-cofactor conjugates and structural exploration of RNA recognition by an m6A RNA methyltransferase.
Nucleic Acids Res., 50, 2022
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8C5F
 | | E. coli NfsB-T41Q/N71S/F124T mutant bound to acetate | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, FLAVIN MONONUCLEOTIDE, ... | | Authors: | White, S.A, Hyde, E.I, Day, M.A. | | Deposit date: | 2023-01-07 | | Release date: | 2023-04-19 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure and Dynamics of Three Escherichia coli NfsB Nitro-Reductase Mutants Selected for Enhanced Activity with the Cancer Prodrug CB1954.
Int J Mol Sci, 24, 2023
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8C78
 | | Crystal structure of human BCL6 BTB domain in complex with compound CCT374705 | | Descriptor: | (2~{S})-10-[(3-chloranyl-2-fluoranyl-pyridin-4-yl)amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one, 1,2-ETHANEDIOL, B-cell lymphoma 6 protein, ... | | Authors: | Le Bihan, Y.-V, van Montfort, R.L.M. | | Deposit date: | 2023-01-13 | | Release date: | 2023-04-26 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of an In Vivo Chemical Probe for BCL6 Inhibition by Optimization of Tricyclic Quinolinones.
J.Med.Chem., 66, 2023
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6HVN
 | | CdaA-APO Y187A Mutant | | Descriptor: | CHLORIDE ION, Diadenylate cyclase, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | | Authors: | Heidemann, J.L, Neumann, P, Ficner, R. | | Deposit date: | 2018-10-11 | | Release date: | 2019-06-05 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.234 Å) | | Cite: | Crystal structures of the c-di-AMP-synthesizing enzyme CdaA.
J.Biol.Chem., 294, 2019
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2X8B
 | | Crystal structure of human acetylcholinesterase inhibited by aged tabun and complexed with fasciculin-II | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETHYLCHOLINESTERASE, CHLORIDE ION, ... | | Authors: | Carletti, E, Colletier, J.P, Nachon, F. | | Deposit date: | 2010-03-08 | | Release date: | 2010-04-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structural evidence that human acetylcholinesterase inhibited by tabun ages through O-dealkylation.
J. Med. Chem., 53, 2010
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6WI0
 | | GluN1b-GluN2B NMDA receptor in complex with GluN1 antagonist L689,560, class 2 | | Descriptor: | (2R,4S)-5,7-dichloro-4-[(phenylcarbamoyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Chou, T, Tajima, N, Furukawa, H. | | Deposit date: | 2020-04-08 | | Release date: | 2020-07-15 | | Last modified: | 2020-08-05 | | Method: | ELECTRON MICROSCOPY (4.27 Å) | | Cite: | Structural Basis of Functional Transitions in Mammalian NMDA Receptors.
Cell, 182, 2020
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6HQ8
 | | Bacterial beta-1,3-oligosaccharide phosphorylase from GH149 with laminarihexaose bound at a surface site | | Descriptor: | 1,2-ETHANEDIOL, BICINE, Beta-1,3-oligosaccharide phosphorylase, ... | | Authors: | Kuhaudomlarp, S, Stevenson, C.E.M, Lawson, D.M, Field, R.A. | | Deposit date: | 2018-09-24 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The structure of a GH149 beta-(1 → 3) glucan phosphorylase reveals a new surface oligosaccharide binding site and additional domains that are absent in the disaccharide-specific GH94 glucose-beta-(1 → 3)-glucose (laminaribiose) phosphorylase.
Proteins, 87, 2019
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7P9O
 | | Structure of E.coli RlmJ in complex with a SAM analogue (CA) | | Descriptor: | 5'-{[(3S)-3-amino-3-carboxypropyl]amino}-5'-deoxyadenosine, Ribosomal RNA large subunit methyltransferase J | | Authors: | Meynier, V, Catala, M, Oerum, S, Barraud, P, Tisne, C. | | Deposit date: | 2021-07-27 | | Release date: | 2022-05-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.095 Å) | | Cite: | Synthesis of RNA-cofactor conjugates and structural exploration of RNA recognition by an m6A RNA methyltransferase.
Nucleic Acids Res., 50, 2022
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6WHT
 | | GluN1b-GluN2B NMDA receptor in active conformation at 4.4 angstrom resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ... | | Authors: | Chou, T, Tajima, N, Furukawa, H. | | Deposit date: | 2020-04-08 | | Release date: | 2020-08-05 | | Method: | ELECTRON MICROSCOPY (4.39 Å) | | Cite: | Structural Basis of Functional Transitions in Mammalian NMDA Receptors.
Cell, 182, 2020
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4RZT
 | | Lac repressor engineered to bind sucralose, sucralose-bound tetramer | | Descriptor: | 4-chloro-4-deoxy-alpha-D-galactopyranose-(1-2)-1,6-dichloro-1,6-dideoxy-beta-D-fructofuranose, Lac repressor | | Authors: | Arbing, M.A, Cascio, D, Sawaya, M.R, Kosuri, S, Church, G.M. | | Deposit date: | 2014-12-24 | | Release date: | 2015-12-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Engineering an allosteric transcription factor to respond to new ligands.
Nat.Methods, 13, 2016
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6XJU
 | | Crystal Structure of KPT-8602 bound to CRM1 (E582K, 537-DLTVK-541 to GLCEQ) | | Descriptor: | (2R)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-2-(pyrimidin-5-yl)propanamide, Exportin-1, GTP-binding nuclear protein Ran, ... | | Authors: | Baumhardt, J.M, Chook, Y.M. | | Deposit date: | 2020-06-24 | | Release date: | 2021-01-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.193 Å) | | Cite: | Recurrent XPO1 mutations alter pathogenesis of chronic lymphocytic leukemia.
J Hematol Oncol, 14, 2021
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6I5R
 | | BlMnBP1 binding protein of an ABC transporter from Bifidobacterium animalis subsp. lactis ATCC27673 in complex with mannobiose | | Descriptor: | Sugar ABC transporter substrate-binding protein, BlMnBP1, ZINC ION, ... | | Authors: | Abou Hachem, M, Ejby, M, Guskov, A, Slotboom, D.J. | | Deposit date: | 2018-11-14 | | Release date: | 2019-04-17 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Two binding proteins of the ABC transporter that confers growth of Bifidobacterium animalis subsp. lactis ATCC27673 on beta-mannan possess distinct manno-oligosaccharide-binding profiles.
Mol.Microbiol., 112, 2019
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7NYD
 | | cryoEM structure of 2C9-sMAC | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Menny, A, Couves, E.C, Bubeck, D. | | Deposit date: | 2021-03-22 | | Release date: | 2021-10-06 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.27 Å) | | Cite: | Structural basis of soluble membrane attack complex packaging for clearance.
Nat Commun, 12, 2021
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5YKN
 | | crystal structure of Arabidopsis thaliana JMJ14 catalytic domain | | Descriptor: | NICKEL (II) ION, Probable lysine-specific demethylase JMJ14, ZINC ION | | Authors: | Yang, Z, Du, J. | | Deposit date: | 2017-10-15 | | Release date: | 2017-12-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the Arabidopsis JMJ14-H3K4me3 Complex Provides Insight into the Substrate Specificity of KDM5 Subfamily Histone Demethylases.
Plant Cell, 30, 2018
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8AH5
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8AKK
 | | Acyl-enzyme complex of imipenem bound to deacylation mutant KPC-2 (E166Q) | | Descriptor: | (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ... | | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | | Deposit date: | 2022-07-29 | | Release date: | 2023-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase.
J.Am.Chem.Soc., 145, 2023
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3KJM
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8AKL
 | | Acyl-enzyme complex of meropenem bound to deacylation mutant KPC-2 (E166Q) | | Descriptor: | (2S,3R,4R)-4-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-3-methyl-2-[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ... | | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | | Deposit date: | 2022-07-29 | | Release date: | 2023-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase.
J.Am.Chem.Soc., 145, 2023
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8AH6
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7Q34
 | | Crystal structure of the multidrug binding transcriptional regulator LmrR in complex squaraine dye | | Descriptor: | 2,4-bis[(E)-(1-ethyl-3,3-dimethyl-indol-2-ylidene)methyl]cyclobutane-1,3-dione, Helix-turn-helix transcriptional regulator, NICKEL (II) ION | | Authors: | Liutkus, M, Mejias, S.H, Barolo, C, Cortajarena, A.L. | | Deposit date: | 2021-10-26 | | Release date: | 2022-06-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Designing Artificial Fluorescent Proteins: Squaraine-LmrR Biophosphors for High Performance Deep-Red Biohybrid Light-Emitting Diodes
Adv Funct Mater, 32, 2022
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8AH7
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