6NRG
| Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT57 | Descriptor: | 2-{[3-fluoro-4-(1H-tetrazol-5-yl)phenyl]methyl}-3-hydroxy-1-benzofuran-7-carboxamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 1, ... | Authors: | Langelier, M.F, Pascal, J.M. | Deposit date: | 2019-01-23 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity. J.Med.Chem., 62, 2019
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4X3R
| Avi-GCPII structure in complex with FITC-conjugated GCPII-specific inhibitor | 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: | Tykvart, J, Konvalinka, J. | Deposit date: | 2014-12-01 | Release date: | 2015-10-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Design of highly potent urea-based, exosite-binding inhibitors selective for glutamate carboxypeptidase II. J.Med.Chem., 58, 2015
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7P2I
| Dimethylated fusion protein of RSL and nucleoporin peptide (Nup) in complex with cucurbit[7]uril, F432 cage assembly | Descriptor: | Fucose-binding lectin protein, cucurbit[7]uril, methyl alpha-L-fucopyranoside | Authors: | Guagnini, F, Ramberg, K, Crowley, P.B. | Deposit date: | 2021-07-06 | Release date: | 2021-09-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.489 Å) | Cite: | Segregated Protein-Cucurbit[7]uril Crystalline Architectures via Modulatory Peptide Tectons. Chemistry, 27, 2021
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7P2J
| Dimethylated fusion protein of RSL and trimeric coiled coil (4dzn) in complex with cucurbit[7]uril, H3 sheet assembly | Descriptor: | Fucose-binding lectin protein, SODIUM ION, beta-D-mannopyranose, ... | Authors: | Ramberg, K, Engilberge, S, Crowley, P.B. | Deposit date: | 2021-07-06 | Release date: | 2021-09-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Segregated Protein-Cucurbit[7]uril Crystalline Architectures via Modulatory Peptide Tectons. Chemistry, 27, 2021
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6NQI
| Prp8 RH domain from C. merolae | Descriptor: | BETA-MERCAPTOETHANOL, Pre-mRNA splicing factor PRP8 | Authors: | Garside, E.L, MacMillan, A.M. | Deposit date: | 2019-01-21 | Release date: | 2019-05-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Prp8 in a Reduced Spliceosome Lacks a Conserved Toggle that Correlates with Splicing Complexity across Diverse Taxa. J.Mol.Biol., 431, 2019
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6NOW
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6NRF
| Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT103 | Descriptor: | 2-({4-[4-(1H-benzimidazol-2-yl)piperazine-1-carbonyl]phenyl}methyl)-3-hydroxy-1-benzofuran-7-carboxamide, CHLORIDE ION, CITRIC ACID, ... | Authors: | Langelier, M.F, Pascal, J.M. | Deposit date: | 2019-01-23 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity. J.Med.Chem., 62, 2019
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6NWB
| PYL10 bound to the selective agonist hexabactin | Descriptor: | Abscisic acid receptor PYL10, N-{[(4-cyanophenyl)methyl]sulfonyl}-1-(thiophen-3-yl)cyclohexane-1-carboxamide | Authors: | Peterson, F.C, Vaidya, A, Jensen, D.R, Volkman, B.F, Cutler, S.R. | Deposit date: | 2019-02-06 | Release date: | 2020-02-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | PYL10 bound to the selective agonist hexabactin To Be Published
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7P1Q
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7P1D
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6NWC
| PYL10 bound to the ABA pan-agonist 3CB | Descriptor: | 1-{[(4-cyano-3-cyclopropylphenyl)acetyl]amino}cyclohexane-1-carboxylic acid, Abscisic acid receptor PYL10 | Authors: | Peterson, F.C, Vaidya, A, Jensen, D.R, Volkman, B.F, Cutler, S.R. | Deposit date: | 2019-02-06 | Release date: | 2019-11-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Dynamic control of plant water use using designed ABA receptor agonists. Science, 366, 2019
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6O1I
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7OP7
| Bacteroides thetaiotaomicron mannosidase GH2 with beta-manno-configured N-alkyl cyclophellitol aziridine | Descriptor: | (1R,2S,3R,4S,5R,6R)-5-(8-azidooctylamino)-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, BROMIDE ION, ... | Authors: | McGregor, N.G.S, Beenakker, T.J.M, Kuo, C, Wong, C, Offen, W.A, Armstrong, Z, Codee, J.D.C, Aerts, J.M.F.G, Florea, B.I, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2021-05-29 | Release date: | 2022-02-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Synthesis of broad-specificity activity-based probes for exo -beta-mannosidases. Org.Biomol.Chem., 20, 2022
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4TXL
| Crystal structure of uridine phosphorylase from Schistosoma mansoni in complex with uracil | Descriptor: | SULFATE ION, URACIL, Uridine phosphorylase | Authors: | Marinho, A, Torini, J, Romanello, L, Cassago, A, DeMarco, R, Brandao-Neto, J, Pereira, H.M. | Deposit date: | 2014-07-03 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Analysis of two Schistosoma mansoni uridine phosphorylases isoforms suggests the emergence of a protein with a non-canonical function. Biochimie, 125, 2016
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7OM4
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8PS0
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7OZX
| Structure of human galactokinase 1 bound with azepan-1-yl(2,6-difluorophenyl)methanone | Descriptor: | (azepan-1-yl)(2,6-difluorophenyl)methanone, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ... | Authors: | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | Deposit date: | 2021-06-29 | Release date: | 2022-05-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of human galactokinase 1 bound with azepan-1-yl(2,6-difluorophenyl)methanone To Be Published
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4TXM
| Crystal structure of uridine phosphorylase from Schistosoma mansoni in complex with thymine | Descriptor: | SULFATE ION, THYMINE, Uridine phosphorylase | Authors: | Marinho, A, Torini, J, Romanello, L, Cassago, A, DeMarco, R, Brandao-Neto, J, Pereira, H.M. | Deposit date: | 2014-07-03 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Analysis of two Schistosoma mansoni uridine phosphorylases isoforms suggests the emergence of a protein with a non-canonical function. Biochimie, 125, 2016
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7OMO
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6O9B
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6OOX
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7OYL
| Phosphoglucose isomerase of Aspergillus fumigatus in complexed with Glucose-6-phosphate | Descriptor: | 6-O-phosphono-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ... | Authors: | Raimi, O.G, Yan, K, Fang, W, van Aalten, D.M.F. | Deposit date: | 2021-06-24 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Phosphoglucose Isomerase Is Important for Aspergillus fumigatus Cell Wall Biogenesis. Mbio, 13, 2022
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6OBE
| Ricin A chain bound to VHH antibody V6H8 | Descriptor: | 1,2-ETHANEDIOL, IMIDAZOLE, NICKEL (II) ION, ... | Authors: | Rudolph, M.J. | Deposit date: | 2019-03-20 | Release date: | 2020-04-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.732 Å) | Cite: | Intracellular Neutralization of Ricin Toxin by Single-domain Antibodies Targeting the Active Site. J.Mol.Biol., 432, 2020
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7P0K
| Crystal structure of Autotaxin (ENPP2) with 18F-labeled positron emission tomography ligand | Descriptor: | 2-[[2-ethyl-6-[4-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-2,3-dihydro-1,3-thiazole-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Salgado-Polo, F, Shao, T, Xiao, Z, Van, R, Chen, J, Rong, J, Haider, A, Shao, Y, Josephson, L, Perrakis, A, Liang, S.H. | Deposit date: | 2021-06-29 | Release date: | 2022-07-13 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Imaging Autotaxin In Vivo with 18 F-Labeled Positron Emission Tomography Ligands J Med Chem, 64, 2021
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4TXN
| Crystal structure of uridine phosphorylase from Schistosoma mansoni in complex with 5-fluorouracil | Descriptor: | 5-FLUOROURACIL, SULFATE ION, Uridine phosphorylase | Authors: | Marinho, A, Torini, J, Romanello, L, Cassago, A, DeMarco, R, Brandao-Neto, J, Pereira, H.M. | Deposit date: | 2014-07-03 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Analysis of two Schistosoma mansoni uridine phosphorylases isoforms suggests the emergence of a protein with a non-canonical function. Biochimie, 125, 2016
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