7VKQ
 
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8I0A
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8JJB
 | | Crystal structure of T2R-TTL-Y61 complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Yang, J. | | Deposit date: | 2023-05-30 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Structure-based design and synthesis of BML284 derivatives: A novel class of colchicine-site noncovalent tubulin degradation agents.
Eur.J.Med.Chem., 268, 2024
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8JJC
 | | Tubulin-Y62 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-amine, CALCIUM ION, ... | | Authors: | Yang, J. | | Deposit date: | 2023-05-30 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Structure-based design and synthesis of BML284 derivatives: A novel class of colchicine-site noncovalent tubulin degradation agents.
Eur.J.Med.Chem., 268, 2024
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7D99
 | | human potassium-chloride co-transporter KCC4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, POTASSIUM ION, ... | | Authors: | Xie, Y, Chang, S, Zhao, C, Ye, S, Guo, J. | | Deposit date: | 2020-10-12 | | Release date: | 2020-12-30 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structures and an activation mechanism of human potassium-chloride cotransporters.
Sci Adv, 6, 2020
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2OP1
 | | Crystal structure of plasmodium falciparum enoyl ACP reductase with triclosan reductase | | Descriptor: | 2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-2-YLMETHYL)PHENOL, Enoyl-acyl carrier reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Tsai, H. | | Deposit date: | 2007-01-26 | | Release date: | 2007-07-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | X-ray structural analysis of Plasmodium falciparum enoyl acyl carrier protein reductase as a pathway toward the optimization of triclosan antimalarial efficacy
J.Biol.Chem., 282, 2007
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2OOS
 | | Crystal structure of plasmodium falciparum enoyl ACP reductase with triclosan reductase | | Descriptor: | 2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOL, Enoyl-acyl carrier reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Tsai, H. | | Deposit date: | 2007-01-26 | | Release date: | 2007-07-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | X-ray structural analysis of Plasmodium falciparum enoyl acyl carrier protein reductase as a pathway toward the optimization of triclosan antimalarial efficacy
J.Biol.Chem., 282, 2007
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7DF1
 | | Crystal structure of human CD98 heavy chain extracellular domain in complex with S1-F4 scFv | | Descriptor: | 4F2 cell-surface antigen heavy chain, IGL c2062_light_IGKV4-1_IGKJ5, S1-F4 VH | | Authors: | Liu, X, Ding, J, Sui, J, Tian, X. | | Deposit date: | 2020-11-06 | | Release date: | 2022-12-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.806 Å) | | Cite: | An anti-CD98 antibody displaying pH-dependent Fc-mediated tumour-specific activity against multiple cancers in CD98-humanized mice.
Nat Biomed Eng, 2022
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2OP0
 | | Crystal structure of plasmodium falciparum enoyl ACP reductase with triclosan reductase | | Descriptor: | 2-[4-(AMINOMETHYL)-2-CHLOROPHENOXY]-5-PYRIDIN-2-YLPHENOL, Enoyl-acyl carrier reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Tsai, H. | | Deposit date: | 2007-01-26 | | Release date: | 2007-07-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | X-ray structural analysis of Plasmodium falciparum enoyl acyl carrier protein reductase as a pathway toward the optimization of triclosan antimalarial efficacy
J.Biol.Chem., 282, 2007
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2OL4
 | | Crystal structure of plasmodium falciparum enoyl ACP reductase with triclosan reductase | | Descriptor: | 2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOL, Enoyl-acyl carrier reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Tsai, H. | | Deposit date: | 2007-01-18 | | Release date: | 2007-07-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | X-ray structural analysis of Plasmodium falciparum enoyl acyl carrier protein reductase as a pathway toward the optimization of triclosan antimalarial efficacy
J.Biol.Chem., 282, 2007
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7D8Z
 | | human potassium-chloride co-transporter KCC2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, potassium-chloride cotransporter 2 | | Authors: | Xie, Y, Chang, S, Zhao, C, Ye, S, Guo, J. | | Deposit date: | 2020-10-11 | | Release date: | 2020-12-30 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structures and an activation mechanism of human potassium-chloride cotransporters.
Sci Adv, 6, 2020
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7D90
 | | human potassium-chloride co-transporter KCC3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, potassium-chloride cotransporter 3 | | Authors: | Xie, Y, Chang, S, Zhao, C, Ye, S, Guo, J. | | Deposit date: | 2020-10-12 | | Release date: | 2020-12-30 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structures and an activation mechanism of human potassium-chloride cotransporters.
Sci Adv, 6, 2020
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2NQ8
 | | Malarial enoyl acyl ACP reductase bound with INH-NAD adduct | | Descriptor: | Enoyl-acyl carrier reductase, ISONICOTINIC-ACETYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE | | Authors: | Freundlich, J.S, Yu, M, Lucumi, E, Kuo, M, Tsai, H.C, Valderramos, J.C, Karagyozov, L, Jacobs Jr, W.R, Schiehser, G.A, Fidock, D.A, Jacobus, D.P, Sacchettini, J.C. | | Deposit date: | 2006-10-30 | | Release date: | 2007-07-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | X-ray structural analysis of Plasmodium falciparum enoyl acyl carrier protein reductase as a pathway toward the optimization of triclosan antimalarial efficacy
J.Biol.Chem., 282, 2007
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2LUZ
 | | Solution NMR Structure of CalU16 from Micromonospora echinospora, Northeast Structural Genomics Consortium (NESG) Target MiR12 | | Descriptor: | CalU16 | | Authors: | Ramelot, T.A, Yang, Y, Lee, H, Pederson, K, Lee, D, Kohan, E, Janjua, H, Xiao, R, Acton, T.B, Everett, J.K, Wrobel, R.L, Bingman, C.A, Singh, S, Thorson, J.S, Prestegard, J.H, Montelione, G.T, Phillips Jr, G.N, Kennedy, M.A, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2012-06-22 | | Release date: | 2012-10-03 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure-Guided Functional Characterization of Enediyne Self-Sacrifice Resistance Proteins, CalU16 and CalU19.
Acs Chem.Biol., 9, 2014
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6HER
 | | Mouse prion protein in complex with Nanobody 484 | | Descriptor: | GLYCEROL, Major prion protein, Nanobody 484, ... | | Authors: | Soror, S.H, Abskharon, R, Wohlkonig, A. | | Deposit date: | 2018-08-20 | | Release date: | 2019-12-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.199 Å) | | Cite: | Structural evidence for the critical role of the prion protein hydrophobic region in forming an infectious prion.
Plos Pathog., 15, 2019
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6JLQ
 | | Crystal structure of human USP46-WDR48-WDR20 complex | | Descriptor: | GLYCEROL, PHOSPHATE ION, Ubiquitin carboxyl-terminal hydrolase 46, ... | | Authors: | Zhu, H, Zhang, T, Ding, J. | | Deposit date: | 2019-03-06 | | Release date: | 2019-07-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.101 Å) | | Cite: | Structural insights into the activation of USP46 by WDR48 and WDR20.
Cell Discov, 5, 2019
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6HEQ
 | | Prion nanobody 484 | | Descriptor: | Prion nanobody 484 | | Authors: | Soror, S.H, Abskharon, R.N, Wohlkonig, A. | | Deposit date: | 2018-08-20 | | Release date: | 2019-12-04 | | Last modified: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | Structural evidence for the critical role of the prion protein hydrophobic region in forming an infectious prion.
Plos Pathog., 15, 2019
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6HHD
 | | Mouse Prion Protein in complex with Nanobody 484 | | Descriptor: | CHLORIDE ION, GLYCEROL, Major prion protein, ... | | Authors: | Soror, S, Abskharon, R, Wohlkonig, A. | | Deposit date: | 2018-08-28 | | Release date: | 2019-12-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.102 Å) | | Cite: | Structural evidence for the critical role of the prion protein hydrophobic region in forming an infectious prion.
Plos Pathog., 15, 2019
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6KKU
 | | human KCC1 structure determined in NaCl and GDN | | Descriptor: | 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Liu, S, Chang, S, Ye, S, Bai, X, Guo, J. | | Deposit date: | 2019-07-27 | | Release date: | 2019-10-23 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-EM structures of the human cation-chloride cotransporter KCC1.
Science, 366, 2019
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6KKT
 | | human KCC1 structure determined in KCl and lipid nanodisc | | Descriptor: | 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Liu, S, Chang, S, Ye, S, Bai, X, Guo, J. | | Deposit date: | 2019-07-27 | | Release date: | 2019-10-23 | | Last modified: | 2020-08-12 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Cryo-EM structures of the human cation-chloride cotransporter KCC1.
Science, 366, 2019
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6JBS
 | | Bifunctional xylosidase/glucosidase LXYL | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gong, W.M, Yang, L.Y. | | Deposit date: | 2019-01-26 | | Release date: | 2020-02-12 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structures of beta-glycosidase LXYL-P1-2 reveals the product binding state of GH3 family and a specific pocket for Taxol recognition.
Commun Biol, 3, 2020
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6KKR
 | | human KCC1 structure determined in KCl and detergent GDN | | Descriptor: | 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Liu, S, Chang, S, Ye, S, Bai, X, Guo, J. | | Deposit date: | 2019-07-27 | | Release date: | 2019-10-23 | | Last modified: | 2020-08-12 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Cryo-EM structures of the human cation-chloride cotransporter KCC1.
Science, 366, 2019
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6KJ0
 | | Bifunctional xylosidase/glucosidase LXYL mutant E529Q C2221 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-D-xylosidase/beta-D-glucosidase, Deacetyltaxol, ... | | Authors: | Gong, W.M, Yang, L.Y. | | Deposit date: | 2019-07-20 | | Release date: | 2020-02-26 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Structures of beta-glycosidase LXYL-P1-2 reveals the product binding state of GH3 family and a specific pocket for Taxol recognition.
Commun Biol, 3, 2020
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7KHY
 | | Crystal structure of OXA-163 K73A in complex with meropenem | | Descriptor: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ... | | Authors: | Palzkill, T, Hu, L, Sankaran, B, Prasad, B.V.V. | | Deposit date: | 2020-10-22 | | Release date: | 2021-02-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Mechanistic Basis of OXA-48-like beta-Lactamases' Hydrolysis of Carbapenems.
Acs Infect Dis., 7, 2021
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7KH9
 | | Crystal structure of OXA-48 K73A in complex with imipenem | | Descriptor: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Beta-lactamase, CHLORIDE ION | | Authors: | Palzkill, T, Hu, L, Sankaran, B, Prasad, B.V.V. | | Deposit date: | 2020-10-20 | | Release date: | 2021-02-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Mechanistic Basis of OXA-48-like beta-Lactamases' Hydrolysis of Carbapenems.
Acs Infect Dis., 7, 2021
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