7SGJ
 
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7SNJ
 | | Structure of Bacple_01701, a 6-O-galactose porphyran sulfatase | | Descriptor: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Arylsulfatase, ... | | Authors: | Ulaganathan, T, Cygler, M. | | Deposit date: | 2021-10-28 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | The porphyran degradation system of the human gut microbiota is complete, phylogenetically diverse and geographically structured across Asian populations
Biorxiv, 2023
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8VH9
 | | Crystal Structure of Human IDH1 R132Q in complex with NADPH | | Descriptor: | CITRIC ACID, GLYCEROL, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | | Authors: | Mealka, M, Sohl, C.D, Huxford, T. | | Deposit date: | 2023-12-31 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Active site remodeling in tumor-relevant IDH1 mutants drives distinct kinetic features and potential resistance mechanisms.
Nat Commun, 15, 2024
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1AXL
 | | SOLUTION CONFORMATION OF THE (-)-TRANS-ANTI-[BP]DG ADDUCT OPPOSITE A DELETION SITE IN DNA DUPLEX D(CCATC-[BP]G-CTACC)D(GGTAG--GATGG), NMR, 6 STRUCTURES | | Descriptor: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, DNA DUPLEX D(CCATC-[BP]G-CTACC)D(GGTAG--GATGG) | | Authors: | Feng, B, Gorin, A.A, Kolbanovskiy, A, Hingerty, B.E, Geacintov, N.E, Broyde, S, Patel, D.J. | | Deposit date: | 1997-10-16 | | Release date: | 1998-07-01 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution conformation of the (-)-trans-anti-[BP]dG adduct opposite a deletion site in a DNA duplex: intercalation of the covalently attached benzo[a]pyrene into the helix with base displacement of the modified deoxyguanosine into the minor groove.
Biochemistry, 36, 1997
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8ORX
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7NEX
 | | Crystal structure of alpha Carbonic anhydrase from Schistosoma mansoni bound to 1-(4-fluorophenyl)-3-(4-sulfamoylph enyl)thiourea | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-{[(4-fluorophenyl)carbamothioyl]amino}benzene-1-sulfonamide, ... | | Authors: | Ferraroni, M, Angeli, A, Supuran, C.T. | | Deposit date: | 2021-02-05 | | Release date: | 2022-03-02 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
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8E00
 | | Symmetry expansion of yeast cytoplasmic dynein-1 bound to Lis1 in the chi conformation. | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Dynein heavy chain, ... | | Authors: | Reimer, J.M, Lahiri, I, Leschziner, A.E. | | Deposit date: | 2022-08-08 | | Release date: | 2023-08-30 | | Last modified: | 2025-06-04 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Lis1 relieves cytoplasmic dynein-1 autoinhibition by acting as a molecular wedge.
Nat.Struct.Mol.Biol., 30, 2023
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9BOI
 | | Cryo-EM structure of human Spns1 in complex with LPC (18:1) | | Descriptor: | (4R,7R,18Z)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide, mVenus,Maltose/maltodextrin-binding periplasmic protein,Protein spinster homolog 1,Designed ankyrin repeat protein (DARPin) | | Authors: | Chen, H, Li, X. | | Deposit date: | 2024-05-03 | | Release date: | 2025-01-01 | | Last modified: | 2025-01-22 | | Method: | ELECTRON MICROSCOPY (3.22 Å) | | Cite: | Molecular basis of Spns1-mediated lysophospholipid transport from the lysosome.
Proc.Natl.Acad.Sci.USA, 122, 2025
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7STO
 | | Chitin Synthase 2 from Candida albicans bound to polyoxin D | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-{(2R,3R,4S,5R)-5-[(S)-{[(2S,3S,4S)-2-amino-5-(carbamoyloxy)-3,4-dihydroxypentanoyl]amino}(carboxy)methyl]-3,4-dihydroxyoxolan-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid (non-preferred name), Chitin synthase | | Authors: | Ren, Z, Chhetri, A, Lee, S, Yokoyama, K. | | Deposit date: | 2021-11-14 | | Release date: | 2022-07-13 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (3.15 Å) | | Cite: | Structural basis for inhibition and regulation of a chitin synthase from Candida albicans.
Nat.Struct.Mol.Biol., 29, 2022
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8E5H
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5VQJ
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6ZFU
 | | Crystal structure of bovine cytochrome bc1 in complex with quinolone inhibitor RKA066 | | Descriptor: | 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ... | | Authors: | Amporndanai, K, O'Neill, P.M, Hong, W.D, Amewu, R.K, Pidathala, C, Berry, N.G, Biagini, G.A, Leung, S.C, Hasnain, S.S, Antonyuk, S.V. | | Deposit date: | 2020-06-17 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Targeting the ubiquinol-reduction (Qi) site of the mitochondrial cytochrome bc1 complex for the development of next generation quinolone antimalarials
To Be Published
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6H0B
 | | Crystal structure of the human GalNAc-T4 in complex with UDP, manganese and the diglycopeptide 6. | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose, ALA-THR-GLY-ALA-GLY-ALA-GLY-ALA-GLY-THR-THR-PRO-GLY-PRO-GLY, ... | | Authors: | de las Rivas, M, Daniel, E.J.P, Coelho, H, Lira-Navarrete, E, Raich, L, Companon, I, Diniz, A, Lagartera, L, Jimenez-Barbero, J, Clausen, H, Rovira, C, Marcelo, F, Corzana, F, Gerken, T.A, Hurtado-Guerrero, R. | | Deposit date: | 2018-07-08 | | Release date: | 2018-10-10 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and Mechanistic Insights into the Catalytic-Domain-Mediated Short-Range Glycosylation Preferences of GalNAc-T4.
ACS Cent Sci, 4, 2018
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6ZFT
 | | Crystal structure of bovine cytochrome bc1 in complex with quinolone inhibitor CK-2-68 | | Descriptor: | 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ... | | Authors: | Amporndanai, K, O'Neill, P.M, Hong, W.D, Amewu, R.K, Pidathala, C, Berry, N.G, Biagini, G.A, Leung, S.C, Hasnain, S.S, Antonyuk, S.V. | | Deposit date: | 2020-06-17 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Targeting the ubiquinol-reduction (Qi) site of the mitochondrial cytochrome bc1 complex for the development of next generation quinolone antimalarials
To Be Published
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6ZFS
 | | Crystal structure of bovine cytochrome bc1 in complex with quinolone inhibitor WDH-1U-4 | | Descriptor: | 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ... | | Authors: | Amporndanai, K, O'Neill, P.M, Hong, W.D, Amewu, R.K, Pidathala, C, Berry, N.G, Biagini, G.A, Leung, S.C, Hasnain, S.S, Antonyuk, S.V. | | Deposit date: | 2020-06-17 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Targeting the ubiquinol-reduction (Qi) site of the mitochondrial cytochrome bc1 complex for the development of next generation quinolone antimalarials
To Be Published
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8YE6
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8YE9
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3KE4
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5IHA
 | | MELK in complex with NVS-MELK8F | | Descriptor: | 1-methyl-4-(4-{4-[3-(2-methylpropoxy)pyridin-4-yl]-1H-pyrazol-1-yl}phenyl)piperazine, Maternal embryonic leucine zipper kinase | | Authors: | Sprague, E.R, Brazell, T. | | Deposit date: | 2016-02-29 | | Release date: | 2016-06-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
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8S6J
 | | NavMs in complex with riluzole | | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine, CHLORIDE ION, ... | | Authors: | Hollingworth, D, Sula, A, Mykhaylyk, V, Wallace, B.A. | | Deposit date: | 2024-02-27 | | Release date: | 2024-09-18 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural basis for the rescue of hyperexcitable cells by the amyotrophic lateral sclerosis drug Riluzole.
Nat Commun, 15, 2024
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1F0D
 | | Cecropin A(1-8)-magainin 2(1-12) in dodecylphosphocholine micelles | | Descriptor: | CECROPIN A-MAGAININ 2 HYBRID PEPTIDE | | Authors: | Oh, D, Shin, S.Y, Lee, S, Kim, Y. | | Deposit date: | 2000-05-16 | | Release date: | 2000-06-14 | | Last modified: | 2024-10-30 | | Method: | SOLUTION NMR | | Cite: | Role of the hinge region and the tryptophan residue in the synthetic antimicrobial peptides, cecropin A(1-8)-magainin 2(1-12) and its analogues, on their antibiotic activities and structures.
Biochemistry, 39, 2000
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1F0F
 | | Cecropin A(1-8)-magainin 2(1-12) gig deletion modification in dodecylphosphocholine micelles | | Descriptor: | CECROPIN A-MAGAININ 2 HYBRID PEPTIDE | | Authors: | Oh, D, Shin, S.Y, Lee, S, Kim, Y. | | Deposit date: | 2000-05-16 | | Release date: | 2000-06-14 | | Last modified: | 2024-11-20 | | Method: | SOLUTION NMR | | Cite: | Role of the hinge region and the tryptophan residue in the synthetic antimicrobial peptides, cecropin A(1-8)-magainin 2(1-12) and its analogues, on their antibiotic activities and structures.
Biochemistry, 39, 2000
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7ZYV
 | | Cryo-EM structure of catalytically active Spinacia oleracea cytochrome b6f in complex with endogenous plastoquinones at 2.13 A resolution | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, BETA-CAROTENE, ... | | Authors: | Sarewicz, M, Szwalec, M, Pintscher, S, Indyka, P, Rawski, M, Pietras, R, Mielecki, B, Koziej, L, Jaciuk, M, Glatt, S, Osyczka, A. | | Deposit date: | 2022-05-25 | | Release date: | 2023-01-25 | | Last modified: | 2025-10-01 | | Method: | ELECTRON MICROSCOPY (2.13 Å) | | Cite: | High-resolution cryo-EM structures of plant cytochrome b 6 f at work.
Sci Adv, 9, 2023
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1F0G
 | | Cecropin A(1-8)-magainin 2(1-12) L2 in dodecylphosphocholine micelles | | Descriptor: | CECROPIN A-MAGAININ 2 HYBRID PEPTIDE | | Authors: | Oh, D, Shin, S.Y, Lee, S, Kim, Y. | | Deposit date: | 2000-05-16 | | Release date: | 2000-06-14 | | Last modified: | 2024-10-16 | | Method: | SOLUTION NMR | | Cite: | Role of the hinge region and the tryptophan residue in the synthetic antimicrobial peptides, cecropin A(1-8)-magainin 2(1-12) and its analogues, on their antibiotic activities and structures.
Biochemistry, 39, 2000
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7NHK
 | | LsaA, an antibiotic resistance ABCF, in complex with 70S ribosome from Enterococcus faecalis | | Descriptor: | 1,4-DIAMINOBUTANE, 16S rRNA, 23S rRNA, ... | | Authors: | Crowe-McAuliffe, C, Kasari, M, Hauryliuk, V.H, Wilson, D.N. | | Deposit date: | 2021-02-10 | | Release date: | 2021-05-05 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis of ABCF-mediated resistance to pleuromutilin, lincosamide, and streptogramin A antibiotics in Gram-positive pathogens.
Nat Commun, 12, 2021
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