7FE1
| Crystal structure of GH92 alpha-1,2-mannosidase from Enterococcus faecalis ATCC 10100 in complex with methyl alpha-1,2-C-mannobioside | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, Alpha-1,2-mannosidase, ... | Authors: | Miyazaki, T, Alonso-Gil, S. | Deposit date: | 2021-07-19 | Release date: | 2022-02-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Unlocking the Hydrolytic Mechanism of GH92 alpha-1,2-Mannosidases: Computation Inspires the use of C-Glycosides as Michaelis Complex Mimics. Chemistry, 28, 2022
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8C61
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7FE2
| Crystal structure of the mutant E494Q of GH92 alpha-1,2-mannosidase from Enterococcus faecalis ATCC 10100 in complex with alpha-1,2-mannobiose | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Alpha-1,2-mannosidase, ... | Authors: | Miyazaki, T, Alonso-Gil, S. | Deposit date: | 2021-07-19 | Release date: | 2022-02-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Unlocking the Hydrolytic Mechanism of GH92 alpha-1,2-Mannosidases: Computation Inspires the use of C-Glycosides as Michaelis Complex Mimics. Chemistry, 28, 2022
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7AEQ
| Human carbonic anhydrase II in complex with 2,3,5,6-tetrafluoro-4-(2-hydroxyethylsulfanyl)-N-methyl-benzenesulfonamide | Descriptor: | 2,3,5,6-tetrakis(fluoranyl)-4-(2-hydroxyethylsulfanyl)-~{N}-methyl-benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SODIUM ION, ... | Authors: | Paketuryte, V, Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2020-09-18 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure and mechanism of secondary sulfonamide binding to carbonic anhydrases. Eur.Biophys.J., 50, 2021
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7AES
| Human carbonic anhydrase II in complex with 2,3,5,6-tetrafluoro-N-methyl-4-propylsulfanyl-benzenesulfonamide | Descriptor: | 2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-4-propylsulfanyl-benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BICINE, ... | Authors: | Paketuryte, V, Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2020-09-18 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure and mechanism of secondary sulfonamide binding to carbonic anhydrases. Eur.Biophys.J., 50, 2021
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7AGN
| Human carbonic anhydrase II in complex with 4-(2-aminoethylsulfanyl)-2,3,5,6-tetrafluoro-N-methyl-benzenesulfonamide | Descriptor: | 4-(2-azanylethylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-benzenesulfonamide, BICINE, SODIUM ION, ... | Authors: | Paketuryte, V, Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2020-09-23 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Structure and mechanism of secondary sulfonamide binding to carbonic anhydrases. Eur.Biophys.J., 50, 2021
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7AWH
| Crystal structure of human butyrylcholinesterase in complex with tert-butyl 3-(((2-((1-(benzenesulfonyl)-1H-indol-4-yl)oxy)ethyl)amino)methyl)piperidine-1-carboxylate | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Brazzolotto, X, Wichur, T, Wieckowska, A. | Deposit date: | 2020-11-08 | Release date: | 2021-09-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Development and crystallography-aided SAR studies of multifunctional BuChE inhibitors and 5-HT 6 R antagonists with beta-amyloid anti-aggregation properties. Eur.J.Med.Chem., 225, 2021
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7AEZ
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7AFY
| Crystal structure of the metallo-beta-lactamase VIM1 with 1306 | Descriptor: | 3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, SODIUM ION, ... | Authors: | Brem, J, Schofield, C.J. | Deposit date: | 2020-09-21 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.105 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM2 with 139 To Be Published
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7AKT
| CrPetF variant - A39G_A41V | Descriptor: | BENZAMIDINE, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Kurisu, G, Ohnishi, Y, Engelbrecht, V, Happe, T. | Deposit date: | 2020-10-02 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | Ferredoxin 2.0: an electron transfer protein designed into a photosystem I-driven hydrogenase To Be Published
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7ALA
| human GCH-GFRP inhibitory complex | Descriptor: | 2-azanyl-8-[(4-fluorophenyl)methylsulfanyl]-1,7-dihydropurin-6-one, GTP cyclohydrolase 1, GTP cyclohydrolase 1 feedback regulatory protein, ... | Authors: | Ebenhoch, R, Nar, H. | Deposit date: | 2020-10-06 | Release date: | 2021-10-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.846 Å) | Cite: | A hybrid approach reveals the allosteric regulation of GTP cyclohydrolase I. Proc.Natl.Acad.Sci.USA, 117, 2020
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8CTY
| 12-mer DNA structure of ExBIM bound to RNase-H | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Pallan, P.S, Egli, M. | Deposit date: | 2022-05-16 | Release date: | 2022-08-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Conformation and Pairing Properties of an O 6 -Methyl-2'-deoxyguanosine-Directed Benzimidazole Nucleoside Analog in Duplex DNA. Chem.Res.Toxicol., 35, 2022
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4A22
| Structure of Mycobacterium tuberculosis fructose 1,6-bisphosphate aldolase bound to N-(4-hydroxybutyl)- glycolohydroxamic acid bis- phosphate | Descriptor: | 4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydrogen phosphate, FRUCTOSE-BISPHOSPHATE ALDOLASE, SODIUM ION, ... | Authors: | Coincon, M, De la Paz Santangelo, M, Gest, P.M, Guerin, M.E, Pham, H, Ryan, G, Puckett, S.E, Spencer, J.S, Gonzalez-Juarrero, M, Daher, R, Lenaerts, A.J, Schnappinger, D, Therisod, M, Ehrt, S, Jackson, M, Sygusch, J. | Deposit date: | 2011-09-21 | Release date: | 2011-10-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Glycolytic and non-glycolytic functions of Mycobacterium tuberculosis fructose-1,6-bisphosphate aldolase, an essential enzyme produced by replicating and non-replicating bacilli. J. Biol. Chem., 286, 2011
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7AQX
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7AQZ
| Co-Crystal Structure of Variant Surface Glycoprotein VSG2 in complex with Nanobody VSG2(NB14) | Descriptor: | CITRIC ACID, Nanobody VSG2(NB14), SODIUM ION, ... | Authors: | Stebbins, C.E, Hempelmann, A, VanStraaten, M. | Deposit date: | 2020-10-23 | Release date: | 2021-11-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Nanobody-mediated macromolecular crowding induces membrane fission and remodeling in the African trypanosome. Cell Rep, 37, 2021
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3OSJ
| X-Ray Structure of Phycobilisome LCM core-membrane linker polypeptide (fragment 254-400) from Synechocystis sp. PCC 6803, Northeast Structural Genomics Consortium Target SgR209C | Descriptor: | NITRATE ION, Phycobilisome LCM core-membrane linker polypeptide, SODIUM ION | Authors: | Kuzin, A, Su, M, Lew, S, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2010-09-09 | Release date: | 2010-10-06 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Northeast Structural Genomics Consortium Target SgR209C To be published
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5NPK
| 1.98A STRUCTURE OF THIOPHENE1 WITH S.AUREUS DNA GYRASE AND DNA | Descriptor: | CHLORIDE ION, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), DNA gyrase subunit B,DNA gyrase subunit B,DNA gyrase subunit A, ... | Authors: | Bax, B.D, Chan, P.F, Stavenger, R.A. | Deposit date: | 2017-04-17 | Release date: | 2017-07-12 | Last modified: | 2018-10-24 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Thiophene antibacterials that allosterically stabilize DNA-cleavage complexes with DNA gyrase. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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8CU7
| Crystal structure of A2AAR-StaR2-bRIL in complex with a novel A2a antagonist, LJ-4517 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol, Adenosine receptor A2a,Soluble cytochrome b562, ... | Authors: | Shiriaeva, A, Park, D.-J, Kim, G, Lee, Y, Hou, X, Jarhad, D.B, Kim, G, Yu, J, Hyun, Y.E, Kim, W, Gao, Z.-G, Jacobson, K.A, Han, G.W, Stevens, R.C, Jeong, L.S, Choi, S, Cherezov, V. | Deposit date: | 2022-05-16 | Release date: | 2022-08-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | GPCR Agonist-to-Antagonist Conversion: Enabling the Design of Nucleoside Functional Switches for the A 2A Adenosine Receptor. J.Med.Chem., 65, 2022
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6WNX
| FBXW11-SKP1 in complex with a pSer33/pSer37 Beta-Catenin peptide | Descriptor: | Catenin beta-1, F-box/WD repeat-containing protein 11, GLYCEROL, ... | Authors: | Ivanochko, D, Edwards, A.M, Bountra, C, Arrowsmith, C.H, Boettcher, J, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-23 | Release date: | 2020-05-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | FBXW11-SKP1 in complex with a pSer33/pSer37 Beta-Catenin peptide To Be Published
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1M90
| Co-crystal structure of CCA-Phe-caproic acid-biotin and sparsomycin bound to the 50S ribosomal subunit | Descriptor: | 23S RRNA, 5S RRNA, 6-AMINOHEXANOIC ACID, ... | Authors: | Hansen, J.L, Schmeing, T.M, Moore, P.B, Steitz, T.A. | Deposit date: | 2002-07-26 | Release date: | 2002-09-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural insights into peptide bond formation. Proc.Natl.Acad.Sci.USA, 99, 2002
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5C9F
| Crystal structure of a retropepsin-like aspartic protease from Rickettsia conorii | Descriptor: | ApRick protease, CHLORIDE ION, SODIUM ION | Authors: | Li, M, Gustchina, A, Cruz, R, Simoes, M, Curto, P, Martinez, J, Faro, C, Simoes, I, Wlodawer, A. | Deposit date: | 2015-06-26 | Release date: | 2015-10-14 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of RC1339/APRc from Rickettsia conorii, a retropepsin-like aspartic protease. Acta Crystallogr. D Biol. Crystallogr., 71, 2015
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6WJO
| Crystal structure of wild-type Arginine Repressor from the pathogenic bacterium Corynebacterium pseudotuberculosis bound to tyrosine | Descriptor: | Arginine repressor, SODIUM ION, SULFATE ION, ... | Authors: | Nascimento, A.F.Z, Hernandez-Gonzalez, J.E, de Morais, M.A.B, Murakami, M.T, Carareto, C.M.A, Arni, R.K, Mariutti, R.B. | Deposit date: | 2020-04-14 | Release date: | 2020-04-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.693 Å) | Cite: | A single P115Q mutation modulates specificity in the Corynebacterium pseudotuberculosis arginine repressor. Biochim Biophys Acta Gen Subj, 1864, 2020
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4IGB
| Crystal structure of the N-terminal domain of the Streptococcus gordonii adhesin Sgo0707 | Descriptor: | ACETATE ION, GLYCEROL, LPXTG cell wall surface protein, ... | Authors: | Nylander, A, Svensater, G, Senadheera, D.B, Cvitkovitch, D.G, Davies, J.R, Persson, K. | Deposit date: | 2012-12-17 | Release date: | 2013-06-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structural and Functional Analysis of the N-terminal Domain of the Streptococcus gordonii Adhesin Sgo0707 Plos One, 8, 2013
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4IKD
| Crystal structure of SNX11 PX domain | Descriptor: | CHLORIDE ION, SODIUM ION, Sorting nexin-11 | Authors: | Xu, J, Xu, T, Liu, J. | Deposit date: | 2012-12-26 | Release date: | 2013-04-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of Sorting Nexin 11 (SNX11) Reveals a Novel Extended PX Domain (PXe Domain) Critical for the Inhibition of Sorting Nexin 10 (SNX10) Induced Vacuolation to be published
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1NJI
| Structure of chloramphenicol bound to the 50S ribosomal subunit | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L10e, 50S ribosomal protein L13P, ... | Authors: | Hansen, J.L, Moore, P.B, Steitz, T.A. | Deposit date: | 2002-12-31 | Release date: | 2003-07-22 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of Five Antibiotics Bound at the Peptidyl Transferase Center of
the Large Ribosomal Subunit J.Mol.Biol., 330, 2003
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