6YZQ
| Carborane closo-butyl-sulfonamide in complex with CA II | Descriptor: | Carbonic anhydrase 2, Carborane closo-butyl-sulfonamide, ZINC ION | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | Deposit date: | 2020-05-07 | Release date: | 2020-10-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX. J Enzyme Inhib Med Chem, 35, 2020
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6YZX
| Carborane nido-hexyl-sulfonamide in complex with CA II | Descriptor: | Carbonic anhydrase 2, Carborane nido-hexyl-sulfonamide, ZINC ION | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | Deposit date: | 2020-05-07 | Release date: | 2020-10-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX. J Enzyme Inhib Med Chem, 35, 2020
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6ZJU
| Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB mutant E441Q in complex with saccharose | Descriptor: | ACETATE ION, Beta-galactosidase, MALONATE ION, ... | Authors: | Rutkiewicz, M, Bujacz, A, Bujacz, G. | Deposit date: | 2020-06-29 | Release date: | 2020-08-05 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Mapping the Transglycosylation Relevant Sites of Cold-Adapted beta-d-Galactosidase fromArthrobactersp. 32cB. Int J Mol Sci, 21, 2020
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6YUC
| Crystal structure of Uba4-Urm1 from Chaetomium thermophilum | Descriptor: | Adenylyltransferase and sulfurtransferase uba4, Ubiquitin-related modifier 1, ZINC ION | Authors: | Grudnik, P, Pabis, M, Ethiraju Ravichandran, K, Glatt, S. | Deposit date: | 2020-04-26 | Release date: | 2020-07-22 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Molecular basis for the bifunctional Uba4-Urm1 sulfur-relay system in tRNA thiolation and ubiquitin-like conjugation. Embo J., 39, 2020
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6NB4
| MERS-CoV S complex with human neutralizing LCA60 antibody Fab fragment (state 2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LCA60 heavy chain, ... | Authors: | Walls, A.C, Xiong, X, Park, Y.J, Tortorici, M.A, Snijder, S, Quispe, J, Cameroni, E, Gopal, R, Mian, D, Lanzavecchia, A, Zambon, M, Rey, F.A, Corti, D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2018-12-06 | Release date: | 2019-02-06 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Unexpected Receptor Functional Mimicry Elucidates Activation of Coronavirus Fusion. Cell, 176, 2019
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5LNE
| E. coli F9 pilus adhesin FmlH bound to the Thomsen-Friedenreich (TF) antigen | Descriptor: | NICKEL (II) ION, Putative Fml fimbrial adhesin FmlD, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose | Authors: | Ruer, S, Conover, M.S, Kalas, V, Taganna, J, De Greve, H, Pinkner, J.S, Dodson, K.W, Hultgren, S.J, Remaut, H. | Deposit date: | 2016-08-04 | Release date: | 2016-10-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Inflammation-Induced Adhesin-Receptor Interaction Provides a Fitness Advantage to Uropathogenic E. coli during Chronic Infection. Cell Host Microbe, 20, 2016
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8SH3
| Pendrin in complex with iodide | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, CHOLESTEROL, IODIDE ION, ... | Authors: | Wang, L, Hoang, A, Zhou, M. | Deposit date: | 2023-04-13 | Release date: | 2024-02-07 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Mechanism of anion exchange and small-molecule inhibition of pendrin. Nat Commun, 15, 2024
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6WQZ
| Structure of human ATG9A, the only transmembrane protein of the core autophagy machinery | Descriptor: | Autophagy-related protein 9A, Lauryl Maltose Neopentyl Glycol | Authors: | Guardia, C.M, Tan, X, Lian, T, Rana, M.S, Zhou, W, Christenson, E.T, Lowry, A.J, Faraldo-Gomez, J.D, Bonifacino, J.S, Jiang, J, Banerjee, A. | Deposit date: | 2020-04-29 | Release date: | 2020-07-08 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structure of Human ATG9A, the Only Transmembrane Protein of the Core Autophagy Machinery. Cell Rep, 31, 2020
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3DJN
| Crystal structure of mouse TIS21 | Descriptor: | Protein BTG2 | Authors: | Yang, X, Morita, M, Wang, H, Suzuki, T, Bartlam, M, Yamamoto, T. | Deposit date: | 2008-06-24 | Release date: | 2008-11-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of human BTG2 and mouse TIS21 involved in suppression of CAF1 deadenylase activity Nucleic Acids Res., 36, 2008
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8IGF
| Crystal Structure of Human Carbonic Anhydrase II In-complex with 4-Acetylphenylboronic acid at 2.6 A Resolution | Descriptor: | (4-ethanoylphenyl)boronic acid, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Rasheed, S, Huda, N, Fisher, S.Z, Falke, S, Gul, S, Ahmad, M.S, Choudhary, M.I. | Deposit date: | 2023-02-20 | Release date: | 2024-02-28 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Identification, crystallization, and first X-ray structure analyses of phenyl boronic acid-based inhibitors of human carbonic anhydrase-II. Int.J.Biol.Macromol., 267, 2024
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3DIC
| Crystal structure of bovine pancreatic ribonuclease A variant (V108A) | Descriptor: | CHLORIDE ION, Ribonuclease pancreatic, SULFATE ION | Authors: | Kurpiewska, K, Font, J, Ribo, M, Vilanova, M, Lewinski, K. | Deposit date: | 2008-06-20 | Release date: | 2008-07-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | X-ray crystallographic studies of RNase A variants engineered at the most destabilizing positions of the main hydrophobic core: further insight into protein stability Proteins, 77, 2009
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8SGW
| Pendrin in complex with chloride | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, CHLORIDE ION, CHOLESTEROL, ... | Authors: | Wang, L, Hoang, A, Zhou, M. | Deposit date: | 2023-04-13 | Release date: | 2024-02-07 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Mechanism of anion exchange and small-molecule inhibition of pendrin. Nat Commun, 15, 2024
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6BOT
| Human APE1 substrate complex with an C/C mismatch adjacent the THF | Descriptor: | 1,2-ETHANEDIOL, 21-mer DNA, DNA-(apurinic or apyrimidinic site) lyase | Authors: | Freudenthal, B.D, Whitaker, A.M, Fairlamb, M.S. | Deposit date: | 2017-11-20 | Release date: | 2018-08-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Apurinic/apyrimidinic (AP) endonuclease 1 processing of AP sites with 5' mismatches. Acta Crystallogr D Struct Biol, 74, 2018
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8SHC
| Pendrin in complex with Niflumic acid | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID, CHLORIDE ION, ... | Authors: | Wang, L, Hoang, A, Zhou, M. | Deposit date: | 2023-04-13 | Release date: | 2024-02-07 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Mechanism of anion exchange and small-molecule inhibition of pendrin. Nat Commun, 15, 2024
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3DL2
| Hexagonal structure of the LDH domain of Human Ubiquitin-conjugating Enzyme E2-like Isoform A | Descriptor: | PHOSPHATE ION, SODIUM ION, Ubiquitin-conjugating enzyme E2 variant 3 | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Finerty Jr, P.J, Butler-Cole, C, Bountra, C, Wolkstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2008-06-26 | Release date: | 2008-07-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Investigation Into the L-Lactate Dehydrogenase Domain of Human Ubiquitin-Conjugating Enzyme E2-Like Isoform A. To be Published
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8SIE
| Pendrin in complex with bicarbonate | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, BICARBONATE ION, CHOLESTEROL, ... | Authors: | Wang, L, Hoang, A, Zhou, M. | Deposit date: | 2023-04-16 | Release date: | 2024-02-07 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Mechanism of anion exchange and small-molecule inhibition of pendrin. Nat Commun, 15, 2024
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6YZN
| Closo-carborane butyl-sulfonamide in complex with CA IX mimic | Descriptor: | Carbonic anhydrase 2, Carborane closo-butyl-sulfonamide, ZINC ION | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | Deposit date: | 2020-05-07 | Release date: | 2020-10-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX. J Enzyme Inhib Med Chem, 35, 2020
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3DO9
| Crystal structure of protein ba1542 from bacillus anthracis str.ames | Descriptor: | UPF0302 protein BA_1542/GBAA1542/BAS1430 | Authors: | Patskovsky, Y, Ozyurt, S, Freeman, J, Iizuka, M, Maletic, M, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-07-03 | Release date: | 2008-09-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal Structure of Protein Ba1542 from Bacillus Anthracis Str.Ames. To be Published
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6BMM
| Structure of human DHHC20 palmitoyltransferase, space group P21 | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,5S)-hexane-2,5-diol, PHOSPHATE ION, ... | Authors: | Rana, M.S, Lee, C.-J, Banerjee, A. | Deposit date: | 2017-11-15 | Release date: | 2018-01-24 | Last modified: | 2018-03-28 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Fatty acyl recognition and transfer by an integral membraneS-acyltransferase. Science, 359, 2018
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6ZJT
| Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB mutant E441Q in complex with lactulose | Descriptor: | ACETATE ION, Beta-galactosidase, SODIUM ION, ... | Authors: | Rutkiewicz, M, Bujacz, A, Bujacz, G. | Deposit date: | 2020-06-29 | Release date: | 2020-08-05 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Mapping the Transglycosylation Relevant Sites of Cold-Adapted beta-d-Galactosidase fromArthrobactersp. 32cB. Int J Mol Sci, 21, 2020
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6ZA5
| M. tuberculosis salicylate synthase MbtI in complex with salicylate and Mg2+ | Descriptor: | 2-HYDROXYBENZOIC ACID, ACETATE ION, MAGNESIUM ION, ... | Authors: | Mori, M, Villa, S, Meneghetti, F, Bellinzoni, M. | Deposit date: | 2020-06-04 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.109 Å) | Cite: | Shedding X-ray Light on the Role of Magnesium in the Activity ofMycobacterium tuberculosisSalicylate Synthase (MbtI) for Drug Design. J.Med.Chem., 63, 2020
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3DU7
| Tubulin-colchicine-phomopsin A: Stathmin-like domain complex | Descriptor: | 2-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY-9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN-7-YL]ACETAMIDE, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Cormier, A, Marchand, M, Ravelli, R.B, Knossow, M, Gigant, B. | Deposit date: | 2008-07-17 | Release date: | 2008-10-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (4.1 Å) | Cite: | Structural insight into the inhibition of tubulin by vinca domain peptide ligands Embo Rep., 9, 2008
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2R69
| Crystal structure of Fab 1A1D-2 complexed with E-DIII of Dengue virus at 3.8 angstrom resolution | Descriptor: | Heavy chain of 1A1D-2, Light chain of 1A1D-2, Major envelope protein E | Authors: | Lok, S.M, Kostyuchenko, V.K, Nybakken, G.E, Holdaway, H.A, Battisti, A.J, Sukupolvi-petty, S, Sedlak, D, Fremont, D.H, Chipman, P.R, Roehrig, J.T, Diamond, M.S, Kuhn, R.J, Rossmann, M.G. | Deposit date: | 2007-09-05 | Release date: | 2007-12-25 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Binding of a neutralizing antibody to dengue virus alters the arrangement of surface glycoproteins. Nat.Struct.Mol.Biol., 15, 2008
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2R5B
| Structure of the gp41 N-trimer in complex with the HIV entry inhibitor PIE7 | Descriptor: | HIV entry inhibitor PIE7, SULFATE ION, gp41 N-peptide | Authors: | VanDemark, A.P, Welch, B, Heroux, A, Hill, C.P, Kay, M.S. | Deposit date: | 2007-09-03 | Release date: | 2007-10-02 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Potent D-peptide inhibitors of HIV-1 entry Proc.Natl.Acad.Sci.Usa, 104, 2007
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2R8P
| Transketolase from E. coli in complex with substrate D-fructose-6-phosphate | Descriptor: | 1,2-ETHANEDIOL, 2-C-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-6-O-phosphono-D-glucitol, CALCIUM ION, ... | Authors: | Wille, G, Asztalos, P, Weiss, M.S, Tittmann, K. | Deposit date: | 2007-09-11 | Release date: | 2007-12-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Strain and near attack conformers in enzymic thiamin catalysis: X-ray crystallographic snapshots of bacterial transketolase in covalent complex with donor ketoses xylulose 5-phosphate and fructose 6-phosphate, and in noncovalent complex with acceptor aldose ribose 5-phosphate. Biochemistry, 46, 2007
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