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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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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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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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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