1XEY
| Crystal structure of the complex of Escherichia coli GADA with glutarate at 2.05 A resolution | Descriptor: | ACETATE ION, GLUTARIC ACID, Glutamate decarboxylase alpha, ... | Authors: | Dutyshev, D.I, Darii, E.L, Fomenkova, N.P, Pechik, I.V, Polyakov, K.M, Nikonov, S.V, Andreeva, N.S, Sukhareva, B.S. | Deposit date: | 2004-09-13 | Release date: | 2004-10-05 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure of Escherichia coli glutamate decarboxylase (GADalpha) in complex with glutarate at 2.05 angstroms resolution. Acta Crystallogr.,Sect.D, 61, 2005
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6URF
| Malic enzyme from Mycobacterium tuberculosis | Descriptor: | GLYCEROL, NAD-dependent malic enzyme | Authors: | Cuthbert, B.J, Burley, K.H, Goulding, C.W, Mathews, E.I, Beste, D.J. | Deposit date: | 2019-10-23 | Release date: | 2020-10-28 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structural and Molecular Dynamics of Mycobacterium tuberculosis Malic Enzyme, a Potential Anti-TB Drug Target. Acs Infect Dis., 7, 2021
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1VDV
| Bovine Milk Xanthine Dehydrogenase Y-700 Bound Form | Descriptor: | 1-[3-CYANO-4-(NEOPENTYLOXY)PHENYL]-1H-PYRAZOLE-4-CARBOXYLIC ACID, ACETIC ACID, CALCIUM ION, ... | Authors: | Fukunari, A, Okamoto, K, Nishino, T, Eger, B.T, Pai, E.F, Kamezawa, M, Yamada, I, Kato, N. | Deposit date: | 2004-03-25 | Release date: | 2004-12-21 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Y-700 [1-[3-Cyano-4-(2,2-dimethylpropoxy)phenyl]-1H-pyrazole-4-carboxylic acid]: a potent xanthine oxidoreductase inhibitor with hepatic excretion J.Pharmacol.Exp.Ther., 311, 2004
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6SAZ
| Cleaved human fetuin-b in complex with crayfish astacin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Astacin, ... | Authors: | Gomis-Ruth, F.X, Guevara, T, Cuppari, A, Korschgen, H, Schmitz, C, Kuske, M, Yiallouros, I, Floehr, J, Jahnen-Dechent, W, Stocker, W. | Deposit date: | 2019-07-18 | Release date: | 2019-10-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The C-terminal region of human plasma fetuin-B is dispensable for the raised-elephant-trunk mechanism of inhibition of astacin metallopeptidases. Sci Rep, 9, 2019
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2HMP
| Uncomplexed actin cleaved with protease ECP32 | Descriptor: | 1,2-ETHANEDIOL, 2,2',2''-NITRILOTRIETHANOL, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Klenchin, V.A, Khaitlina, S.Y, Rayment, I. | Deposit date: | 2006-07-11 | Release date: | 2006-09-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.899 Å) | Cite: | Crystal structure of polymerization-competent actin J.Mol.Biol., 362, 2006
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6I2T
| CryoEM reconstruction of full-length, fully-glycosylated human butyrylcholinesterase tetramer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cholinesterase, lamellipodin-derived polyproline peptide | Authors: | Leung, M.R, van Bezouwen, L.S, Schopfer, L.M, Sussman, J.L, Silman, I, Lockridge, O, Zeev-Ben-Mordehai, T. | Deposit date: | 2018-11-01 | Release date: | 2018-12-19 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (5.7 Å) | Cite: | Cryo-EM structure of the native butyrylcholinesterase tetramer reveals a dimer of dimers stabilized by a superhelical assembly. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7MHA
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8TRY
| Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20348 | Descriptor: | N-{(2S,3S)-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3-hydroxy-1-phenylbutan-2-yl}-4-(2-methylbutan-2-yl)benzene-1-sulfonamide, Polyketide synthase Pks13, SULFATE ION | Authors: | Krieger, I.V, Sacchettini, J.C. | Deposit date: | 2023-08-10 | Release date: | 2024-04-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening. Acs Infect Dis., 10, 2024
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5KDJ
| ZmpB metallopeptidase from Clostridium perfringens | Descriptor: | F5/8 type C domain protein, GLYCEROL, SODIUM ION, ... | Authors: | Noach, I, Ficko-Blean, E, Stuart, C, Boraston, A.B. | Deposit date: | 2016-06-08 | Release date: | 2017-01-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Recognition of protein-linked glycans as a determinant of peptidase activity. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5KEJ
| Crystallographic structure of the Tau class glutathione S-transferase MiGSTU in complex with S-hexyl-glutathione | Descriptor: | DI(HYDROXYETHYL)ETHER, S-HEXYLGLUTATHIONE, Tau class glutathione S-transferase | Authors: | Valenzuela-Chavira, I, Serrano-Posada, H, Lopez-Zavala, A, Hernandez-Paredes, J, Sotelo-Mundo, R. | Deposit date: | 2016-06-09 | Release date: | 2017-02-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Insights into ligand binding to a glutathione S-transferase from mango: Structure, thermodynamics and kinetics. Biochimie, 135, 2017
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6I96
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8TR4
| Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20404 | Descriptor: | 4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N,N-dimethylbenzamide, Polyketide synthase Pks13, SULFATE ION | Authors: | Krieger, I.V, Sacchettini, J.C. | Deposit date: | 2023-08-09 | Release date: | 2024-04-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening. Acs Infect Dis., 10, 2024
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7A4L
| PRE-only solution structure of the Iron-Sulfur protein PioC from Rhodopseudomonas palustris TIE-1 | Descriptor: | IRON/SULFUR CLUSTER, PioC | Authors: | Trindade, I, Invernici, M, Cantini, F, Louro, R, Piccioli, M. | Deposit date: | 2020-08-19 | Release date: | 2020-11-11 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | PRE-driven protein NMR structures: an alternative approach in highly paramagnetic systems. Febs J., 288, 2021
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7AE2
| Crystal structure of HEPN(H107A-Y109F) toxin in complex with MNT antitoxin | Descriptor: | HEPN toxin, MNT ANTITOXIN | Authors: | Tamulaitiene, G, Sasnauskas, G, Songailiene, I, Juozapaitis, J, Siksnys, V. | Deposit date: | 2020-09-17 | Release date: | 2020-12-30 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | HEPN-MNT Toxin-Antitoxin System: The HEPN Ribonuclease Is Neutralized by OligoAMPylation. Mol.Cell, 80, 2020
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1FWX
| CRYSTAL STRUCTURE OF NITROUS OXIDE REDUCTASE FROM P. DENITRIFICANS | Descriptor: | (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, CALCIUM ION, CHLORIDE ION, ... | Authors: | Brown, K, Djinovic-Carugo, K, Haltia, T, Cabrito, I, Saraste, M, Moura, J.J, Moura, I, Tegoni, M, Cambillau, C. | Deposit date: | 2000-09-25 | Release date: | 2001-09-25 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Revisiting the Catalytic CuZ Cluster of Nitrous Oxide (N2O) Reductase. Evidence of a Bridging Inorganic Sulfur J.Biol.Chem., 275, 2000
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6I98
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5FR9
| Structure of transaminase ATA-117 arRmut11 from Arthrobacter sp. KNK168 inhibited with 1-(4-Bromophenyl)-2-fluoroethylamine | Descriptor: | (R)-AMINE TRANSAMINASE, [4-[3-(4-bromophenyl)-3-oxidanylidene-propyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl phosphate | Authors: | Cuetos, A, Kroutil, W, Lavandera, I, Grogan, G. | Deposit date: | 2015-12-16 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Catalytic Promiscuity of Transaminases: Preparation of Enantioenriched Beta-Fluoroamines by Formal Tandem Hydrodefluorination/Deamination. Angew.Chem.Int.Ed.Engl., 55, 2016
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5JS9
| Uncleaved prefusion optimized gp140 trimer with an engineered 8-residue HR1 turn bound to broadly neutralizing antibodies 8ANC195 and PGT128 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kong, L, Wilson, I.A. | Deposit date: | 2016-05-07 | Release date: | 2016-07-13 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (6.918 Å) | Cite: | Uncleaved prefusion-optimized gp140 trimers derived from analysis of HIV-1 envelope metastability. Nat Commun, 7, 2016
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5JVR
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8ATB
| Discovery of IRAK4 Inhibitor 16 | Descriptor: | GLYCEROL, Interleukin-1 receptor-associated kinase 4, ~{N}-[6-ethoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide | Authors: | Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M. | Deposit date: | 2022-08-22 | Release date: | 2023-11-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 . J.Med.Chem., 67, 2024
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2E7D
| Crystal structure of a NEAT domain from Staphylococcus aureus | Descriptor: | ACETATE ION, GLYCEROL, Hypothetical protein IsdH, ... | Authors: | Suenaga, A, Tanaka, Y, Yao, M, Kumagai, I, Tanaka, I, Tsumoto, K. | Deposit date: | 2007-01-09 | Release date: | 2008-01-22 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for multimeric heme complexation through a specific protein-heme interaction: the case of the third neat domain of IsdH from Staphylococcus aureus J.Biol.Chem., 283, 2008
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3K22
| Glucocorticoid Receptor with Bound alaninamide 10 with TIF2 peptide | Descriptor: | Glucocorticoid receptor, N-[(1R)-2-amino-1-methyl-2-oxoethyl]-3-(6-methyl-4-{[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]amino}-1H-indazol-1-yl)benzamide, Transcriptional Intermediary Factor 2, ... | Authors: | Biggadike, K.B, McLay, I.M, Madauss, K.P, Williams, S.P, Bledsoe, R.K. | Deposit date: | 2009-09-29 | Release date: | 2010-08-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design and x-ray crystal structures of high-potency nonsteroidal glucocorticoid agonists exploiting a novel binding site on the receptor. Proc.Natl.Acad.Sci.USA, 106, 2009
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6SG2
| FeFe Hydrogenase from Desulfovibrio desulfuricans in Hinact state | Descriptor: | HydB, IRON/SULFUR CLUSTER, Periplasmic [Fe] hydrogenase large subunit, ... | Authors: | Galle, L.M, Span, I. | Deposit date: | 2019-08-02 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Caught in the H inact : Crystal Structure and Spectroscopy Reveal a Sulfur Bound to the Active Site of an O 2 -stable State of [FeFe] Hydrogenase. Angew.Chem.Int.Ed.Engl., 59, 2020
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6SHW
| N-terminal domain of Drosophila X Virus VP3 | Descriptor: | SULFATE ION, Structural polyprotein | Authors: | Ferrero, D.S, Garriga, D, Guerra, P, Uson, I, Verdaguer, N. | Deposit date: | 2019-08-08 | Release date: | 2020-11-18 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure and dsRNA-binding activity of the Birnavirus Drosophila X Virus VP3 protein. J.Virol., 2020
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8OEI
| SFX structure of FutA after an accumulated dose of 350 kGy | Descriptor: | FE (III) ION, Putative iron ABC transporter, substrate binding protein | Authors: | Bolton, R, Tews, I. | Deposit date: | 2023-03-10 | Release date: | 2023-08-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | A redox switch allows binding of Fe(II) and Fe(III) ions in the cyanobacterial iron-binding protein FutA from Prochlorococcus. Proc.Natl.Acad.Sci.USA, 121, 2024
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