1IQ1
 
 | | CRYSTAL STRUCTURE OF THE IMPORTIN-ALPHA(44-54)-IMPORTIN-ALPHA(70-529) COMPLEX | | Descriptor: | IMPORTIN ALPHA-2 SUBUNIT | | Authors: | Catimel, B, Teh, T, Fontes, M.R.M, Jennings, I.G, Kobe, B. | | Deposit date: | 2001-05-28 | | Release date: | 2001-11-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Biophysical characterization of interactions involving importin-alpha during nuclear import.
J.Biol.Chem., 276, 2001
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5ISN
 | | NMR solution structure of macro domain from Venezuelan equine encephalitis virus | | Descriptor: | Non-structural polyprotein | | Authors: | Makrynitsa, G.I, Ntonti, D, Marousis, K.D, Tsika, A.C, Papageorgiou, N, Coutard, B, Bentrop, D, Spyroulias, G.A. | | Deposit date: | 2016-03-15 | | Release date: | 2017-11-29 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Conformational plasticity of the VEEV macro domain is important for binding of ADP-ribose.
J.Struct.Biol., 206, 2019
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5D7C
 | | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-[1-(pyridin-2-yl)-6-(pyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]urea, DNA gyrase subunit B, ... | | Authors: | Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C. | | Deposit date: | 2015-08-13 | | Release date: | 2015-11-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors.
J.Med.Chem., 58, 2015
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5D7R
 | | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-hydroxy-5-[5-(6-hydroxy-7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid, CHLORIDE ION, ... | | Authors: | Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C. | | Deposit date: | 2015-08-14 | | Release date: | 2015-11-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Discovery of Indazole Derivatives as a Novel Class of Bacterial Gyrase B Inhibitors.
Acs Med.Chem.Lett., 6, 2015
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1ITF
 | | INTERFERON ALPHA-2A, NMR, 24 STRUCTURES | | Descriptor: | INTERFERON ALPHA-2A | | Authors: | Klaus, W, Gsell, B, Labhardt, A.M, Wipf, B, Senn, H. | | Deposit date: | 1997-08-22 | | Release date: | 1997-12-03 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | The three-dimensional high resolution structure of human interferon alpha-2a determined by heteronuclear NMR spectroscopy in solution.
J.Mol.Biol., 274, 1997
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5DK6
 | | CRYSTAL STRUCTURE OF A 5'-METHYLTHIOADENOSINE/S-ADENOSYLHOMOCYSTEINE (MTA/SAH) NUCLEOSIDASE (MTAN) FROM COLWELLIA PSYCHRERYTHRAEA 34H (CPS_4743, TARGET PSI-029300) IN COMPLEX WITH ADENINE AT 2.27 A RESOLUTION | | Descriptor: | 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ADENINE, GLYCINE | | Authors: | Himmel, D.M, Bhosle, R, Toro, R, Ahmed, M, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Seidel, R.D, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2015-09-03 | | Release date: | 2015-11-04 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | CRYSTAL STRUCTURE OF A 5'-METHYLTHIOADENOSINE/S-ADENOSYLHOMOCYSTEINE (MTA/SAH)NUCLEOSIDASE (MTAN) FROM COLWELLIA PSYCHRERYTHRAEA 34H (CPS_4743, TARGET PSI-029300) IN COMPLEX WITH ADENINE AT 2.27 A RESOLUTION
To be published
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2FU4
 | | Crystal Structure of the DNA binding domain of E.coli FUR (Ferric Uptake Regulator) | | Descriptor: | CADMIUM ION, CHLORIDE ION, Ferric uptake regulation protein, ... | | Authors: | Pecqueur, L, D'Autreaux, B, Dupuy, J, Nicolet, Y, Jacquamet, L, Brutscher, B, Michaud-Soret, I, Bersch, B. | | Deposit date: | 2006-01-26 | | Release date: | 2006-05-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural changes of Escherichia coli ferric uptake regulator during metal-dependent dimerization and activation explored by NMR and X-ray crystallography
J.Biol.Chem., 281, 2006
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2A4G
 | | Hepatitis C Protease NS3-4A serine protease with Ketoamide Inhibitor SCH225724 Bound | | Descriptor: | ({1-[1-CARBAMOYL-PHENYL-METHYL)-CARBAMOYL]-METHYL}-AMINOOXALYL)-BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER, NS3 protease/helicase, NS4a peptide, ... | | Authors: | Arasappan, A, Njoroge, F.G, Chan, T.Y, Bennett, F, Bogen, S.L, Chen, K, Gu, H, Hong, L, Jao, E, Liu, Y.T, Lovey, R.G, Parekh, T, Pike, R.E, Pinto, P, Santhanam, B, Venkatraman, S, Vaccaro, H, Wang, H, Yang, X, Zhu, Z, Mckittrick, B, Saksena, A.K, Girijavallabhan, V, Pichardo, J, Butkiewicz, N, Ingram, R, Malcolm, B, Prongay, A.J, Yao, N, Marten, B, Madison, V, Kemp, S, Levy, O, Lim-Wilby, M, Tamura, S, Ganguly, A.K. | | Deposit date: | 2005-06-28 | | Release date: | 2006-07-04 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Hepatitis C virus NS3-4a serine protease inhibitors. SAR of P2' moiety with improved potency.
Bioorg.Med.Chem.Lett., 15, 2005
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2H0L
 | | Crystal Structure of a Mutant of Rat Annexin A5 | | Descriptor: | Annexin A5, CALCIUM ION | | Authors: | Langlois D'Estaintot, B, Gallois, B, Granier, T, Tessier, B, Brisson, A. | | Deposit date: | 2006-05-15 | | Release date: | 2007-06-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Identification of the Residues Involved in the Formation of Annexin V Trimers within 2D and 3D Crystals
To be Published
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6YUR
 | | Crystal structure of S. aureus FabI inhibited by SKTS1 | | Descriptor: | 6-[4-(4-hexyl-2-oxidanyl-phenoxy)phenoxy]pyridin-2-ol, Enoyl-[acyl-carrier-protein] reductase [NADPH], NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Weinrich, J.D, Eltschkner, S, Schiebel, J, Kehrein, J, Le, T.A, Davoodi, S, Merget, B, Tonge, P.J, Engels, B, Sotriffer, C.A, Kisker, C. | | Deposit date: | 2020-04-27 | | Release date: | 2021-03-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | A Long Residence Time Enoyl-Reductase Inhibitor Explores an Extended Binding Region with Isoenzyme-Dependent Tautomer Adaptation and Differential Substrate-Binding Loop Closure.
Acs Infect Dis., 7, 2021
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6YUU
 | | Crystal structure of M. tuberculosis InhA inhibited by SKTS1 | | Descriptor: | 6-[4-(4-hexyl-2-oxidanyl-phenoxy)phenoxy]pyridin-2-ol, CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | | Authors: | Eltschkner, S, Schiebel, J, Kehrein, J, Le, T.A, Davoodi, S, Merget, B, Weinrich, J.D, Tonge, P.J, Engels, B, Sotriffer, C.A, Kisker, C. | | Deposit date: | 2020-04-27 | | Release date: | 2021-03-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | A Long Residence Time Enoyl-Reductase Inhibitor Explores an Extended Binding Region with Isoenzyme-Dependent Tautomer Adaptation and Differential Substrate-Binding Loop Closure.
Acs Infect Dis., 7, 2021
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5WIP
 | | TraE protein in complex with 2-(2-furyl)isonicotinic acid | | Descriptor: | 2-(furan-2-yl)pyridine-4-carboxylic acid, Conjugal transfer protein | | Authors: | Casu, B, Arya, T, Bessette, B, Baron, C. | | Deposit date: | 2017-07-19 | | Release date: | 2017-11-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Fragment-based screening identifies novel targets for inhibitors of conjugative transfer of antimicrobial resistance by plasmid pKM101.
Sci Rep, 7, 2017
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5WIO
 | | TraE protein in complex with 4-(1H-pyrrol-1-yl)pyridine-2-carboxylic acid | | Descriptor: | 4-(1H-pyrrol-1-yl)pyridine-2-carboxylic acid, Conjugal transfer protein | | Authors: | Casu, B, Arya, T, Bessette, B, Baron, C. | | Deposit date: | 2017-07-19 | | Release date: | 2017-11-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Fragment-based screening identifies novel targets for inhibitors of conjugative transfer of antimicrobial resistance by plasmid pKM101.
Sci Rep, 7, 2017
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7QQ3
 | | Cryo-EM structure of the E.coli 50S ribosomal subunit in complex with the antibiotic Myxovalargin A. | | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | | Authors: | Koller, T.O, Beckert, B, Wilson, D.N. | | Deposit date: | 2022-01-06 | | Release date: | 2023-01-18 | | Last modified: | 2023-02-01 | | Method: | ELECTRON MICROSCOPY (2.1 Å) | | Cite: | The Myxobacterial Antibiotic Myxovalargin: Biosynthesis, Structural Revision, Total Synthesis, and Molecular Characterization of Ribosomal Inhibition.
J.Am.Chem.Soc., 145, 2023
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5WIC
 | | TraE protein in complex with 2-Furoic Acid (FOA) | | Descriptor: | 2-FUROIC ACID, Conjugal transfer protein | | Authors: | Casu, B, Arya, T, Bessette, B, Baron, C. | | Deposit date: | 2017-07-19 | | Release date: | 2017-11-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Fragment-based screening identifies novel targets for inhibitors of conjugative transfer of antimicrobial resistance by plasmid pKM101.
Sci Rep, 7, 2017
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1A8D
 | | TETANUS TOXIN C FRAGMENT | | Descriptor: | GOLD ION, TETANUS NEUROTOXIN | | Authors: | Knapp, M, Rupp, B. | | Deposit date: | 1998-03-23 | | Release date: | 1998-10-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | The 1.61 Angstrom Structure of the Tetanus Toxin Ganglioside Binding Region: Solved by MAD and Mir Phase Combination
Am.Cryst.Assoc.,Abstr.Papers (Annual Meeting), 25, 1998
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7RMX
 | | Structure of De Novo designed tunable symmetric protein pockets | | Descriptor: | Tunable symmetric protein, D_3_212 | | Authors: | Bera, A.K, Hicks, D.R, Kang, A, Sankaran, B, Baker, D. | | Deposit date: | 2021-07-28 | | Release date: | 2022-08-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | De novo design of protein homodimers containing tunable symmetric protein pockets.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7RMY
 | | De Novo designed tunable protein pockets, D_3-337 | | Descriptor: | De Novo designed tunable homodimer, D_3-337 | | Authors: | Bera, A.K, Hicks, D.R, Kang, A, Sankaran, B, Baker, D. | | Deposit date: | 2021-07-28 | | Release date: | 2022-08-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.17 Å) | | Cite: | De novo design of protein homodimers containing tunable symmetric protein pockets.
Proc.Natl.Acad.Sci.USA, 119, 2022
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1A8L
 | | PROTEIN DISULFIDE OXIDOREDUCTASE FROM ARCHAEON PYROCOCCUS FURIOSUS | | Descriptor: | PROTEIN DISULFIDE OXIDOREDUCTASE, ZINC ION | | Authors: | Ren, B, Tibbelin, G, Pascale, D, Rossi, M, Bartolucci, S, Ladenstein, R. | | Deposit date: | 1998-03-26 | | Release date: | 1999-03-30 | | Last modified: | 2011-11-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A protein disulfide oxidoreductase from the archaeon Pyrococcus furiosus contains two thioredoxin fold units.
Nat.Struct.Biol., 5, 1998
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7A8P
 | | Structure of human mitochondrial RNA polymerase in complex with IMT inhibitor. | | Descriptor: | (3~{R})-1-[(2~{R})-2-[4-(2-chloranyl-4-fluoranyl-phenyl)-2-oxidanylidene-chromen-7-yl]oxypropanoyl]piperidine-3-carboxylic acid, DNA-directed RNA polymerase, mitochondrial | | Authors: | Hillen, H.S, Bonekamp, N, Peter, B, Felser, A, Bergbrede, T, Choidas, A, Horn, M, Unger, A, di Lucrezia, R, Atanassov, I, Li, X, Koch, U, Menninger, S, Boros, J, Habenberger, P, Giavalisco, P, Cramer, P, Denzel, M, Nussbaumer, P, Klebl, B, Falkenberg, M, Gustafsson, C.M, Larsson, N.G. | | Deposit date: | 2020-08-30 | | Release date: | 2020-12-30 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Small-molecule inhibitors of human mitochondrial DNA transcription.
Nature, 588, 2020
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1A7L
 | | DOMINANT B-CELL EPITOPE FROM THE PRES2 REGION OF HEPATITIS B VIRUS IN THE FORM OF AN INSERTED PEPTIDE SEGMENT IN MALTODEXTRIN-BINDING PROTEIN | | Descriptor: | MALE-B363, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Saul, F.A, Vulliez-Lenormand, B, Lema, F, Bentley, G.A. | | Deposit date: | 1998-03-16 | | Release date: | 1998-06-17 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of a dominant B-cell epitope from the preS2 region of hepatitis B virus in the form of an inserted peptide segment in maltodextrin-binding protein.
J.Mol.Biol., 280, 1998
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1AII
 | | ANNEXIN III | | Descriptor: | ANNEXIN III, CALCIUM ION, ETHANOLAMINE, ... | | Authors: | Lewit-Bentley, A, Perron, B. | | Deposit date: | 1996-11-28 | | Release date: | 1997-03-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Can enzymatic activity, or otherwise, be inferred from structural studies of annexin III?
J.Biol.Chem., 272, 1997
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1B48
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3JSB
 | | Crystal structure of the N-terminal domain of the Lymphocytic Choriomeningitis Virus L protein | | Descriptor: | RNA-directed RNA polymerase | | Authors: | Morin, B, Jamal, S, Ferron, F.P, Coutard, B, Bricogne, G, Canard, B, Vonrhein, C, Marseilles Structural Genomics Program @ AFMB (MSGP) | | Deposit date: | 2009-09-10 | | Release date: | 2010-09-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | The N-terminal domain of the arenavirus L protein is an RNA endonuclease essential in mRNA transcription
Plos Pathog., 6, 2010
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7ANT
 | | Structure of CYP153A from Polaromonas sp. | | Descriptor: | 1,2-ETHANEDIOL, Cytochrome P450, HEME C | | Authors: | Zukic, E, Rowlinson, B, Sharma, M, Hoffman, S, Hauer, B, Grogan, G. | | Deposit date: | 2020-10-12 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Substrate Anchoring and Flexibility Reduction in CYP153AM.aq Leads to Highly Improved Efficiency toward Octanoic Acid
Acs Catalysis, 11, 2021
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