5HX6
 
 | | Crystal structure of RIP1 kinase with a benzo[b][1,4]oxazepin-4-one | | Descriptor: | 5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | | Authors: | Campobasso, N, Ward, P. | | Deposit date: | 2016-01-29 | | Release date: | 2016-03-02 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | DNA-Encoded Library Screening Identifies Benzo[b][1,4]oxazepin-4-ones as Highly Potent and Monoselective Receptor Interacting Protein 1 Kinase Inhibitors.
J.Med.Chem., 59, 2016
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3D4B
 | | Crystal structure of Sir2Tm in complex with Acetyl p53 peptide and DADMe-NAD+ | | Descriptor: | 5'-O-[(R)-{[(R)-{[(3R,4R)-1-(3-carbamoylbenzyl)-4-hydroxypyrrolidin-3-yl]methoxy}(hydroxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine, Acetyl P53 peptide, NAD-dependent deacetylase, ... | | Authors: | Hawse, W.F, Hoff, K.G, Fatkins, D, Daines, A, Zubkova, O.V, Schramm, V.L, Zheng, W, Wolberger, C. | | Deposit date: | 2008-05-14 | | Release date: | 2008-09-30 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural insights into intermediate steps in the Sir2 deacetylation reaction.
Structure, 16, 2008
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5HKV
 | | The crystal structure of the large ribosomal subunit of Staphylococcus aureus in complex with lincomycin | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 23s ribosomal RNA, 50S ribosomal protein L13, ... | | Authors: | Yonath, A, Matzov, D, Eyal, Z, Ben Hamou, R, Zimmerman, E, Rozenberg, H, Bashan, A, Fridman, M. | | Deposit date: | 2016-01-14 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.66 Å) | | Cite: | Structural insights of lincosamides targeting the ribosome of Staphylococcus aureus.
Nucleic Acids Res., 45, 2017
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3CJR
 | | Ribosomal protein L11 methyltransferase (PrmA) in complex with ribosomal protein L11 (K39A) and inhibitor Sinefungin. | | Descriptor: | 50S ribosomal protein L11, Ribosomal protein L11 methyltransferase, SINEFUNGIN | | Authors: | Demirci, H, Gregory, S.T, Dahlberg, A.E, Jogl, G. | | Deposit date: | 2008-03-13 | | Release date: | 2008-05-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Multiple-Site Trimethylation of Ribosomal Protein L11 by the PrmA Methyltransferase.
Structure, 16, 2008
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2XUA
 | | Crystal structure of the enol-lactonase from Burkholderia xenovorans LB400 | | Descriptor: | 3-OXOADIPATE ENOL-LACTONASE, LAEVULINIC ACID | | Authors: | Bains, J, Kaufman, L, Farnell, B, Boulanger, M.J. | | Deposit date: | 2010-10-17 | | Release date: | 2011-01-26 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Product Analog Bound Form of 3-Oxoadipate-Enol- Lactonase (Pcad) Reveals a Multifunctional Role for the Divergent CAP Domain.
J.Mol.Biol., 406, 2011
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1LOJ
 | | Crystal structure of a Methanobacterial Sm-like archaeal protein (SmAP1) bound to uridine-5'-monophosphate (UMP) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, URIDINE, URIDINE-5'-MONOPHOSPHATE, ... | | Authors: | Mura, C, Kozhukhovsky, A, Eisenberg, D. | | Deposit date: | 2002-05-06 | | Release date: | 2003-03-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The oligomerization and ligand-binding properties of Sm-like archaeal proteins (SmAPs)
Protein Sci., 12, 2003
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1LQH
 | | INSECTICIDAL ALPHA SCORPION TOXIN ISOLATED FROM THE VENOM OF SCORPION LEIURUS QUINQUESTRIATUS HEBRAEUS, NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | INSECT TOXIN ALPHA | | Authors: | Tugarinov, V, Kustanovich, I, Zilberberg, N, Gurevitz, M, Anglister, J. | | Deposit date: | 1996-06-17 | | Release date: | 1997-03-12 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Solution structures of a highly insecticidal recombinant scorpion alpha-toxin and a mutant with increased activity.
Biochemistry, 36, 1997
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3B4T
 | | Crystal structure of Mycobacterium tuberculosis RNase PH, the Mycobacterium tuberculosis Structural Genomics Consortium target Rv1340 | | Descriptor: | PHOSPHATE ION, Ribonuclease PH | | Authors: | Antczak, A.J, Berger, J.M, Lekin, T, Segelke, B.W, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB), TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2007-10-24 | | Release date: | 2007-11-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 2.1 A Crystal structure of RNase PH from Mycobacterium tuberculosis.
To be Published
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3B6B
 | | Crystal structure of Acanthamoeba polyphaga mimivirus nucleoside diphosphate kinase complexed with dGDP | | Descriptor: | 2'-DEOXYGUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Nucleoside diphosphate kinase | | Authors: | Jeudy, S, Lartigue, A, Claverie, J.M, Abergel, C. | | Deposit date: | 2007-10-28 | | Release date: | 2008-11-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Dissecting the unique nucleotide specificity of mimivirus nucleoside diphosphate kinase.
J.Virol., 83, 2009
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3D3D
 | | Bacteriophage lambda lysozyme complexed with a chitohexasaccharide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lysozyme, SULFATE ION | | Authors: | Leung, A.K.W, Berghuis, A.M. | | Deposit date: | 2008-05-09 | | Release date: | 2008-09-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of the lytic transglycosylase from bacteriophage lambda in complex with hexa-N-acetylchitohexaose
Biochemistry, 40, 2001
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2F8V
 | | Structure of full length telethonin in complex with the N-terminus of titin | | Descriptor: | N2B-Titin Isoform, SULFATE ION, Telethonin | | Authors: | Pinotsis, N, Petoukhov, M, Lange, S, Svergun, D, Zou, P, Gautel, M, Wilmanns, M. | | Deposit date: | 2005-12-04 | | Release date: | 2006-06-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Evidence for a dimeric assembly of two titin/telethonin complexes induced by the telethonin C-terminus.
J.Struct.Biol., 155, 2006
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2FEQ
 | | orally active thrombin inhibitors | | Descriptor: | Decapeptide Hirudin Analogue, N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({4-[(E)-AMINO(IMINO)METHYL]-1,3-THIAZOL-2-YL}METHYL)-L-PROLINAMIDE, Thrombin heavy chain, ... | | Authors: | Mack, H, Baucke, D, Hornberger, W, Lange, U.E.W, Hoeffken, H.W. | | Deposit date: | 2005-12-16 | | Release date: | 2006-08-08 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Orally active thrombin inhibitors. Part 1: optimization of the P1-moiety
Bioorg.Med.Chem.Lett., 16, 2006
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2XOD
 | | Crystal structure of flavoprotein NrdI from Bacillus anthracis in the oxidised form | | Descriptor: | CACODYLATE ION, FLAVIN MONONUCLEOTIDE, NRDI PROTEIN, ... | | Authors: | Johansson, R, Sprenger, J, Torrents, E, Sahlin, M, Sjoberg, B.M, Logan, D.T. | | Deposit date: | 2010-08-14 | | Release date: | 2010-08-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (0.96 Å) | | Cite: | High Resolution Crystal Structures of Nrdi in the Oxidised and Reduced States: An Unusual Flavodoxin
FEBS J., 277, 2010
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3F4B
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3D07
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2KUA
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2F7Z
 | | Protein Kinase A bound to (R)-1-(1H-Indol-3-ylmethyl)-2-(2-pyridin-4-yl-[1,7]naphtyridin-5-yloxy)-ehylamine | | Descriptor: | (1S)-1-(1H-INDOL-3-YLMETHYL)-2-(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-5-YLOXY)-EHYLAMINE, PKI, inhibitory peptide, ... | | Authors: | Li, Q, Woods, K.W, Thomas, S, Zhu, G.D, Packard, G, Fisher, J, Li, T, Gong, J, Dinges, J, Song, X, Abrams, J, Luo, Y, Johnson, E.F, Shi, Y, Liu, X, Klinghofer, V, Des Jong, R, Oltersdorf, T, Stoll, V.S, Jakob, C.G, Rosenberg, S.H, Giranda, V.L. | | Deposit date: | 2005-12-01 | | Release date: | 2006-06-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Synthesis and structure-activity relationship of 3,4'-bispyridinylethylenes: discovery of a potent 3-isoquinolinylpyridine inhibitor of protein kinase B (PKB/Akt) for the treatment of cancer.
Bioorg.Med.Chem.Lett., 16, 2006
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2XQ0
 | | Structure of yeast LTA4 hydrolase in complex with Bestatin | | Descriptor: | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, CHLORIDE ION, LEUKOTRIENE A-4 HYDROLASE, ... | | Authors: | Helgstrand, C, Hasan, M, Usyal, H, Haeggstrom, J.Z, Thunnissen, M.M.G.M. | | Deposit date: | 2010-08-31 | | Release date: | 2010-12-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.955 Å) | | Cite: | A Leukotriene A(4) Hydrolase-Related Aminopeptidase from Yeast Undergoes Induced Fit Upon Inhibitor Binding.
J.Mol.Biol., 406, 2011
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3H7V
 | | CRYSTAL STRUCTURE OF O-SUCCINYLBENZOATE SYNTHASE FROM THERMOSYNECHOCOCCUS ELONGATUS BP-1 complexed with MG in the active site | | Descriptor: | MAGNESIUM ION, O-SUCCINYLBENZOATE SYNTHASE | | Authors: | Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-04-28 | | Release date: | 2009-05-12 | | Last modified: | 2021-02-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family.
Proc.Natl.Acad.Sci.USA, 111, 2014
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1DXK
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2FI3
 | | Crystal structure of a BPTI variant (Cys14->Ser, Cys38->Ser) in complex with trypsin | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ... | | Authors: | Zakharova, E, Horvath, M.P, Goldenberg, D.P. | | Deposit date: | 2005-12-27 | | Release date: | 2006-01-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Functional and structural roles of the Cys14-Cys38 disulfide of bovine pancreatic trypsin inhibitor.
J.Mol.Biol., 382, 2008
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2FIC
 | | The crystal structure of the BAR domain from human Bin1/Amphiphysin II and its implications for molecular recognition | | Descriptor: | Myc box-dependent-interacting protein 1, XENON | | Authors: | Casal, E, Federici, L, Zhang, W, Fernandez-Recio, J, Priego, E.M, Miguel, R.N, Duhadaway, J.B, Prendergast, G.C, Luisi, B.F, Laue, E.D. | | Deposit date: | 2005-12-29 | | Release date: | 2006-11-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | The Crystal Structure of the BAR Domain from Human Bin1/Amphiphysin II and Its Implications for Molecular Recognition
Biochemistry, 45, 2006
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2ZII
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1LQI
 | | INSECTICIDAL ALPHA SCORPION TOXIN ISOLATED FROM THE VENOM OF SCORPION LEIURUS QUINQUESTRIATUS HEBRAEUS, NMR, 29 STRUCTURES | | Descriptor: | INSECT TOXIN ALPHA | | Authors: | Tugarinov, V, Kustanovich, I, Zilberberg, N, Gurevitz, M, Anglister, J. | | Deposit date: | 1996-06-17 | | Release date: | 1997-03-12 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Solution structures of a highly insecticidal recombinant scorpion alpha-toxin and a mutant with increased activity.
Biochemistry, 36, 1997
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3CQQ
 | | Human SOD1 G85R Variant, Structure II | | Descriptor: | ACETYL GROUP, Superoxide dismutase [Cu-Zn], ZINC ION | | Authors: | Cao, X, Antonyuk, S, Whitson, L.J, Taylor, A.B, Holloway, S.P, Strange, R.W, Doucette, P.A, Valentine, J.S, Tiwari, A, Hayward, L.J, Padua, S, Cohlberg, J.A, Hasnain, S.S, Hart, P.J. | | Deposit date: | 2008-04-03 | | Release date: | 2008-04-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structures of the G85R Variant of SOD1 in Familial Amyotrophic Lateral Sclerosis.
J.Biol.Chem., 283, 2008
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