2M7B
 
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2P59
 | | Crystal Structure of Hepatitis C Virus NS3.4A protease | | Descriptor: | (2S,3AS,7AS)-1-[(2S)-2-{[(2S)-2-CYCLOHEXYL-2-({[(2R)-4-NITRO-2H-PYRROL-2-YL]CARBONYL}AMINO)ACETYL]AMINO}-3,3-DIMETHYLBUTANOYL]-N-{(1S)-1-[(1R)-2-(CYCLOPROPYLAMINO)-1-HYDROXY-2-OXOETHYL]BUTYL}OCTAHYDRO-1H-INDOLE-2-CARBOXAMIDE, NS3, peptide | | Authors: | Perni, R.B, Wei, Y. | | Deposit date: | 2007-03-14 | | Release date: | 2008-02-05 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Inhibitors of hepatitis C virus NS3.4A protease. Effect of P4 capping groups on inhibitory potency and pharmacokinetics.
Bioorg.Med.Chem.Lett., 17, 2007
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1EID
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1EIC
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7SHH
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7B5K
 | | E. coli 70S containing suppressor tRNA in the A-site stabilized by a Negamycin analogue and P-site tRNA-nascent chain. | | Descriptor: | 16S rRNA, 2-[[[(3~{R},5~{R})-3-azanyl-6-(3-azanylpropylamino)-5-oxidanyl-hexanoyl]amino]-methyl-amino]ethanoic acid, 23S rRNA, ... | | Authors: | Albers, S, Beckert, B, Matthies, M, Schuster, R, Riedner, M, Seuring, C, Sanyal, S, Torda, A, Wilson, N.D, Ignatova, Z. | | Deposit date: | 2020-12-03 | | Release date: | 2021-05-26 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Harnessing evolutionarily flexibility in tRNAs to maximize nonsense suppression activities
Nat Commun, 2021
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5GSQ
 | | Crystal structure of IgG Fc with a homogeneous glycoform and Antibody-Dependent Cellular Cytotoxicity | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-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, Ig gamma-1 chain C region, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Chen, C.-L, Hsu, J.-C, Lin, C.-W, Wu, C.-Y, Wong, C.-H, Ma, C. | | Deposit date: | 2016-08-17 | | Release date: | 2017-06-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structure of a Homogeneous IgG-Fc Glycoform with the N-Glycan Designed to Maximize the Antibody Dependent Cellular Cytotoxicity
ACS Chem. Biol., 12, 2017
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5IDZ
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5JPL
 | | LP2006, a handcuff-topology lasso peptide antibiotic | | Descriptor: | Uncharacterized protein | | Authors: | Tietz, J.I, Schwalen, C.J, Blair, P.M, Zakai, U.I, Mitchell, D.A. | | Deposit date: | 2016-05-03 | | Release date: | 2017-03-01 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | A new genome-mining tool redefines the lasso peptide biosynthetic landscape.
Nat. Chem. Biol., 13, 2017
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5H5O
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5EU9
 | | Structure of Human Enolase 2 in complex with ((3S,5S)-1,5-dihydroxy-3-methyl-2-oxopyrrolidin-3-yl)phosphonic acid | | Descriptor: | ((3S,5S)-1,5-dihydroxy-3-methyl-2-oxopyrrolidin-3-yl)phosphonic acid, Gamma-enolase, MAGNESIUM ION, ... | | Authors: | Leonard, P.G, Muller, F.L. | | Deposit date: | 2015-11-18 | | Release date: | 2016-11-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.047 Å) | | Cite: | SF2312, a natural phosphonate inhibitor of Enolase
To be Published
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2HRR
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2HRQ
 | | Crystal structure of Human Liver Carboxylesterase 1 (hCE1) in covalent complex with the nerve agent Soman (GD) | | Descriptor: | (1R)-1,2,2-TRIMETHYLPROPYL (R)-METHYLPHOSPHINATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Liver carboxylesterase 1, ... | | Authors: | Fleming, C.D, Redinbo, M.R. | | Deposit date: | 2006-07-20 | | Release date: | 2007-05-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structures of Human Carboxylesterase 1 in Covalent Complexes with the Chemical Warfare Agents Soman and Tabun.
Biochemistry, 46, 2007
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1EIE
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6CUC
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3CWX
 | | Crystal structure of cagd from helicobacter pylori pathogenicity island | | Descriptor: | protein CagD | | Authors: | Cendron, L, Zanotti, G, Angelini, A, Barison, N, Couturier, M, Stein, M. | | Deposit date: | 2008-04-23 | | Release date: | 2008-12-30 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Helicobacter pylori CagD (HP0545, Cag24) protein is essential for CagA translocation and maximal induction of interleukin-8 secretion.
J.Mol.Biol., 386, 2009
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1FS3
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4TX3
 | | Complex of the X-domain and OxyB from Teicoplanin Biosynthesis | | Descriptor: | 1,2-ETHANEDIOL, OxyB protein, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Peschke, M, Haslinger, K, Cryle, M.J. | | Deposit date: | 2014-07-02 | | Release date: | 2015-02-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | X-domain of peptide synthetases recruits oxygenases crucial for glycopeptide biosynthesis.
Nature, 521, 2015
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4I5C
 | | The Jak1 kinase domain in complex with inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 3-oxo-3-[(3R)-3-(pyrrolo[2,3-b][1,2,3]triazolo[4,5-d]pyridin-1(6H)-yl)piperidin-1-yl]propanenitrile, Tyrosine-protein kinase JAK1 | | Authors: | Fong, R, Lupardus, P.J. | | Deposit date: | 2012-11-28 | | Release date: | 2013-05-22 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Novel triazolo-pyrrolopyridines as inhibitors of Janus kinase 1.
Bioorg.Med.Chem.Lett., 23, 2013
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3CWY
 | | Structure of CagD from H. pylori pathogenicity island crystallized in the presence of Cu(II) ions | | Descriptor: | COPPER (II) ION, protein CagD | | Authors: | Cendron, L, Zanotti, G, Angelini, A, Barison, N, Couturier, M, Stein, M. | | Deposit date: | 2008-04-23 | | Release date: | 2008-12-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | The Helicobacter pylori CagD (HP0545, Cag24) protein is essential for CagA translocation and maximal induction of interleukin-8 secretion.
J.Mol.Biol., 386, 2009
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5NV3
 | | Structure of Rubisco from Rhodobacter sphaeroides in complex with CABP | | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase large chain, ... | | Authors: | Bracher, A, Milicic, G, Ciniawsky, S, Wendler, P, Hayer-Hartl, M, Hartl, F.U. | | Deposit date: | 2017-05-03 | | Release date: | 2017-07-26 | | Last modified: | 2017-09-20 | | Method: | ELECTRON MICROSCOPY (3.39 Å) | | Cite: | Mechanism of Enzyme Repair by the AAA(+) Chaperone Rubisco Activase.
Mol. Cell, 67, 2017
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4DXD
 | | Staphylococcal Aureus FtsZ in complex with 723 | | Descriptor: | 3-[(6-chloro[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE | | Authors: | Lu, J, Soisson, S.M. | | Deposit date: | 2012-02-27 | | Release date: | 2012-05-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Restoring methicillin-resistant Staphylococcus aureus susceptibility to beta-lactam antibiotics.
Sci Transl Med, 4, 2012
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4E5W
 | | JAK1 kinase (JH1 domain) in complex with compound 26 | | Descriptor: | DI(HYDROXYETHYL)ETHER, Tyrosine-protein kinase JAK1, [4-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)piperidin-1-yl][(2S)-1-(propan-2-yl)pyrrolidin-2-yl]methanone | | Authors: | Murray, J.M. | | Deposit date: | 2012-03-14 | | Release date: | 2012-05-30 | | Last modified: | 2012-07-11 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors.
J.Med.Chem., 55, 2012
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4E6D
 | | JAK2 kinase (JH1 domain) triple mutant in complex with compound 7 | | Descriptor: | 3-[(3R)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)piperidin-1-yl]-3-oxopropanenitrile, GLYCEROL, Tyrosine-protein kinase JAK2 | | Authors: | Murray, J.M. | | Deposit date: | 2012-03-15 | | Release date: | 2012-05-30 | | Last modified: | 2023-03-01 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors.
J.Med.Chem., 55, 2012
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4E6Q
 | | JAK2 kinase (JH1 domain) triple mutant in complex with compound 12 | | Descriptor: | 1-(1-benzylpiperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK2 | | Authors: | Murray, J.M. | | Deposit date: | 2012-03-15 | | Release date: | 2012-05-30 | | Last modified: | 2012-07-11 | | Method: | X-RAY DIFFRACTION (1.948 Å) | | Cite: | Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors.
J.Med.Chem., 55, 2012
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