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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2HRR
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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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8TOQ
| ACE2-peptide 1 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ... | Authors: | Christie, M, Payne, R.J. | Deposit date: | 2023-08-03 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity. Acs Chem.Biol., 19, 2024
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8TOS
| ACE2-peptide 6 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ... | Authors: | Christie, M, Payne, R. | Deposit date: | 2023-08-03 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity. Acs Chem.Biol., 19, 2024
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8TOT
| ACE2-peptide2 complex crystal form 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, Angiotensin-converting enzyme 2, ... | Authors: | Christie, M, Payne, R.J. | Deposit date: | 2023-08-03 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity. Acs Chem.Biol., 19, 2024
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5H5O
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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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7JM5
| Crystal structure of KDM4B in complex with QC6352 | Descriptor: | 3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid, Lysine-specific demethylase 4B, NICKEL (II) ION, ... | Authors: | White, S.W, Yun, M. | Deposit date: | 2020-07-31 | Release date: | 2022-02-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Targeting KDM4 for treating PAX3-FOXO1-driven alveolar rhabdomyosarcoma. Sci Transl Med, 14, 2022
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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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6CUC
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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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4TX2
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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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5TD9
| Structure of Human Enolase 2 | Descriptor: | CHLORIDE ION, Gamma-enolase, MAGNESIUM ION | Authors: | Leonard, P.G, Muller, F.L. | Deposit date: | 2016-09-19 | Release date: | 2017-09-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.318 Å) | Cite: | Pomhex, a cell-permeable Enolase inhibitor for Collateral Lethality targeting of ENO1-deleted Glioblastoma To Be Published
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5TIJ
| Structure of Human Enolase 2 with ((3S,5S)-1,5-dihydroxy-3-methyl-2-oxopyrrolidin-3-yl)phosphonate (purified enantiomer) | 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: | 2016-10-03 | Release date: | 2017-10-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.634 Å) | Cite: | Eradication of ENO1-deleted Glioblastoma through Collateral Lethality Biorxiv, 2019
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5TGY
| NMR structure of holo-PS1 | Descriptor: | PS1, [5,10,15,20-tetrakis(trifluoromethyl)porphyrinato(2-)-kappa~4~N~21~,N~22~,N~23~,N~24~]zinc | Authors: | Polizzi, N.F, Wu, Y. | Deposit date: | 2016-09-28 | Release date: | 2017-08-09 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | De novo design of a hyperstable non-natural protein-ligand complex with sub- angstrom accuracy. Nat Chem, 9, 2017
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5TGW
| NMR structure of apo-PS1 | Descriptor: | PS1 | Authors: | Polizzi, N.F, Wu, Y. | Deposit date: | 2016-09-28 | Release date: | 2017-08-09 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | De novo design of a hyperstable non-natural protein-ligand complex with sub- angstrom accuracy. Nat Chem, 9, 2017
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5VGB
| Crystal structure of NmeCas9 HNH domain bound to anti-CRISPR AcrIIC1 | Descriptor: | Anti-CRISPR protein (AcrIIC1), CRISPR-associated endonuclease Cas9, GLYCEROL, ... | Authors: | Harrington, L.B, Doxzen, K.W, Ma, E, Knott, G.J, Kranzusch, P.J, Doudna, J.A. | Deposit date: | 2017-04-10 | Release date: | 2017-08-30 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.497 Å) | Cite: | A Broad-Spectrum Inhibitor of CRISPR-Cas9. Cell, 170, 2017
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3NVK
| Structural basis for substrate placement by an archaeal box C/D ribonucleoprotein particle | Descriptor: | 50S ribosomal protein L7Ae, Fibrillarin-like rRNA/tRNA 2'-O-methyltransferase, NOP5/NOP56 related protein, ... | Authors: | Xue, S, Wang, R, Li, H. | Deposit date: | 2010-07-08 | Release date: | 2011-07-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.209 Å) | Cite: | Structural basis for substrate placement by an archaeal box C/D ribonucleoprotein particle. Mol.Cell, 39, 2010
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4E4L
| JAK1 kinase (JH1 domain) in complex with compound 30 | Descriptor: | 1-[4-methyl-1-(methylsulfonyl)piperidin-4-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK1 | Authors: | Eigenbrot, C. | Deposit date: | 2012-03-13 | Release date: | 2012-05-30 | Last modified: | 2012-07-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors. J.Med.Chem., 55, 2012
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4E4M
| JAK2 kinase (JH1 domain) in complex with compound 30 | Descriptor: | 1-[4-methyl-1-(methylsulfonyl)piperidin-4-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK2 | Authors: | Eigenbrot, C. | Deposit date: | 2012-03-13 | Release date: | 2012-05-30 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors. J.Med.Chem., 55, 2012
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3NVM
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3NVI
| Structure of N-terminal truncated Nop56/58 bound with L7Ae and box C/D RNA | Descriptor: | 50S ribosomal protein L7Ae, NOP5/NOP56 related protein, RNA (5'-R(*CP*UP*CP*UP*GP*AP*CP*CP*GP*AP*AP*AP*GP*GP*CP*GP*UP*GP*AP*UP*GP*AP*GP*C)-3') | Authors: | Li, H, Xue, S, Wang, R. | Deposit date: | 2010-07-08 | Release date: | 2011-07-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.709 Å) | Cite: | Structural basis for substrate placement by an archaeal box C/D ribonucleoprotein particle. Mol.Cell, 39, 2010
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