4O9S
 
 | | Crystal structure of Retinol-Binding Protein 4 (RBP4)in complex with a non-retinoid ligand | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-(7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone, CHLORIDE ION, ... | | Authors: | Wang, Z, Johnstone, S, Walker, N.P. | | Deposit date: | 2014-01-02 | | Release date: | 2014-07-02 | | Last modified: | 2020-02-19 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-assisted discovery of the first non-retinoid ligands for Retinol-Binding Protein 4.
Bioorg.Med.Chem.Lett., 24, 2014
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8SLR
 | | Crystal Structure of mouse TRAIL | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Pedersen, L.C, Xu, D. | | Deposit date: | 2023-04-24 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Heparan sulfate promotes TRAIL-induced tumor cell apoptosis.
Elife, 12, 2024
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6DXU
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7Y90
 | | Crystal Structure Analysis of cp1 bound BCL2 | | Descriptor: | (2R)-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid, Apoptosis regulator Bcl-2, cp1 peptide | | Authors: | Li, F.W. | | Deposit date: | 2022-06-24 | | Release date: | 2023-11-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
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4PSQ
 | | Crystal Structure of Retinol-Binding Protein 4 (RBP4) in complex with a non-retinoid ligand | | Descriptor: | (1-benzyl-1H-imidazol-4-yl)[4-(2-chlorophenyl)piperazin-1-yl]methanone, 1,2-ETHANEDIOL, PHOSPHATE ION, ... | | Authors: | Wang, Z, Johnstone, S, Walker, N. | | Deposit date: | 2014-03-07 | | Release date: | 2014-07-02 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-assisted discovery of the first non-retinoid ligands for Retinol-Binding Protein 4.
Bioorg.Med.Chem.Lett., 24, 2014
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4CBK
 | | The c-ring ion binding site of the ATP synthase from Bacillus pseudofirmus OF4 is adapted to alkaliphilic cell physiology | | Descriptor: | ATP SYNTHASE SUBUNIT C, DODECYL-BETA-D-MALTOSIDE, SODIUM ION, ... | | Authors: | Preiss, L, Yildiz, O, Meier, T. | | Deposit date: | 2013-10-14 | | Release date: | 2014-04-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | The C-Ring Ion-Binding Site of the ATP Synthase from Bacillus Pseudofirmus of4 is Adapted to Alkaliphilic Lifestyle.
Mol.Microbiol., 92, 2014
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7E5Y
 | | Molecular basis for neutralizing antibody 2B11 targeting SARS-CoV-2 RBD | | Descriptor: | 2B11 Fab Heavy chain, 2B11 Fab Light chain, Spike protein S1 | | Authors: | Wu, H, Yu, F, Wang, Q.S, Zhou, H, Wang, W.W, Zhao, T, Pan, Y.B, Yang, X.M. | | Deposit date: | 2021-02-21 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.59 Å) | | Cite: | Screening of potent neutralizing antibodies against SARS-CoV-2 using convalescent patients-derived phage-display libraries.
Cell Discov, 7, 2021
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4FHZ
 | | Crystal structure of a carboxyl esterase at 2.0 angstrom resolution | | Descriptor: | DI(HYDROXYETHYL)ETHER, Phospholipase/Carboxylesterase, SODIUM ION | | Authors: | Wu, L, Ma, J, Zhou, J, Yu, H. | | Deposit date: | 2012-06-07 | | Release date: | 2012-10-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Enhanced enantioselectivity of a carboxyl esterase from Rhodobacter sphaeroides by directed evolution.
Appl.Microbiol.Biotechnol., 97, 2013
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7V6G
 | | Structure of Candida albicans Fructose-1,6-bisphosphate aldolase mutation C157S with CN39 | | Descriptor: | 1,2-ETHANEDIOL, Fructose-bisphosphate aldolase, ZINC ION, ... | | Authors: | Cao, H, Huang, Y, Chen, H, Wan, C, Ren, Y, Wan, J. | | Deposit date: | 2021-08-20 | | Release date: | 2022-02-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.343 Å) | | Cite: | Structure-Guided Discovery of the Novel Covalent Allosteric Site and Covalent Inhibitors of Fructose-1,6-Bisphosphate Aldolase to Overcome the Azole Resistance of Candidiasis.
J.Med.Chem., 65, 2022
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7V6F
 | | Structure of Candida albicans Fructose-1,6-bisphosphate aldolase complexed with G3P | | Descriptor: | Fructose-bisphosphate aldolase, GLYCERALDEHYDE-3-PHOSPHATE, ZINC ION | | Authors: | Hongxuan, C, Huang, Y, Han, C, Chen, W, Ren, Y, Wan, J. | | Deposit date: | 2021-08-20 | | Release date: | 2022-02-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | Structure-Guided Discovery of the Novel Covalent Allosteric Site and Covalent Inhibitors of Fructose-1,6-Bisphosphate Aldolase to Overcome the Azole Resistance of Candidiasis.
J.Med.Chem., 65, 2022
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4CBJ
 | | The c-ring ion binding site of the ATP synthase from Bacillus pseudofirmus OF4 is adapted to alkaliphilic cell physiology | | Descriptor: | ATP SYNTHASE SUBUNIT C, DODECYL-BETA-D-MALTOSIDE, TRIS(HYDROXYETHYL)AMINOMETHANE, ... | | Authors: | Preiss, L, Yildiz, O, Meier, T. | | Deposit date: | 2013-10-14 | | Release date: | 2014-05-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The C-Ring Ion-Binding Site of the ATP Synthase from Bacillus Pseudofirmus of4 is Adapted to Alkaliphilic Lifestyle.
Mol.Microbiol., 92, 2014
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7TXM
 | | Oxidized Structure of RexT | | Descriptor: | HYDROGEN PEROXIDE, Transcriptional regulator | | Authors: | Bridwell-Rabb, J, Li, B. | | Deposit date: | 2022-02-09 | | Release date: | 2022-03-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Structural and mechanistic basis for redox sensing by the cyanobacterial transcription regulator RexT.
Commun Biol, 5, 2022
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7TXO
 | | Selenomethionine Labeled Structure of RexT | | Descriptor: | CHLORIDE ION, Transcriptional regulator | | Authors: | Bridwell-Rabb, J, Li, B. | | Deposit date: | 2022-02-09 | | Release date: | 2022-03-23 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and mechanistic basis for redox sensing by the cyanobacterial transcription regulator RexT.
Commun Biol, 5, 2022
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7TXN
 | | Reduced Structure of RexT | | Descriptor: | CHLORIDE ION, GLYCEROL, Transcriptional regulator | | Authors: | Bridwell-Rabb, J, Li, B. | | Deposit date: | 2022-02-09 | | Release date: | 2022-03-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural and mechanistic basis for redox sensing by the cyanobacterial transcription regulator RexT.
Commun Biol, 5, 2022
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6D7J
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3QQ4
 | | Crystal structure of swine major histocompatibility complex class I SLA-1 0401 and identification of 2009 pandemic swine-origin influenza A H1N1 virus cytotoxic T lymphocyte epitope peptides | | Descriptor: | Beta-2-microglobulin, MHC class I antigen, VP35 | | Authors: | Zhang, N, Qi, J, Gao, F, Pan, X, Chen, R, Li, Q, Chen, Z, Li, X, Xia, C, Gao, G.F. | | Deposit date: | 2011-02-15 | | Release date: | 2011-12-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.097 Å) | | Cite: | Crystal structure of swine major histocompatibility complex class I SLA-1 0401 and identification of 2009 pandemic swine-origin influenza A H1N1 virus cytotoxic T lymphocyte epitope peptides.
J.Virol., 85, 2011
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7YSX
 | | Crystal structure of PDE4D complexed with licoisoflavone A | | Descriptor: | 1,2-ETHANEDIOL, 3-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one, MAGNESIUM ION, ... | | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | | Deposit date: | 2022-08-13 | | Release date: | 2023-07-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Bioactive compounds from Huashi Baidu decoction possess both antiviral and anti-inflammatory effects against COVID-19.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7YQF
 | | Crystal structure of PDE4D complexed with glycyrrhisoflavone | | Descriptor: | 1,2-ETHANEDIOL, 3-[3-(3-methylbut-2-enyl)-4,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one, MAGNESIUM ION, ... | | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | | Deposit date: | 2022-08-06 | | Release date: | 2023-07-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Bioactive compounds from Huashi Baidu decoction possess both antiviral and anti-inflammatory effects against COVID-19.
Proc.Natl.Acad.Sci.USA, 120, 2023
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1UT6
 | | Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with N-9-(1',2',3',4'-Tetrahydroacridinyl)-1,8- diaminooctane at 2.4 angstroms resolution. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-1,8-DIAMINOOCTANE | | Authors: | Brumshtein, B, Wong, D.M, Greenblatt, H.M, Carlier, P.R, Pang, Y.-P, Silman, I, Sussman, J.L. | | Deposit date: | 2003-12-04 | | Release date: | 2005-04-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Complexes of Alkylene-Linked Tacrine Dimers with Torpedo Californica Acetylcholinesterase: Binding of Bis(5)-Tacrine Produces a Dramatic Rearrangement in the Active-Site Gorge.
J.Med.Chem., 49, 2006
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3QQ3
 | | Crystal structure of swine major histocompatibility complex class I SLA-1 0401 and identification of 2009 pandemic swine-origin influenza A H1N1 virus cytotoxic T lymphocyte epitope peptides | | Descriptor: | 9-mer peptide from Neuraminidase, Beta-2-microglobulin, MHC class I antigen | | Authors: | Zhang, N, Qi, J, Gao, F, Pan, X, Chen, R, Li, Q, Chen, Z, Li, X, Xia, C, Gao, G.F. | | Deposit date: | 2011-02-15 | | Release date: | 2011-12-28 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Crystal structure of swine major histocompatibility complex class I SLA-1 0401 and identification of 2009 pandemic swine-origin influenza A H1N1 virus cytotoxic T lymphocyte epitope peptides.
J.Virol., 85, 2011
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4FTW
 | | Crystal structure of a carboxyl esterase N110C/L145H at 2.3 angstrom resolution | | Descriptor: | 3-CYCLOHEXYLPROPYL 4-O-ALPHA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE, CHLORIDE ION, PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID), ... | | Authors: | Wu, L, Ma, J, Zhou, J, Yu, H. | | Deposit date: | 2012-06-28 | | Release date: | 2012-10-03 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Enhanced enantioselectivity of a carboxyl esterase from Rhodobacter sphaeroides by directed evolution.
Appl.Microbiol.Biotechnol., 97, 2013
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3OQ1
 | | Crystal Structure of 11beta-Hydroxysteroid Dehydrogenase-1 (11b-HSD1) in Complex with Diarylsulfone Inhibitor | | Descriptor: | 3-(2-fluoroethyl)-4-({4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl}sulfonyl)benzonitrile, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Wang, Z, Sudom, A, Walker, N.P. | | Deposit date: | 2010-09-02 | | Release date: | 2011-07-20 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The synthesis and SAR of novel diarylsulfone 11beta-HSD1 inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
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4EGX
 | | Crystal structure of KIF1A CC1-FHA tandem | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Kinesin-like protein KIF1A | | Authors: | Yu, J, Huo, L, Yue, Y, Xu, T, Zhang, M, Feng, W. | | Deposit date: | 2012-04-02 | | Release date: | 2012-10-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | The CC1-FHA Tandem as a Central Hub for Controlling the Dimerization and Activation of Kinesin-3 KIF1A
Structure, 20, 2012
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2BVU
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2JN0
 | | Solution NMR structure of the ygdR protein from Escherichia coli. Northeast Structural Genomics target ER382A. | | Descriptor: | Hypothetical lipoprotein ygdR | | Authors: | Rossi, P, Chen, C.X, Jiang, M, Cunningham, K, Ma, L, Xiao, R, Liu, J.C, Baran, M, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2006-12-15 | | Release date: | 2007-05-01 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure of the ygdR protein from Escherichia coli. Northeast Structural Genomics target ER382A.
To be Published
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