3I7Y
 
 | | High pressure structure of I106A variant of RNase A (0.48 GPa) | | Descriptor: | CHLORIDE ION, Ribonuclease pancreatic | | Authors: | Lewinski, K, Kurpiewska, K, Dziubek, K, Katrusiak, A, Font, J, Ribo, M, Vilanova, M. | | Deposit date: | 2009-07-09 | | Release date: | 2009-08-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural investigation of ribonuclease A conformational preferences using high pressure protein crystallography
Chem.Phys., 468, 2016
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4D7R
 | | Crystal structure of a chimeric protein with the Sec7 domain of Rickettsia prowazekii RalF and the capping domain of Legionella pneumophila RalF | | Descriptor: | PROLINE/BETAINE TRANSPORTER, RALF | | Authors: | Folly-Klan, M, Sancerne, B, Alix, E, Roy, C.R, Cherfils, J, Campanacci, V. | | Deposit date: | 2014-11-27 | | Release date: | 2015-01-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | On the Use of Legionella/Rickettsia Chimeras to Investigate the Structure and Regulation of Rickettsia Effector Ralf.
J.Struct.Biol., 189, 2015
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4O44
 | | Crystal Structure of HIV-1 Reverse Transcriptase in complex with 4-((4-(mesitylamino)-6-(3-morpholinopropoxy)-1,3,5-triazin-2-yl)amino)benzonitrile (JLJ529), a non-nucleoside inhibitor | | Descriptor: | 4-({4-[3-(morpholin-4-yl)propoxy]-6-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile, HIV-1 reverse transcriptase, p51 subunit, ... | | Authors: | Mislak, A.C, Frey, K.M, Anderson, K.S. | | Deposit date: | 2013-12-18 | | Release date: | 2014-05-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.889 Å) | | Cite: | A mechanistic and structural investigation of modified derivatives of the diaryltriazine class of NNRTIs targeting HIV-1 reverse transcriptase.
Biochim.Biophys.Acta, 1840, 2014
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4O68
 | | Structure of human cyclic GMP-AMP synthase (cGAS) | | Descriptor: | Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Zhang, X, Chen, Z, Zhang, X.W, Chen, Z.J. | | Deposit date: | 2013-12-20 | | Release date: | 2014-02-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.436 Å) | | Cite: | The Cytosolic DNA Sensor cGAS Forms an Oligomeric Complex with DNA and Undergoes Switch-like Conformational Changes in the Activation Loop.
Cell Rep, 6, 2014
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3MD7
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4HBP
 | | Crystal Structure of FAAH in complex with inhibitor | | Descriptor: | 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(pyridin-3-yl)piperazine-1-carboxamide, Fatty-acid amide hydrolase 1 | | Authors: | Behnke, C, Skene, R.J. | | Deposit date: | 2012-09-28 | | Release date: | 2013-02-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Synthesis, SAR study, and biological evaluation of a series of piperazine ureas as fatty acid amide hydrolase (FAAH) inhibitors.
Bioorg.Med.Chem., 21, 2013
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6KAC
 | | Cryo-EM structure of the C2S2-type PSII-LHCII supercomplex from Chlamydomonas reihardtii | | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | | Authors: | Sheng, X, Li, A.J, Song, D.F, Liu, Z.F. | | Deposit date: | 2019-06-21 | | Release date: | 2019-10-23 | | Last modified: | 2019-12-25 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural insight into light harvesting for photosystem II in green algae.
Nat.Plants, 5, 2019
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4H43
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3V2I
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4HF4
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5A90
 | | 100K Neutron Ligand Free: Exploring the Mechanism of beta-Lactam Ring Protonation in the Class A beta-lactamase Acylation Mechanism Using Neutron and X-ray Crystallography | | Descriptor: | BETA-LACTAMASE CTX-M-97 | | Authors: | Vandavasi, V.G, Weiss, K.L, Cooper, J.B, Erskine, P.T, Tomanicek, S.J, Ostermann, A, Schrader, T.E, Ginell, S.L, Coates, L. | | Deposit date: | 2015-07-17 | | Release date: | 2015-12-16 | | Last modified: | 2024-05-08 | | Method: | NEUTRON DIFFRACTION (1.7 Å) | | Cite: | Exploring the Mechanism of Beta-Lactam Ring Protonation in the Class a Beta-Lactamase Acylation Mechanism Using Neutron and X-Ray Crystallography.
J.Med.Chem., 59, 2016
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7EW4
 | | Cryo-EM structure of CYM-5541-bound Sphingosine 1-phosphate receptor 3 in complex with Gi protein | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | Zhao, C, Wang, W, Wang, H.L, Shao, Z.H. | | Deposit date: | 2021-05-24 | | Release date: | 2021-09-29 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural insights into sphingosine-1-phosphate recognition and ligand selectivity of S1PR3-Gi signaling complexes.
Cell Res., 32, 2022
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4CU6
 | | Unravelling the multiple functions of the architecturally intricate Streptococcus pneumoniae beta-galactosidase, BgaA | | Descriptor: | 1,2-ETHANEDIOL, BETA-GALACTOSIDASE, SULFATE ION | | Authors: | Singh, A.K, Pluvinage, B, Higgins, M.A, Dalia, A.B, Flynn, M, Lloyd, A.R, Weiser, J.N, Stubbs, K.A, Boraston, A.B, King, S.J. | | Deposit date: | 2014-03-17 | | Release date: | 2014-08-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Unravelling the Multiple Functions of the Architecturally Intricate Streptococcus Pneumoniae Beta-Galactosidase, Bgaa.
Plos Pathog., 10, 2014
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2VEF
 | | Dihydropteroate synthase from Streptococcus pneumoniae | | Descriptor: | DIHYDROPTEROATE SYNTHASE, PHOSPHATE ION | | Authors: | Derrick, J.P, Levy, C. | | Deposit date: | 2007-10-24 | | Release date: | 2008-03-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Dihydropteroate Synthase from Streptococcus Pneumoniae: Structure, Ligand Recognition and Mechanism of Sulfonamide Resistance.
Biochem.J., 412, 2008
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6HI9
 | | PI3 Kinase Delta in complex with 3[6(oxan4yl)pyridin2yl]phenol | | Descriptor: | 3-[6-(oxan-4-yl)pyridin-2-yl]phenol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Convery, M.A, Summers, D, Peace, S. | | Deposit date: | 2018-08-29 | | Release date: | 2019-09-11 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | A theoretical and experimental investigation into the conformational bias of aryl cyclopropylpyrans, novel bioisosteres for N-aryl morpholines.
To be published
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7EW2
 | | Cryo-EM structure of pFTY720-bound Sphingosine 1-phosphate receptor 3 in complex with Gi protein | | Descriptor: | (2~{S})-2-azanyl-4-(4-octylphenyl)-2-[[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]butan-1-ol, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Zhao, C, Wang, W, Wang, H.L, Shao, Z.H. | | Deposit date: | 2021-05-24 | | Release date: | 2021-09-29 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insights into sphingosine-1-phosphate recognition and ligand selectivity of S1PR3-Gi signaling complexes.
Cell Res., 32, 2022
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3UP1
 | | Crystal structure of the unliganded human interleukin-7 receptor extracellular domain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | McElroy, C.A, Holland, P.J, Walsh, S.T.R. | | Deposit date: | 2011-11-17 | | Release date: | 2012-02-08 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural reorganization of the interleukin-7 signaling complex.
Proc.Natl.Acad.Sci.USA, 109, 2012
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7EW3
 | | Cryo-EM structure of S1P-bound Sphingosine 1-phosphate receptor 3 in complex with Gi protein | | Descriptor: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Zhao, C, Wang, W, Wang, H.L, Shao, Z.H. | | Deposit date: | 2021-05-24 | | Release date: | 2021-09-29 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insights into sphingosine-1-phosphate recognition and ligand selectivity of S1PR3-Gi signaling complexes.
Cell Res., 32, 2022
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6HQY
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with PCI-34051 | | Descriptor: | 1-[(4-methoxyphenyl)methyl]-~{N}-oxidanyl-indole-6-carboxamide, GLYCEROL, Histone deacetylase, ... | | Authors: | Marek, M, Shaik, T.B, Romier, C. | | Deposit date: | 2018-09-25 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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3WV7
 | | HcgE from Methanothermobacter marburgensis | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Hmd co-occurring protein HcgE | | Authors: | Fujishiro, T, Ermler, U, Shima, S. | | Deposit date: | 2014-05-16 | | Release date: | 2015-04-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Protein-pyridinol thioester precursor for biosynthesis of the organometallic acyl-iron ligand in [Fe]-hydrogenase cofactor
Nat Commun, 6, 2015
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4HZ2
 | | Crystal structure of glutathione s-transferase xaut_3756 (target efi-507152) from xanthobacter autotrophicus py2 | | Descriptor: | BENZOIC ACID, GLUTATHIONE, Glutathione S-transferase domain, ... | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Al Obaidi, N.F, Stead, M, Love, J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-11-14 | | Release date: | 2012-11-28 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of glutathione s-transferase xaut_3756 from xanthobacter autotrophicus py2
To be Published
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4D0C
 | | COMPLEX OF A B21 CHICKEN MHC CLASS I MOLECULE AND A 10MER CHICKEN PEPTIDE | | Descriptor: | 1,2-ETHANEDIOL, 10MER PEPTIDE, BETA-2-MICROGLOBULIN, ... | | Authors: | Chappell, P.E, Roversi, P, Harrison, M.C, Mears, L.E, Kaufman, J.F, Lea, S.M. | | Deposit date: | 2014-04-25 | | Release date: | 2015-05-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Expression levels of MHC class I molecules are inversely correlated with promiscuity of peptide binding.
Elife, 4, 2015
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3I52
 | | Ternary complex structure of leucoanthocyanidin reductase from vitis vinifera | | Descriptor: | (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative leucoanthocyanidin reductase 1 | | Authors: | Mauge, C, Gargouri, M, d'Estaintot, B.L, Granier, T, Gallois, B. | | Deposit date: | 2009-07-03 | | Release date: | 2010-02-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Crystal structure and catalytic mechanism of leucoanthocyanidin reductase from Vitis vinifera.
J.Mol.Biol., 397, 2010
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4CQE
 | | B-Raf Kinase V600E mutant in complex with a diarylthiazole B-Raf Inhibitor | | Descriptor: | N-{4-[2-(1-cyclopropylpiperidin-4-yl)-4-(3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)-1,3-thiazol-5-yl]pyridin-2-yl}acetamide, SLC45A3-BRAF FUSION PROTEIN | | Authors: | Casale, E, Fasolini, M, Pulici, M, Traquandi, G, Marchionni, C, Modugno, M, Lupi, R, Amboldi, N, Colombo, N, Corti, L, Gasparri, F, Pastori, W, Scolaro, A, Donati, D, Felder, E, Galvani, A, Isacchi, A, Pesenti, E, Ciomei, M. | | Deposit date: | 2014-02-14 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Optimization of Diarylthiazole B-Raf Inhibitors: Identification of a Compound Endowed with High Oral Antitumor Activity, Mitigated Herg Inhibition, and Low Paradoxical Effect.
Chemmedchem, 10, 2015
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4CVZ
 | | COMPLEX OF A B21 CHICKEN MHC CLASS I MOLECULE AND A 10MER CHICKEN PEPTIDE | | Descriptor: | 1,2-ETHANEDIOL, BETA-2-MICROGLOBULIN, MAJOR HISTOCOMPATIBILITY COMPLEX CLASS I GLYCOPROTEIN HAPLOTYPE B21, ... | | Authors: | Chappell, P.E, Roversi, P, Harrison, M.C, Mears, L.E, Kaufman, J.F, Lea, S.M. | | Deposit date: | 2014-03-31 | | Release date: | 2015-05-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Expression levels of MHC class I molecules are inversely correlated with promiscuity of peptide binding.
Elife, 4, 2015
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