8Q9V
 
 | | S-methylthiourocanate hydratase from Variovorax sp. RA8 in complex with NAD+ and imidazolone propionate | | Descriptor: | 1,2-ETHANEDIOL, 3-[(4~{R})-5-oxidanylidene-1,4-dihydroimidazol-4-yl]propanoic acid, ACETIC ACID, ... | | Authors: | Vasseur, C.M, Seebeck, F.P. | | Deposit date: | 2023-08-21 | | Release date: | 2024-03-06 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and Substrate Specificity of S -Methyl Thiourocanate Hydratase.
Acs Chem.Biol., 19, 2024
|
|
8CZX
 | | Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 17d | | Descriptor: | 3C-like proteinase, TETRAETHYLENE GLYCOL, [(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, ... | | Authors: | Machen, A.J, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2022-05-25 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
|
|
8CZW
 | | Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 15d | | Descriptor: | 3C-like proteinase, TETRAETHYLENE GLYCOL, [(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, ... | | Authors: | Machen, A.J, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2022-05-25 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
|
|
5LK1
 | |
8G32
 | | Pro-form of a CDCL short from E. anophelis | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | | Authors: | Johnstone, B.A, Christie, M.P, Morton, C.J, Parker, M.W. | | Deposit date: | 2023-02-06 | | Release date: | 2024-02-07 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Distant relatives of a eukaryotic cell-specific toxin family evolved a complement-like mechanism to kill bacteria.
Nat Commun, 15, 2024
|
|
7VW6
 | | Cryo-EM Structure of Formate Dehydrogenase 1 from Methylorubrum extorquens AM1 | | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Yoshikawa, T, Makino, F, Miyata, T, Suzuki, Y, Tanaka, H, Namba, K, Sowa, K, Kitazumi, Y, Shirai, O. | | Deposit date: | 2021-11-09 | | Release date: | 2022-06-01 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (2.19 Å) | | Cite: | Multiple electron transfer pathways of tungsten-containing formate dehydrogenase in direct electron transfer-type bioelectrocatalysis.
Chem.Commun.(Camb.), 58, 2022
|
|
5LGJ
 | |
5LJX
 | |
1F4Z
 | | BACTERIORHODOPSIN-M PHOTOINTERMEDIATE STATE OF THE E204Q MUTANT AT 1.8 ANGSTROM RESOLUTION | | Descriptor: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, 2,10,23-TRIMETHYL-TETRACOSANE, BACTERIORHODOPSIN, ... | | Authors: | Luecke, H, Schobert, B, Cartailler, J.P, Richter, H.T, Rosengarth, A, Needleman, R, Lanyi, J.K. | | Deposit date: | 2000-06-10 | | Release date: | 2000-08-09 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Coupling photoisomerization of retinal to directional transport in bacteriorhodopsin.
J.Mol.Biol., 300, 2000
|
|
8SGD
 | | Crystal Structure of CDC3(G) - CDC10(Delta 1-10) heterocomplex from Saccharomyces cerevisiae | | Descriptor: | CDC10 isoform 1, CDC3 isoform 1, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Saladino, G.C.R, Leonardo, D.A, Pereira, H.M, Garratt, R.C. | | Deposit date: | 2023-04-12 | | Release date: | 2023-06-28 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | A key piece of the puzzle: The central tetramer of the Saccharomyces cerevisiae septin protofilament and its implications for self-assembly.
J.Struct.Biol., 215, 2023
|
|
6EMI
 | | Crystal structure of a variant of human butyrylcholinesterase expressed in bacteria. | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Cholinesterase, ... | | Authors: | Brazzolotto, X, Igert, A, Guillon, V, Santoni, G, Nachon, F. | | Deposit date: | 2017-10-02 | | Release date: | 2017-11-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.476 Å) | | Cite: | Bacterial Expression of Human Butyrylcholinesterase as a Tool for Nerve Agent Bioscavengers Development.
Molecules, 22, 2017
|
|
6EQ1
 | |
2BLX
 | | HEWL before a high dose x-ray "burn" | | Descriptor: | LYSOZYME C, TETRAETHYLENE GLYCOL | | Authors: | Nanao, M.H, Ravelli, R.B. | | Deposit date: | 2005-03-08 | | Release date: | 2005-09-07 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Improving Radiation-Damage Substructures for Rip.
Acta Crystallogr.,Sect.D, 61, 2005
|
|
8D3U
 | | Human alpha3 Na+/K+-ATPase in its Na+-occluded state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, FXYD domain-containing ion transport regulator 6, Sodium/potassium-transporting ATPase subunit alpha-3, ... | | Authors: | Nguyen, P.T, Bai, X. | | Deposit date: | 2022-06-01 | | Release date: | 2022-09-21 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural basis for gating mechanism of the human sodium-potassium pump.
Nat Commun, 13, 2022
|
|
6ENG
 | | Crystal structure of the 43K ATPase domain of Escherichia coli gyrase B in complex with an aminocoumarin | | Descriptor: | CHLORIDE ION, Coumermycin A1, DNA gyrase subunit B, ... | | Authors: | Vanden Broeck, A, McEwen, A.G, Lamour, V. | | Deposit date: | 2017-10-04 | | Release date: | 2019-04-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis for DNA Gyrase Interaction with Coumermycin A1.
J.Med.Chem., 62, 2019
|
|
1F50
 | | BACTERIORHODOPSIN-BR STATE OF THE E204Q MUTANT AT 1.7 ANGSTROM RESOLUTION | | Descriptor: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, 2,10,23-TRIMETHYL-TETRACOSANE, BACTERIORHODOPSIN, ... | | Authors: | Luecke, H, Schobert, B, Cartailler, J.P, Richter, H.T, Rosengarth, A, Needleman, R, Lanyi, J.K. | | Deposit date: | 2000-06-10 | | Release date: | 2000-08-09 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Coupling photoisomerization of retinal to directional transport in bacteriorhodopsin.
J.Mol.Biol., 300, 2000
|
|
1WUA
 | | The structure of Aplyronine A-actin complex | | Descriptor: | (8R,9R,10R,11R,14S,18S,20S,24S)-24-{(1R,2S,3R,6R,7R,8R,9S,10E)-8-(ACETYLOXY)-6-[(N,N-DIMETHYLALANYL)OXY]-11-[FORMYL(MET HYL)AMINO]-2-HYDROXY-1,3,7,9-TETRAMETHYLUNDEC-10-ENYL}-10-HYDROXY-14,20-DIMETHOXY-9,11,15,18-TETRAMETHYL-2-OXOOXACYCLOTE TRACOSA-3,5,15,21-TETRAEN-8-YL N,N,O-TRIMETHYLSERINATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | | Authors: | Hirata, K, Muraoka, S, Suenaga, K, Kuroda, T, Kato, K, Tanaka, H, Yamamoto, M, Takata, M, Yamada, K, Kigoshi, H. | | Deposit date: | 2004-12-03 | | Release date: | 2006-02-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure basis for antitumor effect of aplyronine a
J.Mol.Biol., 356, 2006
|
|
6AWZ
 | | Structure of PR-10 allergen from peanut (Ara h 8.01). | | Descriptor: | Ara h 8 allergen, SODIUM ION, TETRAETHYLENE GLYCOL | | Authors: | Offermann, L.R, Majorek, K, McBride, J, Hurlburt, B.K, Maleki, S.J, Pote, S.S, Chruszcz, M. | | Deposit date: | 2017-09-06 | | Release date: | 2018-09-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of PR-10 Allergen Ara h 8.01.
To Be Published
|
|
5LZ2
 | | Fragment-based inhibitors of Lipoprotein associated Phospholipase A2 | | Descriptor: | 3-cyano-~{N}-cyclopropyl-benzenesulfonamide, CHLORIDE ION, Platelet-activating factor acetylhydrolase, ... | | Authors: | Woolford, A, Day, P. | | Deposit date: | 2016-09-29 | | Release date: | 2016-12-21 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2).
J. Med. Chem., 59, 2016
|
|
8SE6
 | | NKG2D complexed with inhibitor 36 | | Descriptor: | N-[(1S)-2-(dimethylamino)-2-oxo-1-{3-[3-(2,2,2-trifluoroethyl)azetidin-1-yl]phenyl}ethyl]-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide, NKG2-D type II integral membrane protein, TETRAETHYLENE GLYCOL, ... | | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | | Deposit date: | 2023-04-08 | | Release date: | 2023-10-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Development of small molecule inhibitors of natural killer group 2D receptor (NKG2D).
Bioorg.Med.Chem.Lett., 96, 2023
|
|
5LZ7
 | | Fragment-based inhibitors of Lipoprotein associated Phospholipase A2 | | Descriptor: | 2-fluoranyl-5-[2-[(4~{R})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase | | Authors: | Woolford, A, Day, P. | | Deposit date: | 2016-09-29 | | Release date: | 2016-12-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2).
J. Med. Chem., 59, 2016
|
|
6O8V
 | |
2MIV
 | | NMR studies of N2-guanine adducts derived from the tumorigen dibenzo[a,l]pyrene in DNA: Impact of adduct stereochemistry, size, and local DNA structure on solution conformations | | Descriptor: | (11R,12R,13R)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol, DNA_(5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3'), DNA_(5'-D(*GP*GP*TP*AP*GP*GP*AP*TP*GP*G)-3') | | Authors: | Rodriguez, F.A, Liu, Z, Lin, C.H, Ding, S, Cai, Y, Kolbanovskiy, A, Kolbanovskiy, M, Amin, S, Broyde, S, Geacintov, N.E. | | Deposit date: | 2013-12-20 | | Release date: | 2014-04-02 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Nuclear Magnetic Resonance Studies of an N(2)-Guanine Adduct Derived from the Tumorigen Dibenzo[a,l]pyrene in DNA: Impact of Adduct Stereochemistry, Size, and Local DNA Sequence on Solution Conformations.
Biochemistry, 53, 2014
|
|
6PIB
 | | Structure of the Klebsiella pneumoniae LpxH-AZ1 complex | | Descriptor: | 1-[5-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-1-yl]ethan-1-one, MANGANESE (II) ION, TETRAETHYLENE GLYCOL, ... | | Authors: | Cho, J, Zhou, P. | | Deposit date: | 2019-06-26 | | Release date: | 2020-02-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structural basis of the UDP-diacylglucosamine pyrophosphohydrolase LpxH inhibition by sulfonyl piperazine antibiotics.
Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6F6A
 | | Crystal structure of glutathione transferase Omega 3S from Trametes versicolor in complex with dihydrowogonin from wild-cherry extract | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLUTATHIONE, ... | | Authors: | Schwartz, M, Favier, F, Didierjean, C. | | Deposit date: | 2017-12-05 | | Release date: | 2018-06-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Molecular recognition of wood polyphenols by phase II detoxification enzymes of the white rot Trametes versicolor.
Sci Rep, 8, 2018
|
|
