8WCK
 
 | | FCP tetramer in Chaetoceros gracilis | | Descriptor: | (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, CHLOROPHYLL A, Chlorophyll a/b-binding protein, ... | | Authors: | Feng, Y, Li, Z, Zhou, C, Shen, J.-R, Liu, C, Wang, W. | | Deposit date: | 2023-09-12 | | Release date: | 2024-07-31 | | Method: | ELECTRON MICROSCOPY (2.71 Å) | | Cite: | Structural and spectroscopic insights into fucoxanthin chlorophyll a/c-binding proteins of diatoms in diverse oligomeric states.
Plant Commun., 2024
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1UB3
 | | Crystal Structure of Tetrameric Structure of Aldolase from thermus thermophilus HB8 | | Descriptor: | 1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATE, Aldolase protein | | Authors: | Lokanath, N.K, Miyano, M, Yokoyama, S, Kuramitsu, S, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2003-03-28 | | Release date: | 2003-04-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure of aldolase from Thermus thermophilus HB8 showing the contribution of oligomeric state to thermostability.
Acta Crystallogr.,Sect.D, 60, 2004
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1PJ7
 | | Structure of dimethylglycine oxidase of Arthrobacter globiformis in complex with folinic acid | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, N,N-dimethylglycine oxidase, N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, ... | | Authors: | Leys, D, Basran, J, Scrutton, N.S. | | Deposit date: | 2003-06-01 | | Release date: | 2003-10-07 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Channelling and formation of 'active' formaldehyde in dimethylglycine oxidase.
Embo J., 22, 2003
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4BIM
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4DQ2
 | | Structure of staphylococcus aureus biotin protein ligase in complex with biotinol-5'-amp | | Descriptor: | ((2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHYL 5-((3AS,4S,6AR)-2-OXO-HEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL)PENTYL HYDROGEN PHOSPHATE, Biotin-[acetyl-CoA-carboxylase] ligase | | Authors: | Wilce, M, Yap, M, Pendini, N, Soares de Costa, T, Polyak, S, Tieu, W, Booker, G, Wallace, J. | | Deposit date: | 2012-02-14 | | Release date: | 2012-04-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Selective inhibition of biotin protein ligase from Staphylococcus aureus.
J.Biol.Chem., 287, 2012
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4DAN
 | | Crystal structure of the hexameric purine nucleoside phosphorylase from Bacillus subtilis in complex with 2-fluoroadenosine | | Descriptor: | 2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, Purine nucleoside phosphorylase deoD-type | | Authors: | Giuseppe, P.O, Martins, N.H, Meza, A.N, Murakami, M.T. | | Deposit date: | 2012-01-13 | | Release date: | 2012-09-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Insights into phosphate cooperativity and influence of substrate modifications on binding and catalysis of hexameric purine nucleoside phosphorylases.
Plos One, 7, 2012
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4DJH
 | | Structure of the human kappa opioid receptor in complex with JDTic | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (3R)-7-hydroxy-N-{(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, CITRIC ACID, ... | | Authors: | Wu, H, Wacker, D, Katritch, V, Mileni, M, Han, G.W, Vardy, E, Liu, W, Thompson, A.A, Huang, X.P, Carroll, F.I, Mascarella, S.W, Westkaemper, R.B, Mosier, P.D, Roth, B.L, Cherezov, V, Stevens, R.C, GPCR Network (GPCR) | | Deposit date: | 2012-02-01 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | tructure of the human kappa-opioid receptor in complex with JDTic
Nature, 485, 2012
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5ITZ
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2K4L
 | | Solution structure of a 2:1C2-(2-naphthyl)pyrrolo[2,1-c][1,4]benzodiazepine (PBD) DNA adduct: molecular basis for unexpectedly high DNA helix stabilization. | | Descriptor: | (11aS)-7,8-dimethoxy-2-naphthalen-2-yl-1,10,11,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one, 5'-D(*DAP*DAP*DTP*DCP*DTP*DTP*DTP*DAP*DAP*DAP*DGP*DAP*DTP*DT)-3' | | Authors: | Antonow, D, Barata, T, Jenkins, T.C, Parkinson, G.N, Howard, P.W, Thurston, D.E, Zloh, M. | | Deposit date: | 2008-06-13 | | Release date: | 2008-10-28 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a 2:1 C2-(2-naphthyl) pyrrolo[2,1-c][1,4]benzodiazepine DNA adduct: molecular basis for unexpectedly high DNA helix stabilization.
Biochemistry, 47, 2008
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2K8U
 | | Solution NMR structure of trans-4-hydroxynonenal derived dG adduct of (6S,8R,11S)-configuration matched with dC | | Descriptor: | (2S,5R)-5-pentyltetrahydrofuran-2-ol, 5'-D(*DGP*DCP*DTP*DAP*DGP*DCP*DGP*DAP*DGP*DTP*DCP*DC)-3', 5'-D(*DGP*DGP*DAP*DCP*DTP*DCP*DGP*DCP*DTP*DAP*DGP*DC)-3' | | Authors: | Huang, H, Wang, H, Qi, N, Lloyd, R.S, Rizzo, C.J, Stone, M.P. | | Deposit date: | 2008-09-23 | | Release date: | 2008-11-04 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The stereochemistry of trans-4-hydroxynonenal-derived exocyclic 1,N2-2'-deoxyguanosine adducts modulates formation of interstrand cross-links in the 5'-CpG-3' sequence.
Biochemistry, 47, 2008
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4DC3
 | | Adenosine kinase from Schistosoma mansoni in complex with 2-fluoroadenosine | | Descriptor: | 2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, ADENOSINE, Adenosine kinase, ... | | Authors: | Romanello, L, Bachega, F.R, Garatt, R.C, DeMarco, R, Brandao-neto, J, Pereira, H.M. | | Deposit date: | 2012-01-17 | | Release date: | 2012-11-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Adenosine kinase from Schistosoma mansoni: structural basis for the differential incorporation of nucleoside analogues.
Acta Crystallogr.,Sect.D, 69, 2013
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4DPF
 | | BACE-1 in complex with a HEA-macrocyclic type inhibitor | | Descriptor: | Beta-secretase 1, N-[(4S,8E,11S)-4-[(1R)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-2,13-dioxo-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraen-16-yl]-N-methylmethanesulfonamide | | Authors: | Lindberg, J, Borkakoti, N, Derbyshire, D. | | Deposit date: | 2012-02-13 | | Release date: | 2012-07-11 | | Last modified: | 2013-01-02 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Highly potent macrocyclic BACE-1 inhibitors incorporating a hydroxyethylamine core: design, synthesis and X-ray crystal structures of enzyme inhibitor complexes.
Bioorg.Med.Chem., 20, 2012
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5BNW
 | | The active site of O-GlcNAc transferase imposes constraints on substrate sequence | | Descriptor: | (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, laminB1 residues 179-191 | | Authors: | Pathak, S, Alonso, J, Schimpl, M, Rafie, K, Blair, D.E, Borodkin, V.S, Albarbarawi, O, van Aalten, D.M.F. | | Deposit date: | 2015-05-26 | | Release date: | 2015-08-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The active site of O-GlcNAc transferase imposes constraints on substrate sequence.
Nat.Struct.Mol.Biol., 22, 2015
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4DVL
 | | Crystal structure of the glycoprotein Erns from the pestivirus BVDV-1 in complex with 2'-3'-cyclo-UMP | | Descriptor: | 1-[(2S,3aS,4S,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidine-2,4( 1H,3H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Krey, T, Bontems, F, Vonrhein, C, Vaney, M.-C, Bricogne, G, Ruemenapf, T, Rey, F.A. | | Deposit date: | 2012-02-23 | | Release date: | 2012-05-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal Structure of the Pestivirus Envelope Glycoprotein E(rns) and Mechanistic Analysis of Its Ribonuclease Activity.
Structure, 20, 2012
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4MD1
 | | Orange species of bacteriorhodopsin from Halobacterium salinarum | | Descriptor: | (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene, 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, ... | | Authors: | Borshchevskiy, V, Erofeev, I, Round, E, Weik, M, Ishchenko, A, Gushchin, I, Mishin, A, Bueldt, G, Gordeliy, V. | | Deposit date: | 2013-08-22 | | Release date: | 2014-10-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Low-dose X-ray radiation induces structural alterations in proteins.
Acta Crystallogr.,Sect.D, 70, 2014
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4DMX
 | | Cathepsin K inhibitor | | Descriptor: | (1R,2R)-N-(1-cyanocyclopropyl)-2-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}cyclohexanecarboxamide, Cathepsin K, GLYCEROL | | Authors: | Dossetter, A.G, Beeley, H, Bowyer, J, Cook, C.R, Crawford, J.J, Finlayson, J.E, Heron, N.M, Heyes, C, Highton, A.J, Hudson, J.A, Kenny, P.W, Martin, S, MacFaul, P.A, McGuire, T.M, Gutierrez, P.M, Morley, A.D, Morris, J.J, Page, K.M, Rosenbrier Ribeiro, L, Sawney, H, Steinbacher, S, Krapp, S, Jestel, A, Smith, C, Vickers, M. | | Deposit date: | 2012-02-08 | | Release date: | 2012-07-11 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | (1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis.
J.Med.Chem., 55, 2012
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5JDX
 | | PigG holo | | Descriptor: | 4'-PHOSPHOPANTETHEINE, Putative peptidyl carrier protein | | Authors: | Jaremko, M.J, Lee, D.J, Burkart, M.D. | | Deposit date: | 2016-04-17 | | Release date: | 2017-08-23 | | Last modified: | 2019-12-04 | | Method: | SOLUTION NMR | | Cite: | PigG holo
To Be Published
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6W9U
 | | Structure of human MAIT A-F7 TCR in complex with patient MR1-R9H-Ac-6-FP | | Descriptor: | 1-[[6-(1-$l^{1}-oxidanylethyl)-4-$l^{3}-oxidanylidene-2,3,6,8~{a}-tetrahydropteridin-2-yl]-$l^{2}-azanyl]ethanone, Beta-2-microglobulin, CHLORIDE ION, ... | | Authors: | Awad, W, Rossjohn, J. | | Deposit date: | 2020-03-23 | | Release date: | 2020-08-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Absence of mucosal-associated invariant T cells in a person with a homozygous point mutation in MR1 .
Sci Immunol, 5, 2020
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2A5V
 | | Crystal structure of M. tuberculosis beta carbonic anhydrase, Rv3588c, tetrameric form | | Descriptor: | CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE), THIOCYANATE ION, ZINC ION | | Authors: | Covarrubias, A.S, Bergfors, T, Jones, T.A, Hogbom, M. | | Deposit date: | 2005-07-01 | | Release date: | 2005-09-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Mechanics of the pH-dependent Activity of beta-Carbonic Anhydrase from Mycobacterium tuberculosis
J.Biol.Chem., 281, 2006
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4MNG
 | | Structure of the DP10.7 TCR with CD1d-sulfatide | | Descriptor: | (15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ... | | Authors: | Luoma, A.M, Adams, E.J. | | Deposit date: | 2013-09-10 | | Release date: | 2013-12-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.0058 Å) | | Cite: | Crystal Structure of V delta 1 T Cell Receptor in Complex with CD1d-Sulfatide Shows MHC-like Recognition of a Self-Lipid by Human gamma delta T Cells.
Immunity, 39, 2013
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4MQ7
 | | Structure of human CD1d-sulfatide | | Descriptor: | (15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d, ... | | Authors: | Luoma, A.M, Adams, E.J. | | Deposit date: | 2013-09-15 | | Release date: | 2013-12-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6032 Å) | | Cite: | Crystal Structure of V delta 1 T Cell Receptor in Complex with CD1d-Sulfatide Shows MHC-like Recognition of a Self-Lipid by Human gamma delta T Cells.
Immunity, 39, 2013
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8I8R
 | | Cryo-EM Structure of OmpC3-MlaA Complex in MSP2N2 Nanodiscs | | Descriptor: | (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, Intermembrane phospholipid transport system lipoprotein MlaA, Outer membrane porin C | | Authors: | Yeow, J, Luo, M, Chng, S.S. | | Deposit date: | 2023-02-05 | | Release date: | 2023-12-20 | | Last modified: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (2.93 Å) | | Cite: | Molecular mechanism of phospholipid transport at the bacterial outer membrane interface.
Nat Commun, 14, 2023
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5BNI
 | | Porcine CD38 complexed with complexed with a covalent intermediate, ribo-F-ribose-5'-phosphate | | Descriptor: | Uncharacterized protein, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4S)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate | | Authors: | Ting, K.Y, Leung, C.F.P, Graeff, R.M, Lee, H.C, Hao, Q, Kotaka, M. | | Deposit date: | 2015-05-26 | | Release date: | 2016-05-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Porcine CD38 exhibits prominent secondary NAD(+) cyclase activity.
Protein Sci., 25, 2016
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4DEH
 | | Crystal structure of c-Met in complex with triazolopyridinone inhibitor 3 | | Descriptor: | 5-phenyl-3-(quinolin-6-ylmethyl)-3,5,6,7-tetrahydro-4H-[1,2,3]triazolo[4,5-c]pyridin-4-one, Hepatocyte growth factor receptor | | Authors: | Whittington, D.A, Bellon, S.F, Long, A.M. | | Deposit date: | 2012-01-20 | | Release date: | 2012-05-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery and optimization of a potent and selective triazolopyridinone series of c-Met inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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6WIH
 | | N-terminal mutation of ISCU2 (L35H36) traps Nfs1 Cys loop in the active site of ISCU2 without metal present. Structure of human mitochondrial complex Nfs1-ISCU2(L35H36)-ISD11 with E.coli ACP1 at 1.9 A resolution (NIAU)2. | | Descriptor: | 1,2-ETHANEDIOL, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, Acyl carrier protein, ... | | Authors: | Boniecki, M.T, Cygler, M. | | Deposit date: | 2020-04-09 | | Release date: | 2020-05-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The essential function of ISCU2 and its conserved N-terminus in Fe/S cluster biogenesis
To Be Published
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