2WMT
 
 | | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | | Descriptor: | 2-(methylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-imidazol-4-ol, SERINE/THREONINE-PROTEIN KINASE CHK1 | | Authors: | Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I. | | Deposit date: | 2009-07-03 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
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2WMV
 | | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | | Descriptor: | 1-[(2S)-4-(7H-PURIN-6-YL)MORPHOLIN-2-YL]METHANAMINE, SERINE/THREONINE-PROTEIN KINASE CHK1 | | Authors: | Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I. | | Deposit date: | 2009-07-03 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.009 Å) | | Cite: | Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
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2WK6
 | | Structural features of native human thymidine phosphorylase and in complex with 5-iodouracil | | Descriptor: | 5-IODOURACIL, THYMIDINE PHOSPHORYLASE | | Authors: | Mitsiki, E, Papageorgiou, A.C, Iyer, S, Thiyagarajan, N, Prior, S.H, Sleep, D, Finnis, C, Acharya, K.R. | | Deposit date: | 2009-06-05 | | Release date: | 2009-07-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of Native Human Thymidine Phosphorylase and in Complex with 5-Iodouracil.
Biochem.Biophys.Res.Commun., 386, 2009
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2WKR
 | | Structure of a photoactivatable Rac1 containing the Lov2 C450M Mutant | | Descriptor: | CHLORIDE ION, FLAVIN MONONUCLEOTIDE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Wu, Y.I, Frey, D, Lungu, O.I, Jaehrig, A, Schlichting, I, Kuhlman, B, Hahn, K.M. | | Deposit date: | 2009-06-16 | | Release date: | 2009-08-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A Genetically Encoded Photoactivatable Rac Controls the Motility of Living Cells.
Nature, 461, 2009
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8QE4
 | | Formation of left-handed helices by C2'-fluorinated nucleic acids under physiological salt conditions | | Descriptor: | DNA (5'-D(*CP*(FRG)P*CP*(FRG)P*CP*(FRG))-3') | | Authors: | El-Khoury, R, Cabrero, C, Movilla, S, Friedland, D, Thorpe, J.D, Roman, M, Orozco, M, Gonzalez, C, Damha, M. | | Deposit date: | 2023-08-30 | | Release date: | 2024-06-26 | | Last modified: | 2024-07-31 | | Method: | SOLUTION NMR | | Cite: | Formation of left-handed helices by C2'-fluorinated nucleic acids under physiological salt conditions.
Nucleic Acids Res., 52, 2024
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2WMP
 | | Structure of the E. coli chaperone PapD in complex with the pilin domain of the PapGII adhesin | | Descriptor: | CHAPERONE PROTEIN PAPD, PAPG PROTEIN | | Authors: | Ford, B.A, Verger, D, Elam, J.S, Dodson, K.W, Pinkner, J.S, Hultgren, S.J. | | Deposit date: | 2009-07-02 | | Release date: | 2010-08-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the Papd-Papgii Pilin Complex Reveals an Open and Flexible P5 Pocket.
J.Bacteriol., 194, 2012
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2UZX
 | | Structure of the human receptor tyrosine kinase Met in complex with the Listeria monocytogenes invasion protein InlB: Crystal form I | | Descriptor: | HEPATOCYTE GROWTH FACTOR RECEPTOR, INTERNALIN B | | Authors: | Niemann, H.H, Jager, V, Butler, P.J.G, Van Den Heuvel, J, Schmidt, S, Ferraris, D, Gherardi, E, Heinz, D.W. | | Deposit date: | 2007-05-02 | | Release date: | 2007-08-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of the Human Receptor Tyrosine Kinase met in Complex with the Listeria Invasion Protein Inlb
Cell(Cambridge,Mass.), 130, 2007
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1MOG
 | | Crystal structure of H. salinarum dodecin | | Descriptor: | CHLORIDE ION, Dodecin, MAGNESIUM ION, ... | | Authors: | Bieger, B, Essen, L.-O, Oesterhelt, D. | | Deposit date: | 2002-09-09 | | Release date: | 2003-04-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of Halophilic Dodecin: A Novel, Dodecameric Flavin Binding Protein from Halobacterium salinarum
Structure, 11, 2003
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3OV9
 | | Structure of the Nucleoprotein from Rift Valley Fever Virus | | Descriptor: | NITRITE ION, Nucleoprotein, SODIUM ION | | Authors: | Ferron, F, Danek, E.I, Li, Z, Luo, D, Wong, Y.H, Coutard, B, Lantez, V, Charrel, R, Canard, B, Walz, T, Lescar, J. | | Deposit date: | 2010-09-16 | | Release date: | 2011-05-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The hexamer structure of Rift Valley fever virus nucleoprotein suggests a mechanism for its assembly into ribonucleoprotein complexes
Plos Pathog., 7, 2011
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2VH0
 | | Structure and property based design of factor Xa inhibitors:biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs | | Descriptor: | 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-2-oxopyrrolidin-3-yl]ethanesulfonamide, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN, ... | | Authors: | Young, R.J, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chan, C, Charbaut, M, Convery, M.A, Diallo, H, Hortense, E, Irving, W.R, Kelly, H.A, King, N.P, Kleanthous, S, Mason, A.M, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Zhou, P. | | Deposit date: | 2007-11-16 | | Release date: | 2008-11-25 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure and property based design of factor Xa inhibitors: biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs.
Bioorg. Med. Chem. Lett., 18, 2008
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1MOP
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2VLD
 | | crystal structure of a repair endonuclease from Pyrococcus abyssi | | Descriptor: | Endonuclease NucS | | Authors: | Ren, B, Kuhn, J, Meslet-Cladiere, L, Briffotaux, J, Norais, C, Lavigne, R, Flament, D, Ladenstein, R, Myllykallio, H. | | Deposit date: | 2008-01-14 | | Release date: | 2009-05-19 | | Last modified: | 2018-09-26 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure and function of a novel endonuclease acting on branched DNA substrates.
EMBO J., 28, 2009
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8QOR
 | | Formation of left-handed helices by C2'-fluorinated nucleic acids under physiological salt conditions | | Descriptor: | DNA (5'-D(*(CFL)P*(FRG)P*(CFL)P*(FRG)P*(CFL)P*(FRG))-3') | | Authors: | El-Khoury, R, Cabrero, C, Movilla, S, Friedland, D, Thorpe, J.D, Roman, M, Orozco, M, Gonzalez, C, Damha, M. | | Deposit date: | 2023-09-29 | | Release date: | 2024-06-26 | | Last modified: | 2024-07-31 | | Method: | SOLUTION NMR | | Cite: | Formation of left-handed helices by C2'-fluorinated nucleic acids under physiological salt conditions.
Nucleic Acids Res., 52, 2024
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1MPZ
 | | NMR solution structure of native Viperidae lebetina obtusa protein | | Descriptor: | Obtustatin | | Authors: | Moreno-Murciano, M.P, Monleon, D, Marcinkiewicz, C, Calvete, J.J, Celda, B. | | Deposit date: | 2002-09-13 | | Release date: | 2003-02-11 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | NMR Solution Structure of the Non-RGD Disintegrin Obtustatin
J.Mol.Biol., 329, 2003
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8RWK
 | | cryoEM structure of the central Ald4 filament determined by FilamentID | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Potassium-activated aldehyde dehydrogenase, mitochondrial | | Authors: | Hugener, J, Xu, J, Wettstein, R, Ioannidi, L, Velikov, D, Wollweber, F, Henggeler, A, Matos, J, Pilhofer, M. | | Deposit date: | 2024-02-05 | | Release date: | 2024-06-26 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | FilamentID reveals the composition and function of metabolic enzyme polymers during gametogenesis.
Cell, 187, 2024
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2VIN
 | | Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator | | Descriptor: | (2R)-1-(2,6-dimethylphenoxy)propan-2-amine, ACETATE ION, SULFATE ION, ... | | Authors: | Frederickson, M, Callaghan, O, Chessari, G, Congreve, M, Cowan, S.R, Matthews, J.E, McMenamin, R, Smith, D, Vinkovic, M, Wallis, N.G. | | Deposit date: | 2007-12-05 | | Release date: | 2008-01-22 | | Last modified: | 2017-07-05 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator
J.Med.Chem., 51, 2008
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8RWJ
 | | cryoEM structure of Acs1 filament determined by FilamentID | | Descriptor: | Acetyl-coenzyme A synthetase, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] ethanoate | | Authors: | Hugener, J, Xu, J, Wettstein, R, Ioannidi, L, Velikov, D, Wollweber, F, Henggeler, A, Matos, J, Pilhofer, M. | | Deposit date: | 2024-02-05 | | Release date: | 2024-06-26 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | FilamentID reveals the composition and function of metabolic enzyme polymers during gametogenesis.
Cell, 187, 2024
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2VHY
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3OZZ
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1MOW
 | | E-DreI | | Descriptor: | 5'-D(*CP*CP*AP*AP*AP*CP*TP*GP*TP*CP*TP*CP*AP*AP*GP*TP*TP*CP*CP*GP*GP*CP*G)-3', 5'-D(*CP*GP*CP*CP*GP*GP*AP*AP*CP*TP*TP*GP*AP*GP*AP*CP*AP*GP*TP*TP*TP*GP*G)-3', GLYCEROL, ... | | Authors: | Chevalier, B.S, Kortemme, T, Chadsey, M.S, Baker, D, Monnat Jr, R.J, Stoddard, B.L. | | Deposit date: | 2002-09-10 | | Release date: | 2002-11-29 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Design, Activity and Structure of a Highly Specific Artificial Endonuclease
Mol.Cell, 10, 2002
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1MPU
 | | Crystal Structure of the free human NKG2D immunoreceptor | | Descriptor: | NKG2-D type II integral membrane protein, PHOSPHATE ION | | Authors: | McFarland, B.J, Kortemme, T, Baker, D, Strong, R.K. | | Deposit date: | 2002-09-12 | | Release date: | 2003-04-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Symmetry Recognizing Asymmetry: Analysis of the Interactions between the C-Type Lectin-like Immunoreceptor NKG2D and MHC
Class I-like Ligands
Structure, 11, 2003
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3OWQ
 | | X-Ray Structure of Lin1025 protein from Listeria innocua, Northeast Structural Genomics Consortium Target LkR164 | | Descriptor: | DI(HYDROXYETHYL)ETHER, Lin1025 protein | | Authors: | Kuzin, A, Su, M, Lew, S, Seetharaman, J, Patel, P, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-09-20 | | Release date: | 2010-10-20 | | Last modified: | 2012-02-22 | | Method: | X-RAY DIFFRACTION (2.606 Å) | | Cite: | Northeast Structural Genomics Consortium Target LkR164
To be published
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4CS3
 | | Catalytic domain of Pyrrolysyl-tRNA synthetase mutant Y306A, Y384F in complex with an adenylated furan-bearing noncanonical amino acid and pyrophosphate | | Descriptor: | 1,2-ETHANEDIOL, 2-(furan-2-yl)ethyl hydrogen carbonate, ADENOSINE MONOPHOSPHATE, ... | | Authors: | Schmidt, M.J, Weber, A, Pott, M, Welte, W, Summerer, D. | | Deposit date: | 2014-03-04 | | Release date: | 2014-04-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.499 Å) | | Cite: | Structural Basis of Furan-Amino Acid Recognition by a Polyspecific Aminoacyl-tRNA-Synthetase and its Genetic Encoding in Human Cells.
Chembiochem, 15, 2014
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1LXL
 | | NMR STRUCTURE OF BCL-XL, AN INHIBITOR OF PROGRAMMED CELL DEATH, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | BCL-XL | | Authors: | Muchmore, S.W, Sattler, M, Liang, H, Meadows, R.P, Harlan, J.E, Yoon, H.S, Nettesheim, D, Chang, B.S, Thompson, C.B, Wong, S.L, Ng, S.C, Fesik, S.W. | | Deposit date: | 1996-04-04 | | Release date: | 1997-04-21 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | X-ray and NMR structure of human Bcl-xL, an inhibitor of programmed cell death.
Nature, 381, 1996
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2VLP
 | | R54A mutant of E9 DNase domain in complex with Im9 | | Descriptor: | COLICIN E9, COLICIN-E9 IMMUNITY PROTEIN, MALONIC ACID | | Authors: | Keeble, A.H, Joachimiak, L.A, Mate, M.J, Meenan, N, Kirkpatrick, N, Baker, D, Kleanthous, C. | | Deposit date: | 2008-01-15 | | Release date: | 2008-05-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Experimental and Computational Analyses of the Energetic Basis for Dual Recognition of Immunity Proteins by Colicin Endonucleases.
J.Mol.Biol., 379, 2008
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