4C3G
 
 | | cryo-EM structure of activated and oligomeric restriction endonuclease SgrAI | | Descriptor: | 5'-D(*CP*CP*GP*GP*TP*GP*TP*GP*AP*AP*GP*AP*CP*CP *CP*AP*CP*GP*CP*AP*TP*CP)-3', 5'-D(*GP*AP*TP*GP*CP*GP*TP*GP*GP*GP*TP*CP*TP*TP *CP*AP*CP*AP)-3', SGRAIR RESTRICTION ENZYME | | Authors: | Lyumkis, D, Talley, H, Stewart, A, Shah, S, Park, C.K, Tama, F, Potter, C.S, Carragher, B, Horton, N.C. | | Deposit date: | 2013-08-23 | | Release date: | 2013-09-11 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (8.6 Å) | | Cite: | Allosteric Regulation of DNA Cleavage and Sequence-Specificity Through Run-on Oligomerization.
Structure, 21, 2013
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4CC1
 | | Notch ligand, Jagged-1, contains an N-terminal C2 domain | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Chilakuri, C.R, Sheppard, D, Ilagan, M.X.G, Holt, L.R, Abbott, F, Liang, S, Kopan, R, Handford, P.A, Lea, S.M. | | Deposit date: | 2013-10-17 | | Release date: | 2013-11-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Structural Analysis Uncovers Lipid-Binding Properties of Notch Ligands
Cell Rep., 5, 2013
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4C5A
 | | The X-ray crystal structures of D-alanyl-D-alanine ligase in complex ADP and D-cycloserine phosphate | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, D-ALANINE--D-ALANINE LIGASE, GLYCEROL, ... | | Authors: | Batson, S, Majce, V, Lloyd, A.J, Rea, D, Fishwick, C.W.G, Simmons, K.J, Fulop, V, Roper, D.I. | | Deposit date: | 2013-09-10 | | Release date: | 2015-01-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Inhibition of D-Ala:D-Ala ligase through a phosphorylated form of the antibiotic D-cycloserine.
Nat Commun, 8, 2017
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4CDY
 | | Spectroscopically-validated structure of cytochrome c prime from Alcaligenes xylosoxidans, reduced by X-ray irradiation at 160K | | Descriptor: | CYTOCHROME C', HEME C | | Authors: | Kekilli, D, Dworkowski, F, Antonyuk, S, Hough, M.A. | | Deposit date: | 2013-11-07 | | Release date: | 2014-05-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Fingerprinting Redox and Ligand States in Haemprotein Crystal Structures Using Resonance Raman Spectroscopy.
Acta Crystallogr.,Sect.D, 70, 2014
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4JGM
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4CFQ
 | | Ca-bound truncated (delta13C) and C3S, C81S and C86S mutated S100A4 complexed with non-muscle myosin IIA | | Descriptor: | CALCIUM ION, MYOSIN-9, PROTEIN S100-A4 | | Authors: | Duelli, A, Kiss, B, Lundholm, I, Bodor, A, Radnai, L, Petoukhov, M, Svergun, D, Nyitray, L, Katona, G. | | Deposit date: | 2013-11-19 | | Release date: | 2014-05-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | The C-Terminal Random Coil Region Tunes the Ca2+-Binding Affinity of S100A4 Through Conformational Activation.
Plos One, 9, 2014
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4BYG
 | | ATPase crystal structure | | Descriptor: | COPPER EFFLUX ATPASE, MAGNESIUM ION, POLYETHYLENE GLYCOL (N=34), ... | | Authors: | Mattle, D, Drachmann, N.D, Liu, X.Y, Pedersen, B.P, Morth, J.P, Wang, J, Gourdon, P, Nissen, P. | | Deposit date: | 2013-07-19 | | Release date: | 2014-08-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Dephosphorylation of Pib-Type Cu(I)-Atpases as Studied by Metallofluoride Complexes
To be Published
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4C1E
 | | Crystal structure of the metallo-beta-lactamase VIM-2 with D-captopril | | Descriptor: | 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, BETA-LACTAMASE CLASS B VIM-2, FORMIC ACID, ... | | Authors: | Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J. | | Deposit date: | 2013-08-12 | | Release date: | 2014-08-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.399 Å) | | Cite: | Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
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4JLU
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4C9P
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4CC9
 | | Crystal structure of human SAMHD1 (amino acid residues 582-626) bound to Vpx isolated from sooty mangabey and human DCAF1 (amino acid residues 1058-1396) | | Descriptor: | DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1, PROTEIN VPRBP, PROTEIN VPX, ... | | Authors: | Schwefel, D, Groom, H.C.T, Boucherit, V.C, Christodoulou, E, Walker, P.A, Stoye, J.P, Bishop, K.N, Taylor, I.A. | | Deposit date: | 2013-10-19 | | Release date: | 2013-12-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.473 Å) | | Cite: | Structural Basis of Lentiviral Subversion of a Cellular Protein Degradation Pathway.
Nature, 505, 2014
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4JDN
 | | Secreted Chlamydial Protein PGP3, C-terminal Domain | | Descriptor: | GLYCEROL, POTASSIUM ION, Virulence plasmid protein pGP3-D | | Authors: | Galaleldeen, A, Taylor, A.B, Chen, D, Holloway, S.P, Zhong, G, Hart, P.J. | | Deposit date: | 2013-02-25 | | Release date: | 2013-06-05 | | Last modified: | 2013-10-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the Chlamydia trachomatis immunodominant antigen Pgp3.
J.Biol.Chem., 288, 2013
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4C4Z
 | | Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with A8 | | Descriptor: | 1-ethyl-3-naphthalen-1-ylurea, BIFUNCTIONAL EPOXIDE HYDROLASE 2 | | Authors: | Pilger, J, Mazur, A, Monecke, P, Schreuder, H, Elshorst, B, Langer, T, Schiffer, A, Krimm, I, Wegstroth, M, Lee, D, Hessler, G, Wendt, K.-U, Becker, S, Griesinger, C. | | Deposit date: | 2013-09-09 | | Release date: | 2014-10-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | A Combination of Spin Diffusion Methods for the Determination of Protein-Ligand Complex Structural Ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4C4Y
 | | Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with A4 | | Descriptor: | 1-(3-chlorophenyl)-3-(2-methoxyethyl)urea, BIFUNCTIONAL EPOXIDE HYDROLASE 2 | | Authors: | Pilger, J, Mazur, A, Monecke, P, Schreuder, H, Elshorst, B, Langer, T, Schiffer, A, Krimm, I, Wegstroth, M, Lee, D, Hessler, G, Wendt, K.-U, Becker, S, Griesinger, C. | | Deposit date: | 2013-09-09 | | Release date: | 2014-10-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | A Combination of Spin Diffusion Methods for the Determination of Protein-Ligand Complex Structural Ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4C4X
 | | Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with C9 | | Descriptor: | 3-(3,4-dichlorophenyl)-1,1-dimethyl-urea, BIFUNCTIONAL EPOXIDE HYDROLASE 2 | | Authors: | Pilger, J, Mazur, A, Monecke, P, Schreuder, H, Elshorst, B, Langer, T, Schiffer, A, Krimm, I, Wegstroth, M, Lee, D, Hessler, G, Wendt, K.-U, Becker, S, Griesinger, C. | | Deposit date: | 2013-09-09 | | Release date: | 2014-10-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | A Combination of Spin Diffusion Methods for the Determination of Protein-Ligand Complex Structural Ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4JRN
 | | ROP18 kinase domain in complex with AMP-PNP and sucrose | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Rhoptry kinase family protein, ... | | Authors: | Lim, D, Gold, D.A, Lindsay, J, Rosowski, E.E, Niedelman, W, Yaffe, M.B, Saeij, J.P.J. | | Deposit date: | 2013-03-21 | | Release date: | 2013-10-23 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Structure of the Toxoplasma gondii ROP18 kinase domain reveals a second ligand binding pocket required for acute virulence.
J.Biol.Chem., 288, 2013
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4JGZ
 | | Crystal structure of human coxsackievirus A16 uncoating intermediate (space group I222) | | Descriptor: | Polyprotein, capsid protein VP1, capsid protein VP2, ... | | Authors: | Ren, J, Wang, X, Hu, Z, Gao, Q, Sun, Y, Li, X, Porta, C, Walter, T.S, Gilbert, R.J, Zhao, Y, Axford, D, Williams, M, McAuley, K, Rowlands, D.J, Yin, W, Wang, J, Stuart, D.I, Rao, Z, Fry, E.E. | | Deposit date: | 2013-03-04 | | Release date: | 2013-06-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Picornavirus uncoating intermediate captured in atomic detail.
Nat Commun, 4, 2013
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4EGY
 | | Crystal Structure of AraR(DBD) in complex with operator ORA1 | | Descriptor: | 5'-D(*AP*AP*AP*AP*TP*TP*GP*TP*TP*CP*GP*TP*AP*CP*AP*AP*AP*TP*AP*TP*T)-3', 5'-D(*TP*AP*AP*TP*AP*TP*TP*TP*GP*TP*AP*CP*GP*AP*AP*CP*AP*AP*TP*TP*T)-3', ACETATE ION, ... | | Authors: | Jain, D, Nair, D.T. | | Deposit date: | 2012-04-02 | | Release date: | 2013-02-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Spacing between core recognition motifs determines relative orientation of AraR monomers on bipartite operators.
Nucleic Acids Res., 41, 2013
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4EH4
 | | Human p38 MAP kinase in complex with NP-F3 and RL87 | | Descriptor: | Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine, phenyl(piperidin-1-yl)methanone | | Authors: | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | | Deposit date: | 2012-04-02 | | Release date: | 2012-12-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
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4EJ1
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4EFU
 | | Hsp90 Alpha N-terminal Domain in Complex with an Inhibitor 6-Hydroxy-3-(3-methyl-benzyl)-1H-indazole-5-carboxylic acid benzyl-methyl-amide | | Descriptor: | Heat shock protein HSP 90-alpha, N-benzyl-6-hydroxy-N-methyl-3-(3-methylbenzyl)-1H-indazole-5-carboxamide, SULFATE ION | | Authors: | Musil, D, Lehmann, M, Graedler, U, Buchstaller, H.-P. | | Deposit date: | 2012-03-30 | | Release date: | 2012-06-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Fragment-based discovery of hydroxy-indazole-carboxamides as novel small molecule inhibitors of Hsp90
Bioorg.Med.Chem.Lett., 22, 2012
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4JA1
 | | Structure of MMP3 complexed with a platinum-based inhibitor | | Descriptor: | CALCIUM ION, CHLORIDE ION, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, ... | | Authors: | Belviso, B.D, Arnesano, F, Calderone, V, Caliandro, R, Natile, G, Siliqi, D. | | Deposit date: | 2013-02-18 | | Release date: | 2013-02-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structure of matrix metalloproteinase-3 with a platinum-based inhibitor.
Chem.Commun.(Camb.), 49, 2013
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4EGZ
 | | Crystal Structure of AraR(DBD) in complex with operator ORR3 | | Descriptor: | 5'-D(*AP*AP*AP*TP*TP*TP*GP*TP*CP*CP*GP*TP*AP*TP*AP*CP*AP*TP*TP*TP*T)-3', 5'-D(*TP*AP*AP*AP*AP*TP*GP*TP*AP*TP*AP*CP*GP*GP*AP*CP*AP*AP*AP*TP*T)-3', ACETATE ION, ... | | Authors: | Jain, D, Nair, D.T. | | Deposit date: | 2012-04-02 | | Release date: | 2013-02-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Spacing between core recognition motifs determines relative orientation of AraR monomers on bipartite operators.
Nucleic Acids Res., 41, 2013
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4JDM
 | | Secreted Chlamydial Protein PGP3, full-length | | Descriptor: | Virulence plasmid protein pGP3-D | | Authors: | Galaleldeen, A, Taylor, A.B, Chen, D, Holloway, S.P, Zhong, G, Hart, P.J. | | Deposit date: | 2013-02-25 | | Release date: | 2013-06-05 | | Last modified: | 2013-10-09 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure of the Chlamydia trachomatis immunodominant antigen Pgp3.
J.Biol.Chem., 288, 2013
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4EH8
 | | Human p38 MAP kinase in complex with NP-F7 and RL87 | | Descriptor: | Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine, [3-(benzyloxy)phenyl]methanol | | Authors: | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | | Deposit date: | 2012-04-02 | | Release date: | 2012-12-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
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