5QIB
 
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of HAO1 in complex with FMOPL000388a | | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, 5-(cyclohexylamino)pyrimidine-2,4(1H,3H)-dione, Hydroxyacid oxidase 1 | | Authors: | MacKinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandao-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W. | | Deposit date: | 2018-05-22 | | Release date: | 2018-07-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
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4ERP
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2WHR
 | | Crystal structure of acetylcholinesterase in complex with K027 | | Descriptor: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ... | | Authors: | Ekstrom, F, Hornberg, A, Artursson, E, Hammarstrom, L.-G, Schneider, G, Pang, Y.-P. | | Deposit date: | 2009-05-06 | | Release date: | 2009-05-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.545 Å) | | Cite: | Structure of Hi-6Sarin-Acetylcholinesterase Determined by X-Ray Crystallography and Molecular Dynamics Simulation: Reactivator Mechanism and Design.
Plos One, 4, 2009
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4JXF
 | | Crystal Structure of PLK4 Kinase with an inhibitor: 400631 ((1R,2S)-2-{3-[(E)-2-{4-[(DIMETHYLAMINO)METHYL]PHENYL}ETHENYL]-2H-INDAZOL-6-YL}-5'-METHOXYSPIRO[CYCLOPROPANE-1,3'-INDOL]-2'(1'H)-ONE) | | Descriptor: | (1R,2S)-2-{3-[(E)-2-{4-[(dimethylamino)methyl]phenyl}ethenyl]-2H-indazol-6-yl}-5'-methoxyspiro[cyclopropane-1,3'-indol]-2'(1'H)-one, 1,2-ETHANEDIOL, Serine/threonine-protein kinase PLK4 | | Authors: | Qiu, W, Plotnikova, O, Feher, M, Awrey, D.E, Chirgadze, N.Y. | | Deposit date: | 2013-03-28 | | Release date: | 2014-04-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of PLK4 Kinase with an inhibitor: 400631
To be Published
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4ERM
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3Q4J
 | | Structure of a small peptide ligand bound to E.coli DNA sliding clamp | | Descriptor: | DNA polymerase III subunit beta, peptide ligand | | Authors: | Wolff, P, Olieric, V, Briand, J.P, Chaloin, O, Dejaegere, A, Dumas, P, Ennifar, E, Guichard, G, Wagner, J, Burnouf, D. | | Deposit date: | 2010-12-23 | | Release date: | 2011-12-28 | | Last modified: | 2013-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-based design of short peptide ligands binding onto the E. coli processivity ring.
J.Med.Chem., 54, 2011
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2FZG
 | | The Structure of Wild-Type E. Coli Aspartate Transcarbamoylase in Complex with Novel T State Inhibitors at 2.25 Resolution | | Descriptor: | Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, CYTIDINE-5'-TRIPHOSPHATE, ... | | Authors: | Heng, S, Stieglitz, K.A, Eldo, J, Xia, J, Cardia, J.P, Kantrowitz, E.R. | | Deposit date: | 2006-02-09 | | Release date: | 2006-08-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | T-state Inhibitors of E. coli Aspartate Transcarbamoylase that Prevent the Allosteric Transition.
Biochemistry, 45, 2006
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3QIU
 | | Crystal structure of the 226 TCR in complex with MCC/I-Ek | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, H-2 CLASS II HISTOCOMPATIBILITY ANTIGEN, E-K alpha chain, ... | | Authors: | Kruse, A.C, Ely, L.K, Newell, E.W, Davis, M.M, Garcia, K.C. | | Deposit date: | 2011-01-27 | | Release date: | 2011-04-27 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis of specificity and cross-reactivity in T cell receptors specific for cytochrome c-I-E(k).
J.Immunol., 186, 2011
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1RC6
 | | Crystal structure of protein Ylba from E. coli, Pfam DUF861 | | Descriptor: | Hypothetical protein ylbA | | Authors: | Fedorov, A.A, Fedorov, E.V, Thirumuruhan, R, Ramagopal, U.A, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2003-11-03 | | Release date: | 2003-11-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of Ylba, hypothetical protein from E.Coli
To be Published
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1KFT
 | | Solution Structure of the C-Terminal domain of UvrC from E-coli | | Descriptor: | Excinuclease ABC subunit C | | Authors: | Singh, S, Folkers, G.E, Bonvin, A.M.J.J, Boelens, R, Wechselberger, R, Niztayev, A, Kaptein, R. | | Deposit date: | 2001-11-23 | | Release date: | 2002-11-20 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure and DNA-binding properties of the C-terminal domain of UvrC from E.coli
EMBO J., 21, 2002
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4L1S
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4H2L
 | | Deer mouse hemoglobin in hydrated format | | Descriptor: | Alpha-globin, Beta globin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Inoguchi, N, Oshlo, J.R, Natarajan, C, Weber, R.E, Fago, A, Storz, J.F, Moriyama, H. | | Deposit date: | 2012-09-12 | | Release date: | 2013-04-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.779 Å) | | Cite: | Deer mouse hemoglobin exhibits a lowered oxygen affinity owing to mobility of the E helix.
Acta Crystallogr.,Sect.F, 69, 2013
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2WYG
 | | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with monoaryl P4 motifs | | Descriptor: | (E)-2-(5-CHLOROTHIOPHEN-2-YL)-N-[(3S)-1-{4-[(1R)-1-(DIMETHYLAMINO)ETHYL]-2-FLUOROPHENYL}-2-OXOPYRROLIDIN-3-YL]ETHENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN | | Authors: | Kleanthous, S, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chaudry, L, Chan, C, Clarte, M, Convery, M.A, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Roethka, T.J, Senger, S, Shah, G.P, Stelman, G.J, Toomey, J.R, Watson, N.S, Whittaker, C, Zhou, P, Young, R.J. | | Deposit date: | 2009-11-16 | | Release date: | 2010-12-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Monoaryl P4 Motifs
Bioorg.Med.Chem.Lett., 20, 2010
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4JYI
 | | Crystal structure of RARbeta LBD in complex with selective partial agonist BMS641 [3-chloro-4-[(E)-2-(5,5-dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)ethenyl]benzoic acid] | | Descriptor: | 3-chloro-4-[(E)-2-(5,5-dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)ethenyl]benzoic acid, CITRATE ANION, Nuclear receptor coactivator 1, ... | | Authors: | Nadendla, E.K, Teyssier, C, Germain, P, Delfosse, V, Bourguet, W. | | Deposit date: | 2013-03-29 | | Release date: | 2014-03-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | An Unexpected Mode Of Binding Defines BMS948 as A Full Retinoic Acid Receptor beta (RAR beta , NR1B2) Selective Agonist.
Plos One, 10, 2015
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2WYJ
 | | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with monoaryl P4 motifs | | Descriptor: | (E)-2-(5-CHLOROTHIOPHEN-2-YL)-N-[(3S)-1-{4-[(1S)-1-(DIMETHYLAMINO)ETHYL]-2-FLUOROPHENYL}-2-OXOPYRROLIDIN-3-YL]ETHENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN | | Authors: | Kleanthous, S, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chaudry, L, Chan, C, Clarte, M, Convery, M.A, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Roethka, T.J, Senger, S, Shah, G.P, Stelman, G.J, Toomey, J.R, Watson, N.S, Whittaker, C, Zhou, P, Young, R.J. | | Deposit date: | 2009-11-16 | | Release date: | 2010-12-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Monoaryl P4 Motifs
Bioorg.Med.Chem.Lett., 20, 2010
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3QIW
 | | Crystal structure of the 226 TCR in complex with MCC-p5E/I-Ek | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, H-2 CLASS II HISTOCOMPATIBILITY ANTIGEN, E-K alpha chain, ... | | Authors: | Kruse, A.C, Ely, L.K, Newell, E.W, Davis, M.M, Garcia, K.C. | | Deposit date: | 2011-01-27 | | Release date: | 2011-04-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural basis of specificity and cross-reactivity in T cell receptors specific for cytochrome c-I-E(k).
J.Immunol., 186, 2011
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1EYF
 | | REFINED STRUCTURE OF THE DNA METHYL PHOSPHOTRIESTER REPAIR DOMAIN OF E. COLI ADA | | Descriptor: | ADA REGULATORY PROTEIN, ZINC ION | | Authors: | Lin, Y, Dotsch, V, Wintner, T, Peariso, K, Myers, L.C, Penner-Hahn, J.E, Verdine, G.L, Wagner, G. | | Deposit date: | 2000-05-06 | | Release date: | 2003-09-09 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural basis for the functional switch of the E. coli Ada protein
Biochemistry, 40, 2001
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5NQI
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2LV0
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3DUT
 | | The high salt (phosphate) crystal structure of deoxy hemoglobin E (GLU26LYS) at physiological pH (pH 7.35) | | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PHOSPHATE ION, ... | | Authors: | Malashkevich, V.N, Balazs, T.C, Almo, S.C, Hirsch, R.E. | | Deposit date: | 2008-07-17 | | Release date: | 2009-08-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | The high salt (phosphate) crystal structure of deoxy
hemoglobin E (GLU26LYS) at physiological pH (pH 7.35)
To be Published
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3MJM
 | | His257Ala mutant of dihydroorotase from E. coli | | Descriptor: | (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, Dihydroorotase, N-CARBAMOYL-L-ASPARTATE, ... | | Authors: | Ernberg, K.E, Guss, J.M, Lee, M, Maher, M.J. | | Deposit date: | 2010-04-13 | | Release date: | 2011-03-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | His257Ala mutant of dihydroorotase from E. coli
To be Published
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3CYZ
 | | Dimeric crystal structure of a pheromone binding protein from Apis mellifera in complex with 9-keto-2(E)-decenoic acid at pH 7.0 | | Descriptor: | (2Z)-9-oxodec-2-enoic acid, CHLORIDE ION, GLYCEROL, ... | | Authors: | Pesenti, M.E, Spinelli, S, Bezirard, V, Briand, L, Pernollet, J.C, Tegoni, M, Cambillau, C. | | Deposit date: | 2008-04-27 | | Release date: | 2009-04-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Queen bee pheromone binding protein pH-induced domain swapping favors pheromone release
J.Mol.Biol., 390, 2009
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3GIC
 | | Structure of thrombin mutant delta(146-149e) in the free form | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Thrombin heavy chain, Thrombin light chain | | Authors: | Bah, A, Carrell, C.J, Chen, Z, Gandhi, P.S, Di Cera, E. | | Deposit date: | 2009-03-05 | | Release date: | 2009-06-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Stabilization of the E* form turns thrombin into an anticoagulant.
J.Biol.Chem., 284, 2009
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3Q4K
 | | Structure of a small peptide ligand bound to E.coli DNA sliding clamp | | Descriptor: | DNA polymerase III subunit beta, peptide ligand | | Authors: | Wolff, P, Olieric, V, Briand, J.P, Chaloin, O, Dejaegere, A, Dumas, P, Ennifar, E, Guichard, G, Wagner, J, Burnouf, D. | | Deposit date: | 2010-12-23 | | Release date: | 2011-12-28 | | Last modified: | 2013-03-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-based design of short peptide ligands binding onto the E. coli processivity ring.
J.Med.Chem., 54, 2011
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4E1S
 | | X-ray crystal structure of the transmembrane beta-domain from intimin from EHEC strain O157:H7 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, ... | | Authors: | Fairman, J.W, Dautin, N, Wojtowicz, D, Wei, L, Noinaj, N, Barnard, T.J, Udho, E, Finkelstein, A, Przytycka, T.M, Cherezov, V, Buchanan, S.K. | | Deposit date: | 2012-03-07 | | Release date: | 2012-06-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.855 Å) | | Cite: | Crystal Structures of the Outer Membrane Domain of Intimin and Invasin from Enterohemorrhagic E. coli and Enteropathogenic Y. pseudotuberculosis.
Structure, 20, 2012
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