7NJO
 
 | | Mycobacterium smegmatis ATP synthase state 1e | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | | Authors: | Montgomery, M.G, Petri, J, Spikes, T.E, Walker, J.E. | | Deposit date: | 2021-02-17 | | Release date: | 2021-10-27 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.92 Å) | | Cite: | Structure of the ATP synthase from Mycobacterium smegmatis provides targets for treating tuberculosis.
Proc.Natl.Acad.Sci.USA, 118, 2021
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1I2L
 | | DEOXYCHORISMATE LYASE FROM ESCHERICHIA COLI WITH INHIBITOR | | Descriptor: | 4-AMINO-4-DEOXYCHORISMATE LYASE, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE | | Authors: | Jensen, P.Y, Parsons, J.F, Fisher, K.E, Pachikara, A.S, Tordova, M, Howard, A.J, Eisenstein, E, Ladner, J.E. | | Deposit date: | 2001-02-09 | | Release date: | 2003-09-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure and Mechanism of Escherichia coli Aminodeoxychorismate Lyase
To be Published
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6BQH
 | | Crystal structure of 5-HT2C in complex with ritanserin | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2C,Soluble cytochrome b562, 6-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one, ... | | Authors: | Peng, Y, McCorvy, J.D, Harpsoe, K, Lansu, K, Yuan, S, Popov, P, Qu, L, Pu, M, Che, T, Nikolajse, L.F, Huang, X.P, Wu, Y, Shen, L, Bjorn-Yoshimoto, W.E, Ding, K, Wacker, D, Han, G.W, Cheng, J, Katritch, V, Jensen, A.A, Hanson, M.A, Zhao, S, Gloriam, D.E, Roth, B.L, Stevens, R.C, Liu, Z. | | Deposit date: | 2017-11-27 | | Release date: | 2018-02-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | 5-HT2C Receptor Structures Reveal the Structural Basis of GPCR Polypharmacology.
Cell, 172, 2018
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1I2W
 | | BETA-LACTAMASE FROM BACILLUS LICHENIFORMIS BS3 COMPLEXED WITH CEFOXITIN | | Descriptor: | (2R)-5-[(carbamoyloxy)methyl]-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, BETA-LACTAMASE, CARBAMIC ACID | | Authors: | Fonze, E, Vanhove, M, Dive, G, Sauvage, E, Frere, J.M, Charlier, P. | | Deposit date: | 2001-02-12 | | Release date: | 2002-03-13 | | Last modified: | 2018-09-12 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of the Bacillus licheniformis BS3 class A beta-lactamase and of the acyl-enzyme adduct formed with cefoxitin
Biochemistry, 41, 2002
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2F03
 | | Crystal structure of tetrameric restriction endonuclease SfiI in complex with cognate DNA (partial bound form) | | Descriptor: | CALCIUM ION, DNA (5'-D(*AP*AP*TP*AP*GP*GP*CP*CP*TP*TP*GP*TP*TP*GP*GP*CP*CP*AP*CP*AP*T)-3'), DNA (5'-D(*AP*TP*G*TP*GP*GP*CP*CP*AP*AP*CP*AP*AP*GP*GP*CP*CP*TP*AP*TP*T)-3'), ... | | Authors: | Aggarwal, A.K, Vanamee, E.S, Viadiu, H | | Deposit date: | 2005-11-11 | | Release date: | 2007-01-16 | | Last modified: | 2015-09-09 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | A view of consecutive binding events from structures of tetrameric endonuclease SfiI bound to DNA.
Embo J., 24, 2005
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2VCJ
 | | 4,5 Diaryl Isoxazole Hsp90 Chaperone Inhibitors: Potential Therapeutic Agents for the Treatment of Cancer | | Descriptor: | 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide, HEAT SHOCK PROTEIN HSP 90-ALPHA | | Authors: | Brough, P.A, Aherne, W, Barril, X, Borgognoni, J, Boxal, K, Cansfield, J.E, Cheung, K.M, Collins, I, Davies, N.G.M, Drysdale, M.J, Dymock, B, Eccles, S.A, Finch, H, Fink, A, Hayes, A, Howes, R, Hubbard, R.E, James, K, Jordan, A.M, Lockie, A, Martins, V, Massey, A, Matthews, T.P, McDonald, E, Northfield, C.J, Pearl, L.H, Prodromou, C, Ray, S, Raynaud, F.I, Roughley, S.D, Sharp, S.Y, Surgenor, A, Walmsley, D.L, Webb, P, Wood, M, Workman, P, Wright, L. | | Deposit date: | 2007-09-24 | | Release date: | 2007-12-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | 4,5-diarylisoxazole Hsp90 chaperone inhibitors: potential therapeutic agents for the treatment of cancer.
J. Med. Chem., 51, 2008
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2VCI
 | | 4,5 Diaryl Isoxazole Hsp90 Chaperone Inhibitors: Potential Therapeutic Agents for the Treatment of Cancer | | Descriptor: | 5-[2,4-DIHYDROXY-5-(1-METHYLETHYL)PHENYL]-N-ETHYL-4-[4-(MORPHOLIN-4-YLMETHYL)PHENYL]ISOXAZOLE-3-CARBOXAMIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA | | Authors: | Brough, P.A, Aherne, W, Barril, X, Borgognoni, J, Boxal, K, Cansfield, J.E, Cheung, K.M, Collins, I, Davies, N.G.M, Drysdale, M.J, Dymock, B, Eccles, S.A, Finch, H, Fink, A, Hayes, A, Howes, R, Hubbard, R.E, James, K, Jordan, A.M, Lockie, A, Martins, V, Massey, A, Matthews, T.P, McDonald, E, Northfield, C.J, Pearl, L.H, Prodromou, C, Ray, S, Raynaud, F.I, Roughley, S.D, Sharp, S.Y, Surgenor, A, Walmsley, D.L, Webb, P, Wood, M, Workman, P, Wright, L. | | Deposit date: | 2007-09-24 | | Release date: | 2007-12-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 4,5-diarylisoxazole Hsp90 chaperone inhibitors: potential therapeutic agents for the treatment of cancer.
J. Med. Chem., 51, 2008
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4R1U
 | | Crystal structure of Medicago truncatula cinnamoyl-CoA reductase | | Descriptor: | ACETATE ION, Cinnamoyl CoA reductase | | Authors: | Noel, J.P, Bomati, E.K, Louie, G.V, Bowman, M.E. | | Deposit date: | 2014-08-07 | | Release date: | 2014-10-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Structural Studies of Cinnamoyl-CoA Reductase and Cinnamyl-Alcohol Dehydrogenase, Key Enzymes of Monolignol Biosynthesis.
Plant Cell, 26, 2014
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6TN0
 | | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures | | Descriptor: | 2,4-bis(oxidanyl)benzamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E. | | Deposit date: | 2019-12-05 | | Release date: | 2020-10-14 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.905 Å) | | Cite: | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures
Commun Chem, 2020
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7NIS
 | | 1918 H1N1 Viral influenza polymerase heterotrimer with Nb8192 core | | Descriptor: | Nanobody8192 core, Polymerase acidic protein, Polymerase basic protein 2,Immunoglobulin G-binding protein A, ... | | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | | Deposit date: | 2021-02-13 | | Release date: | 2021-12-01 | | Last modified: | 2022-02-09 | | Method: | ELECTRON MICROSCOPY (5.96 Å) | | Cite: | Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies.
Nat Commun, 13, 2022
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4Z7I
 | | Crystal structure of insulin regulated aminopeptidase in complex with ligand | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DG025 transition-state analogue enzyme inhibitor, ... | | Authors: | Mpakali, A, Saridakis, E, Harlos, K, Zhao, Y, Stratikos, E. | | Deposit date: | 2015-04-07 | | Release date: | 2015-08-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.31 Å) | | Cite: | Crystal Structure of Insulin-Regulated Aminopeptidase with Bound Substrate Analogue Provides Insight on Antigenic Epitope Precursor Recognition and Processing.
J Immunol., 195, 2015
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7NK1
 | | 1918 Influenza virus polymerase heterotirmer in complex with vRNA promoters and Nb8201 | | Descriptor: | Nanobody8201, Polymerase acidic protein, Polymerase basic protein 2,Immunoglobulin G-binding protein A, ... | | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | | Deposit date: | 2021-02-17 | | Release date: | 2021-12-01 | | Last modified: | 2022-02-09 | | Method: | ELECTRON MICROSCOPY (4.22 Å) | | Cite: | Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies.
Nat Commun, 13, 2022
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7NKI
 | | 1918 H1N1 Viral influenza polymerase heterotrimer with Nb8209 core | | Descriptor: | Nb8209, Polymerase acidic protein, Polymerase basic protein 2,Polymerase basic protein 2, ... | | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | | Deposit date: | 2021-02-18 | | Release date: | 2021-12-01 | | Last modified: | 2022-02-09 | | Method: | ELECTRON MICROSCOPY (4.67 Å) | | Cite: | Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies.
Nat Commun, 13, 2022
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7NK6
 | | 1918 H1N1 Viral influenza polymerase heterotrimer with Nb8204 | | Descriptor: | Nb8204, Polymerase acidic protein, Polymerase basic protein 2,Polymerase basic protein 2, ... | | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | | Deposit date: | 2021-02-17 | | Release date: | 2021-12-01 | | Last modified: | 2022-02-09 | | Method: | ELECTRON MICROSCOPY (6.72 Å) | | Cite: | Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies.
Nat Commun, 13, 2022
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4AUT
 | | Crystal structure of the tuberculosis drug target Decaprenyl- Phosphoryl-beta-D-Ribofuranose-2-oxidoreductase (DprE1) from Mycobacterium smegmatis | | Descriptor: | DECAPRENYL-PHOSPHORYL-BETA-D-RIBOFURANOSE-2-OXIDOREDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Neres, J, Pojer, F, Molteni, E, Chiarelli, L.R, Dhar, N, Boy-Rottger, S, Buroni, S, Fullam, E, Degiacomi, G, Lucarelli, A, Read, R.J, Zanoni, G, Edmondson, D.E, De Rossi, E, Pasca, M, Riccardi, G, Mattevi, A, Dyson, P.J, Cole, S.T, Binda, C. | | Deposit date: | 2012-05-21 | | Release date: | 2012-09-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Basis for Benzothiazinone-Mediated Killing of Mycobacterium Tuberculosis.
Sci. Transl. Med., 4, 2012
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5SVK
 | | Crystal structure of the ATP-gated human P2X3 ion channel in the ATP-bound, open state | | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Mansoor, S.E, Lu, W, Oosterheert, W, Shekhar, M, Tajkhorshid, E, Gouaux, E. | | Deposit date: | 2016-08-06 | | Release date: | 2016-09-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.773 Å) | | Cite: | X-ray structures define human P2X3 receptor gating cycle and antagonist action.
Nature, 538, 2016
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7NJ7
 | | 1918 H1N1 Viral influenza polymerase heterotrimer with Nb8200 core | | Descriptor: | Nb8200 core, Polymerase acidic protein, Polymerase basic protein 2,Immunoglobulin G-binding protein A, ... | | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | | Deposit date: | 2021-02-16 | | Release date: | 2021-12-01 | | Last modified: | 2022-02-09 | | Method: | ELECTRON MICROSCOPY (4.82 Å) | | Cite: | Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies.
Nat Commun, 13, 2022
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7NKR
 | | 1918 H1N1 Viral influenza polymerase heterotrimer with Nb8210 | | Descriptor: | Nb8210, Polymerase acidic protein, Polymerase basic protein 2,Polymerase basic protein 2, ... | | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | | Deposit date: | 2021-02-18 | | Release date: | 2021-12-01 | | Last modified: | 2022-02-09 | | Method: | ELECTRON MICROSCOPY (5.6 Å) | | Cite: | Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies.
Nat Commun, 13, 2022
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7NKA
 | | 1918 H1N1 Viral influenza polymerase heterotrimer with Nb8206 | | Descriptor: | NB8206, Polymerase acidic protein, Polymerase basic protein 2,Polymerase basic protein 2, ... | | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | | Deposit date: | 2021-02-17 | | Release date: | 2021-12-01 | | Last modified: | 2022-02-09 | | Method: | ELECTRON MICROSCOPY (4.07 Å) | | Cite: | Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies.
Nat Commun, 13, 2022
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7NHA
 | | 1918 H1N1 Viral influenza polymerase heterotrimer - Endonuclease and priming loop ordered (Class2a) | | Descriptor: | Polymerase acidic protein, Polymerase basic protein 2,Immunoglobulin G-binding protein A, RNA (5'-R(P*AP*GP*UP*AP*GP*AP*AP*AP*CP*AP*AP*GP*GP*CP*C)-3'), ... | | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | | Deposit date: | 2021-02-10 | | Release date: | 2021-12-01 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.91 Å) | | Cite: | Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies.
Nat Commun, 13, 2022
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7NIK
 | | 1918 H1N1 Viral influenza polymerase heterotrimer with Nb8189 core | | Descriptor: | Nanobody8189 core, Polymerase acidic protein, Polymerase basic protein 2,Immunoglobulin G-binding protein A, ... | | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | | Deposit date: | 2021-02-12 | | Release date: | 2021-12-01 | | Last modified: | 2022-02-09 | | Method: | ELECTRON MICROSCOPY (6.2 Å) | | Cite: | Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies.
Nat Commun, 13, 2022
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5DLZ
 | | FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR 4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]-N-({1-[(3-methylphe methyl]piperidin-4-yl}methyl)butanamide | | Descriptor: | Bromodomain-containing protein 4, N-{[1-(3-methylbenzyl)piperidin-4-yl]methyl}-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide | | Authors: | Raux, B, Rebuffet, E, Betzi, S, Morelli, X. | | Deposit date: | 2015-09-07 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Protein-Protein Interaction Inhibition (2P2I)-Oriented Chemical Library Accelerates Hit Discovery.
Acs Chem.Biol., 11, 2016
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7NJ5
 | | 1918 H1N1 Viral influenza polymerase heterotrimer with Nb8199 core | | Descriptor: | Nb8199 Core, Polymerase acidic protein, Polymerase basic protein 2,Immunoglobulin G-binding protein A, ... | | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | | Deposit date: | 2021-02-16 | | Release date: | 2021-12-01 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (4.63 Å) | | Cite: | Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies.
Nat Commun, 13, 2022
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7NKC
 | | 1918 H1N1 Viral influenza polymerase heterotrimer with Nb8207 | | Descriptor: | Nb8207, Polymerase acidic protein, Polymerase basic protein 2,Polymerase basic protein 2, ... | | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | | Deposit date: | 2021-02-17 | | Release date: | 2021-12-01 | | Last modified: | 2022-02-09 | | Method: | ELECTRON MICROSCOPY (4.46 Å) | | Cite: | Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies.
Nat Commun, 13, 2022
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2JEB
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