2O7K
 
 | | S. aureus thioredoxin | | Descriptor: | Thioredoxin | | Authors: | Roos, G, Garcia-Pino, A, Van Belle, K, Brosens, E, Wahni, K, Vandenbussche, G, Wyns, L, Loris, R, Messens, J. | | Deposit date: | 2006-12-11 | | Release date: | 2007-07-24 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The conserved active site proline determines the reducing power of Staphylococcus aureus thioredoxin
J.Mol.Biol., 368, 2007
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4MRO
 | | Human GKRP bound to AMG-5980 and S6P | | Descriptor: | 2-(4-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ... | | Authors: | St Jean, D.J, Ashton, K.S, Bartberger, M.D, Chen, J, Chmait, S, Cupples, R, Galbreath, E, Helmering, J, Jordan, S.R, Liu, L, Kunz, K, Michelsen, K, Nishimura, N, Pennington, L.D, Poon, S.F, Sivits, G, Stec, M.M, Tamayo, N, Van, G, Yang, K, Norman, M.H, Fotsch, C, LLoyd, D.J, Hale, C. | | Deposit date: | 2013-09-17 | | Release date: | 2014-05-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 2. Leveraging structure-based drug design to identify analogues with improved pharmacokinetic profiles.
J.Med.Chem., 57, 2014
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4MSU
 | | Human GKRP bound to AMG-6861 and Sorbitol-6-phosphate | | Descriptor: | 1,1,1,3,3,3-hexafluoro-2-{4-[4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ... | | Authors: | Ashton, K.S, Andrews, K.L, Bryan, M.C, Chen, J, Chen, K, Chen, M, Chmait, S, Croghan, M, Cupples, R, Fotsch, C, Helmering, J, Jordan, S.R, Kurzeja, R.J, Michelsen, K, Pennington, L.D, Poon, S.F, Sivits, G, Van, G, Vonderfecht, S.L, Wahl, R.C, Zhang, J, Lloyd, D.J, Hale, C, St Jean, D.J. | | Deposit date: | 2013-09-18 | | Release date: | 2014-03-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Small Molecule Disruptors of the Glucokinase-Glucokinase Regulatory Protein Interaction: 1. Discovery of a Novel Tool Compound for in Vivo Proof-of-Concept.
J.Med.Chem., 57, 2014
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5KAF
 | | RT XFEL structure of Photosystem II in the dark state at 3.0 A resolution | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Fuller, F, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Waterman, D.G, Evans, G, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J. | | Deposit date: | 2016-06-01 | | Release date: | 2016-11-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.00001 Å) | | Cite: | Structure of photosystem II and substrate binding at room temperature.
Nature, 540, 2016
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5KAI
 | | NH3-bound RT XFEL structure of Photosystem II 500 ms after the 2nd illumination (2F) at 2.8 A resolution | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Fuller, F, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Waterman, D.G, Evans, G, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J. | | Deposit date: | 2016-06-01 | | Release date: | 2016-11-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.80000925 Å) | | Cite: | Structure of photosystem II and substrate binding at room temperature.
Nature, 540, 2016
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1T3E
 | | Structural basis of dynamic glycine receptor clustering | | Descriptor: | 49-mer fragment of Glycine receptor beta chain, Gephyrin, SULFATE ION | | Authors: | Sola, M, Bavro, V.N, Timmins, J, Franz, T, Ricard-Blum, S, Schoehn, G, Ruigrok, R.W.H, Paarmann, I, Saiyed, T, O'Sullivan, G.A. | | Deposit date: | 2004-04-26 | | Release date: | 2004-07-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Structural basis of dynamic glycine receptor clustering by gephyrin
Embo J., 23, 2004
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1SRV
 | | THERMUS THERMOPHILUS GROEL (HSP60 CLASS) FRAGMENT (APICAL DOMAIN) COMPRISING RESIDUES 192-336 | | Descriptor: | PROTEIN (GROEL (HSP60 CLASS)) | | Authors: | Walsh, M.A, Dementieva, I, Evans, G, Sanishvili, R, Joachimiak, A. | | Deposit date: | 1999-03-02 | | Release date: | 1999-03-12 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Taking MAD to the extreme: ultrafast protein structure determination.
Acta Crystallogr.,Sect.D, 55, 1999
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4S1K
 | | Structure of Uranotaenia sapphirina cypovirus (CPV17) polyhedrin at 100 K | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Polyhedrin | | Authors: | Ginn, H.M, Messerschmidt, M, Ji, X, Zhang, H, Axford, D, Gildea, R.J, Winter, G, Brewster, A.S, Hattne, J, Wagner, A, Grimes, J.M, Evans, G, Sauter, N.K, Sutton, G, Stuart, D.I. | | Deposit date: | 2015-01-14 | | Release date: | 2015-03-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of CPV17 polyhedrin determined by the improved analysis of serial femtosecond crystallographic data.
Nat Commun, 6, 2015
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4S1L
 | | Structure of Uranotaenia sapphirina cypovirus (CPV17) polyhedrin at 298 K | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, polyhedrin | | Authors: | Ginn, H.M, Messerschmidt, M, Ji, X, Zhang, H, Axford, D, Gildea, R.J, Winter, G, Brewster, A.S, Hattne, J, Wagner, A, Grimes, J.M, Evans, G, Sauter, N.K, Sutton, G, Stuart, D.I. | | Deposit date: | 2015-01-14 | | Release date: | 2015-03-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.752 Å) | | Cite: | Structure of CPV17 polyhedrin determined by the improved analysis of serial femtosecond crystallographic data.
Nat Commun, 6, 2015
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8QPH
 | | Crystal structure of Lymantria dispar CPV14 polyhedra 14 crystals | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Polyhedrin | | Authors: | Trincao, J, Warren, A, Crawshaw, A, Sutton, G, Stuart, D, Evans, G. | | Deposit date: | 2023-10-02 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | VMXm - sub-micron microfocus beamline for macromolecular crystallography at Diamond Light Source
To Be Published
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8QQC
 | | Crystal structure of Lymantria dispar CPV14 polyhedra single crystal | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Polyhedrin | | Authors: | Trincao, J, Warren, A, Crawshaw, A, Sutton, G, Stuart, D, Evans, G. | | Deposit date: | 2023-10-04 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | VMXm - sub-micron microfocus beamline for macromolecular crystallography at Diamond Light Source
To Be Published
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6HK0
 | | X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) F16'S pore mutant (F247S) with alternate M4 conformation. | | Descriptor: | Cys-loop ligand-gated ion channel, DODECYL-BETA-D-MALTOSIDE | | Authors: | Nury, H, Spurny, R, Govaerts, C, Evans, G.L, Pardon, E, Steyaert, J, Ulens, C. | | Deposit date: | 2018-09-04 | | Release date: | 2019-10-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | A lipid site shapes the agonist response of a pentameric ligand-gated ion channel.
Nat.Chem.Biol., 15, 2019
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4YCR
 | | Structure determination of an integral membrane protein at room temperature from crystals in situ | | Descriptor: | Tellurite resistance protein TehA homolog, octyl beta-D-glucopyranoside | | Authors: | Axford, D, Hu, N.J, Foadi, J, Choudhury, H.G, Iwata, S, Beis, K, Evans, G, Alguel, Y. | | Deposit date: | 2015-02-20 | | Release date: | 2015-06-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure determination of an integral membrane protein at room temperature from crystals in situ.
Acta Crystallogr.,Sect.D, 71, 2015
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4D08
 | | PDE2a catalytic domain in complex with a brain penetrant inhibitor | | Descriptor: | 1-(5-butoxypyridin-3-yl)-4-methyl-8-(morpholin-4-ylmethyl)[1,2,4]triazolo[4,3-a]quinoxaline, CGMP-DEPENDENT 3', 5'-CYCLIC PHOSPHODIESTERASE, ... | | Authors: | Buijnsters, P, Andres, J.I, DeAngelis, M, Langlois, X, Rombouts, F, Sanderson, W, Tresadern, G, Trabanco, A, VanHoof, G, VanRoosbroeck, Y. | | Deposit date: | 2014-04-24 | | Release date: | 2014-08-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-Based Design of a Potent, Selective, and Brain Penetrating Pde2 Inhibitor with Demonstrated Target Engagement.
Acs Med.Chem.Lett., 5, 2014
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4D09
 | | PDE2a catalytic domain in complex with a brain penetrant inhibitor | | Descriptor: | CGMP-DEPENDENT 3', 5'-CYCLIC PHOSPHODIESTERASE, MAGNESIUM ION, ... | | Authors: | Buijnsters, P, Andres, J.I, DeAngelis, M, Langlois, X, Rombouts, F, Sanderson, W, Tresadern, G, Trabanco, A, VanHoof, G, VanRoosbroeck, Y. | | Deposit date: | 2014-04-24 | | Release date: | 2014-08-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-Based Design of a Potent, Selective, and Brain Penetrating Pde2 Inhibitor with Demonstrated Target Engagement.
Acs Med.Chem.Lett., 5, 2014
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5LNS
 | | Crystal structure of Arabidopsis thaliana Pdx1-R5P complex | | Descriptor: | PHOSPHATE ION, Pyridoxal 5'-phosphate synthase subunit PDX1.3, RIBULOSE-5-PHOSPHATE | | Authors: | Rodrigues, M.J, Windeisen, V, Zhang, Y, Guedez, G, Weber, S, Strohmeier, M, Hanes, J.W, Royant, A, Evans, G, Sinning, I, Ealick, S.E, Begley, T.P, Tews, I. | | Deposit date: | 2016-08-06 | | Release date: | 2017-01-18 | | Last modified: | 2017-02-22 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Lysine relay mechanism coordinates intermediate transfer in vitamin B6 biosynthesis.
Nat. Chem. Biol., 13, 2017
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5LNU
 | | Crystal structure of Arabidopsis thaliana Pdx1-I320 complex | | Descriptor: | (4~{S})-4-azanyl-5-oxidanyl-pent-1-en-3-one, PHOSPHATE ION, Pyridoxal 5'-phosphate synthase subunit PDX1.3, ... | | Authors: | Rodrigues, M.J, Windeisen, V, Zhang, Y, Guedez, G, Weber, S, Strohmeier, M, Hanes, J.W, Royant, A, Evans, G, Sinning, I, Ealick, S.E, Begley, T.P, Tews, I. | | Deposit date: | 2016-08-06 | | Release date: | 2017-01-18 | | Last modified: | 2017-02-22 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Lysine relay mechanism coordinates intermediate transfer in vitamin B6 biosynthesis.
Nat. Chem. Biol., 13, 2017
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5LNR
 | | Crystal structure of Arabidopsis thaliana Pdx1-PLP complex | | Descriptor: | GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, Pyridoxal 5'-phosphate synthase subunit PDX1.3 | | Authors: | Rodrigues, M.J, Windeisen, V, Zhang, Y, Guedez, G, Weber, S, Strohmeier, M, Hanes, J.W, Royant, A, Evans, G, Sinning, I, Ealick, S.E, Begley, T.P, Tews, I. | | Deposit date: | 2016-08-06 | | Release date: | 2017-01-18 | | Last modified: | 2017-02-22 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Lysine relay mechanism coordinates intermediate transfer in vitamin B6 biosynthesis.
Nat. Chem. Biol., 13, 2017
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5LNW
 | | Crystal structure of Arabidopsis thaliana Pdx1-I320-G3P complex | | Descriptor: | 5-O-phosphono-beta-D-ribofuranose, GLYCEROL, Pyridoxal 5'-phosphate synthase subunit PDX1.3, ... | | Authors: | Rodrigues, M.J, Windeisen, V, Zhang, Y, Guedez, G, Weber, S, Strohmeier, M, Hanes, J.W, Royant, A, Evans, G, Sinning, I, Ealick, S.E, Begley, T.P, Tews, I. | | Deposit date: | 2016-08-06 | | Release date: | 2017-01-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Lysine relay mechanism coordinates intermediate transfer in vitamin B6 biosynthesis.
Nat. Chem. Biol., 13, 2017
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5LNV
 | | Crystal structure of Arabidopsis thaliana Pdx1-I320 complex from multiple crystals | | Descriptor: | (4~{S})-4-azanyl-5-oxidanyl-pent-1-en-3-one, PHOSPHATE ION, Pyridoxal 5'-phosphate synthase subunit PDX1.3, ... | | Authors: | Rodrigues, M.J, Windeisen, V, Zhang, Y, Guedez, G, Weber, S, Strohmeier, M, Hanes, J.W, Royant, A, Evans, G, Sinning, I, Ealick, S.E, Begley, T.P, Tews, I. | | Deposit date: | 2016-08-06 | | Release date: | 2017-01-18 | | Last modified: | 2018-09-19 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Lysine relay mechanism coordinates intermediate transfer in vitamin B6 biosynthesis.
Nat. Chem. Biol., 13, 2017
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5LNT
 | | Crystal structure of Arabidopsis thaliana Pdx1K166R-preI320 complex | | Descriptor: | PHOSPHATE ION, Pyridoxal 5'-phosphate synthase subunit PDX1.1, [(~{E},4~{S})-4-azanyl-3-oxidanylidene-pent-1-enyl] dihydrogen phosphate | | Authors: | Rodrigues, M.J, Windeisen, V, Zhang, Y, Guedez, G, Weber, S, Strohmeier, M, Hanes, J.W, Royant, A, Evans, G, Sinning, I, Ealick, S.E, Begley, T.P, Tews, I. | | Deposit date: | 2016-08-06 | | Release date: | 2017-01-18 | | Last modified: | 2017-02-22 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Lysine relay mechanism coordinates intermediate transfer in vitamin B6 biosynthesis.
Nat. Chem. Biol., 13, 2017
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6HJY
 | | X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) Delta8 truncation mutant in complex with nanobody 72 | | Descriptor: | Cys-loop ligand-gated ion channel, nanobody 72 | | Authors: | Spurny, R, Govaerts, C, Evans, G.L, Pardon, E, Steyaert, J, Ulens, C. | | Deposit date: | 2018-09-04 | | Release date: | 2019-10-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | A lipid site shapes the agonist response of a pentameric ligand-gated ion channel.
Nat.Chem.Biol., 15, 2019
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6HJX
 | | X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) 7'C pore mutant (L238C) in complex with nanobody 72 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cys-loop ligand-gated ion channel, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Spurny, R, Govaerts, C, Evans, G.L, Pardon, E, Steyaert, J, Ulens, C. | | Deposit date: | 2018-09-04 | | Release date: | 2019-10-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A lipid site shapes the agonist response of a pentameric ligand-gated ion channel.
Nat.Chem.Biol., 15, 2019
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5A98
 | | Crystal structure of Trichoplusia ni CPV15 polyhedra | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, POLYHEDRIN | | Authors: | Ji, X, Axford, D, Owen, R, Evans, G, Ginn, H.M, Sutton, G, Stuart, D.I. | | Deposit date: | 2015-07-17 | | Release date: | 2015-09-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.816 Å) | | Cite: | Polyhedra Structures and the Evolution of the Insect Viruses.
J.Struct.Biol., 192, 2015
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5CWA
 | | Structure of Anthranilate Synthase Component I (TrpE) from Mycobacterium tuberculosis with inhibitor bound | | Descriptor: | 3-{[(1Z)-1-carboxyprop-1-en-1-yl]oxy}-2-hydroxybenzoic acid, Anthranilate synthase component 1, GLYCEROL, ... | | Authors: | Johnston, J.M, Bashiri, G, Evans, G.L, Lott, J.S, Baker, E.N. | | Deposit date: | 2015-07-28 | | Release date: | 2015-08-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and inhibition of subunit I of the anthranilate synthase complex of Mycobacterium tuberculosis and expression of the active complex.
Acta Crystallogr.,Sect.D, 71, 2015
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