4TSL
 
 | | Crystal structure of FraC with POC bound (crystal form I) | | Descriptor: | ACETATE ION, FORMIC ACID, Fragaceatoxin C, ... | | Authors: | Caaveiro, J.M.M, Tanaka, K, Tsumoto, K. | | Deposit date: | 2014-06-19 | | Release date: | 2015-03-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural basis for self-assembly of a cytolytic pore lined by protein and lipid
Nat Commun, 6, 2015
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4TSY
 | | Crystal structure of FraC with lipids | | Descriptor: | 2-[[(E,2S,3R)-2-(hexanoylamino)-3-oxidanyl-dec-4-enoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium, Fragaceatoxin C, HEPTANE-1,2,3-TRIOL, ... | | Authors: | Caaveiro, J.M.M, Tanaka, K, Tsumoto, K. | | Deposit date: | 2014-06-19 | | Release date: | 2015-03-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.14 Å) | | Cite: | Structural basis for self-assembly of a cytolytic pore lined by protein and lipid
Nat Commun, 6, 2015
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4TSN
 | | Crystal structure of FraC with POC bound (crystal form II) | | Descriptor: | ACETATE ION, Fragaceatoxin C, GLYCEROL, ... | | Authors: | Caaveiro, J.M.M, Tanaka, K, Tsumoto, K. | | Deposit date: | 2014-06-19 | | Release date: | 2015-03-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Structural basis for self-assembly of a cytolytic pore lined by protein and lipid
Nat Commun, 6, 2015
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4TSQ
 | | Crystal structure of FraC with DHPC bound (crystal form III) | | Descriptor: | 1,2-dihexanoyl-sn-glycero-3-phosphocholine, CHLORIDE ION, Fragaceatoxin C, ... | | Authors: | Caaveiro, J.M.M, Tanaka, K, Tsumoto, K. | | Deposit date: | 2014-06-19 | | Release date: | 2015-03-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural basis for self-assembly of a cytolytic pore lined by protein and lipid
Nat Commun, 6, 2015
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3W9P
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5AJZ
 | | Human PFKFB3 in complex with an indole inhibitor 5 | | Descriptor: | 2-azanyl-N-[4-[(3-cyano-1H-indol-5-yl)oxy]phenyl]ethanamide, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ... | | Authors: | Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J. | | Deposit date: | 2015-02-27 | | Release date: | 2015-04-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
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5AJX
 | | Human PFKFB3 in complex with an indole inhibitor 3 | | Descriptor: | (2S)-N-[4-[3-cyano-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ... | | Authors: | Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J. | | Deposit date: | 2015-02-27 | | Release date: | 2015-04-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
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5AJV
 | | Human PFKFB3 in complex with an indole inhibitor 1 | | Descriptor: | (2S)-2-amino-N-[4-[(2-amino-3-cyano-1H-indol-5-yl)oxy]phenyl]-3-hydroxy-propanamide, 2,6-di-O-phosphono-beta-D-fructofuranose, HUMAN PFKFB3, ... | | Authors: | Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J. | | Deposit date: | 2015-02-27 | | Release date: | 2015-04-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
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5AJY
 | | Human PFKFB3 in complex with an indole inhibitor 4 | | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, N-(4-{[3-(1-methyl-1H-pyrazol-4-yl)-1H-indol-5-yl]oxy}phenyl)glycinamide, ... | | Authors: | Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J. | | Deposit date: | 2015-02-27 | | Release date: | 2015-04-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
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5AJW
 | | Human PFKFB3 in complex with an indole inhibitor 2 | | Descriptor: | 2-amino-N-[4-(2-amino-1-benzyl-3-cyano-indol-5-yl)oxyphenyl]acetamide, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ... | | Authors: | Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J. | | Deposit date: | 2015-02-27 | | Release date: | 2015-04-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
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5AK0
 | | Human PFKFB3 in complex with an indole inhibitor 6 | | Descriptor: | (2S)-N-[4-[1-METHYL-3-(1-METHYLPYRAZOL-4-YL)INDOL-5-YL]OXYPHENYL]PYRROLIDINE-2-CARBOXAMIDE, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ... | | Authors: | Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J. | | Deposit date: | 2015-02-27 | | Release date: | 2015-04-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
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6K2G
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4OFS
 | | Crystal structure of a truncated catalytic core of the 2-oxoacid dehydrogenase multienzyme complex from Thermoplasma acidophilum | | Descriptor: | Probable lipoamide acyltransferase | | Authors: | Marrot, N.L, Marshall, J.J.T, Svergun, D.I, Crennell, S.J, Hough, D.W, van den Elsen, J.M.H, Danson, M.J. | | Deposit date: | 2014-01-15 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (4.1 Å) | | Cite: | Why are the 2-oxoacid dehydrogenase complexes so large? Generation of an active trimeric complex.
Biochem.J., 463, 2014
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8F5N
 | | Identification of an Immunodominant region on a Group A Streptococcus T-antigen Reveals Temperature-Dependent Motion in Pili | | Descriptor: | CALCIUM ION, Mouse-Human Fab heavy chain, Mouse-Human Fab light chain, ... | | Authors: | Raynes, J.M, Young, P.G, Moreland, N.J. | | Deposit date: | 2022-11-14 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Identification of an immunodominant region on a group A Streptococcus T-antigen reveals temperature-dependent motion in pili.
Virulence, 14, 2023
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5GHW
 | | Crystal structure of broad neutralizing antibody 10E8 with long epitope bound | | Descriptor: | Endogenous retrovirus group K member 8 Env polyprotein, FAB 10E8 HEAVY CHAIN, FAB 10E8 LIGHT CHAIN, ... | | Authors: | Caaveiro, J.M.M, Rujas, E, Morante, K, Nieva, J.L, Tsumoto, K. | | Deposit date: | 2016-06-21 | | Release date: | 2016-11-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for broad neutralization of HIV-1 through the molecular recognition of 10E8 helical epitope at the membrane interface
Sci Rep, 6, 2016
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7OU8
 | | Human O-GlcNAc hydrolase in complex with DNJNAc-thiazolidines | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, O-GlcNAcase BT_4395, ... | | Authors: | Males, A, Davies, G.J, Gonzalez-Cuesta, M, Mellet, C.O, Fernandez, J.M.G, Sidhu, P, Ashmus, R, Busmann, J, Vocadlo, D.J, Foster, L. | | Deposit date: | 2021-06-11 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Bicyclic Picomolar OGA Inhibitors Enable Chemoproteomic Mapping of Its Endogenous Post-translational Modifications
J.Am.Chem.Soc., 144, 2022
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7OU6
 | | Human O-GlcNAc hydrolase in complex with DNJNAc-thiazolidines | | Descriptor: | Protein O-GlcNAcase, ~{N}-[(3~{Z},6~{S},7~{R},8~{R},8~{a}~{S})-7,8-bis(oxidanyl)-3-(phenylmethyl)imino-1,5,6,7,8,8~{a}-hexahydro-[1,3]thiazolo[3,4-a]pyridin-6-yl]ethanamide | | Authors: | Males, A, Davies, G.J, Gonzalez-Cuesta, M, Mellet, C.O, Fernandez, J.M.G, Sidhu, P, Ashmus, R, Busmann, J, Vocadlo, D.J, Foster, L. | | Deposit date: | 2021-06-11 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Bicyclic Picomolar OGA Inhibitors Enable Chemoproteomic Mapping of Its Endogenous Post-translational Modifications
J.Am.Chem.Soc., 144, 2022
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4WY7
 | | Crystal structure of recombinant 4E10 expressed in Escherichia coli with epitope bound | | Descriptor: | Envelope glycoprotein gp160, Fab 4E10 Heavy chain, Fab 4E10Light chain, ... | | Authors: | Rujas, E, Morante, K, Tsumoto, K, Nieva, J.L, Caaveiro, J.M.M. | | Deposit date: | 2014-11-16 | | Release date: | 2015-03-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Atomic Structure of the HIV-1 gp41 Transmembrane Domain and Its Connection to the Immunogenic Membrane-proximal External Region.
J.Biol.Chem., 290, 2015
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4YRD
 | | Crystal structure of CapF with inhibitor 3-isopropenyl-tropolone | | Descriptor: | 2-hydroxy-3-(prop-1-en-2-yl)cyclohepta-2,4,6-trien-1-one, Capsular polysaccharide synthesis enzyme Cap5F, ZINC ION | | Authors: | Nakano, K, Chigira, T, Miyafusa, T, Nagatoishi, S, Caaveiro, J.M.M, Tsumoto, K. | | Deposit date: | 2015-03-15 | | Release date: | 2015-10-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Discovery and characterization of natural tropolones as inhibitors of the antibacterial target CapF from Staphylococcus aureus.
Sci Rep, 5, 2015
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7AD6
 | | Crystal structure of human complement C5 in complex with the K92 bovine knob domain peptide. | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CYSTEINE, ... | | Authors: | Macpherson, A, van den Elsen, J.M.H, Schulze, M.E, Birtley, J.R. | | Deposit date: | 2020-09-14 | | Release date: | 2021-03-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | The allosteric modulation of Complement C5 by knob domain peptides.
Elife, 10, 2021
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7AD7
 | | Crystal structure of human complement C5 in complex with the K8 bovine knob domain peptide. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Macpherson, A, van den Elsen, J.M.H, Schulze, M.E, Birtley, J.R. | | Deposit date: | 2020-09-14 | | Release date: | 2021-03-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The allosteric modulation of Complement C5 by knob domain peptides.
Elife, 10, 2021
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4D0N
 | | AKAP13 (AKAP-Lbc) RhoGEF domain in complex with RhoA | | Descriptor: | 1,2-ETHANEDIOL, A-KINASE ANCHOR PROTEIN 13, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Abdul Azeez, K.R, Shrestha, L, Krojer, T, Allerston, C, von Delft, F, Bountra, C, Arrowsmith, C, Edwards, A.M, Knapp, S, Klussmann, E, Elkins, J.M. | | Deposit date: | 2014-04-29 | | Release date: | 2014-05-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Crystal Structure of the Rhoa : Akap-Lbc Dh-Ph Domain Complex.
Biochem.J., 464, 2014
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4D0O
 | | AKAP13 (AKAP-Lbc) DH domain | | Descriptor: | A-KINASE ANCHOR PROTEIN 13 | | Authors: | Abdul Azeez, K.R, Shrestha, L, Krojer, T, Allerston, C, von Delft, F, Bountra, C, Arrowsmith, C, Edwards, A.M, Knapp, S, Klussmann, E, Elkins, J.M. | | Deposit date: | 2014-04-29 | | Release date: | 2014-05-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | The Crystal Structure of the Rhoa : Akap-Lbc Dh-Ph Domain Complex.
Biochem.J., 464, 2014
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6CTH
 | | Crystal Structure of Pathogenesis-related Protein 1G (PR-1G) Kinase Domain from Cacao | | Descriptor: | ACETATE ION, Concanavalin A-like lectin protein kinase family protein, MAGNESIUM ION, ... | | Authors: | Tosarini, T.R, Profeta, G.S, dos Reis, C.V, Counago, R.M, Massirer, K.B, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-03-23 | | Release date: | 2018-04-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of Pathogenesis-related Protein 1G (PR-1G) Kinase Domain from Cacao
To Be Published
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1AJ8
 | | CITRATE SYNTHASE FROM PYROCOCCUS FURIOSUS | | Descriptor: | CITRATE SYNTHASE, CITRIC ACID, COENZYME A | | Authors: | Russell, R.J.M, Ferguson, J.M.C, Hough, D.W, Danson, M.J, Taylor, G.L. | | Deposit date: | 1997-05-16 | | Release date: | 1997-11-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The crystal structure of citrate synthase from the hyperthermophilic archaeon pyrococcus furiosus at 1.9 A resolution,.
Biochemistry, 36, 1997
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