2V40
 
 | | Human Adenylosuccinate synthetase isozyme 2 in complex with GDP | | Descriptor: | ADENYLOSUCCINATE SYNTHETASE ISOZYME 2, GUANOSINE-5'-DIPHOSPHATE | | Authors: | Welin, M, Moche, M, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Tresaugues, L, van den Berg, S, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-06-27 | | Release date: | 2007-07-10 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Human Adenylosuccinate Synthetase Isozyme 2 in Complex with Gdp
To be Published
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2VRI
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7ZAV
 | | GPC3-Unc5D octamer structure and role in cell migration | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3 | | Authors: | Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E. | | Deposit date: | 2022-03-22 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | GPC3-Unc5 receptor complex structure and role in cell migration.
Cell, 185, 2022
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7ZA1
 | | GPC3-Unc5D octamer structure and role in cell migration | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3, ... | | Authors: | Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E. | | Deposit date: | 2022-03-21 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (4.1 Å) | | Cite: | GPC3-Unc5 receptor complex structure and role in cell migration.
Cell, 185, 2022
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7ZA3
 | | GPC3-Unc5D octamer structure and role in cell migration | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3, ... | | Authors: | Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E. | | Deposit date: | 2022-03-21 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | GPC3-Unc5 receptor complex structure and role in cell migration.
Cell, 185, 2022
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7ZAW
 | | GPC3-Unc5D octamer structure and role in cell migration | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3 | | Authors: | Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E. | | Deposit date: | 2022-03-22 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | GPC3-Unc5 receptor complex structure and role in cell migration.
Cell, 185, 2022
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2WDP
 | | Crystal Structure of Ligand Free Human Caspase-6 | | Descriptor: | CASPASE-6, PHOSPHATE ION | | Authors: | Baumgartner, R, Briand, C, Meder, G, Morse, R, Renatus, M. | | Deposit date: | 2009-03-25 | | Release date: | 2009-10-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The Crystal Structure of Caspase-6, a Selective Effector of Axonal Degeneration.
Biochem.J., 423, 2009
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6XX6
 | | Arabidopsis thaliana Casein Kinase 2 (CK2) alpha-1 crystal form I | | Descriptor: | CHLORIDE ION, Casein kinase II subunit alpha-1, PIVALIC ACID, ... | | Authors: | Demulder, M, De Veylder, L, Loris, R. | | Deposit date: | 2020-01-27 | | Release date: | 2020-04-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.84919691 Å) | | Cite: | Crystal structure of Arabidopsis thaliana casein kinase 2 alpha 1.
Acta Crystallogr.,Sect.F, 76, 2020
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6XX8
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2PT7
 | | Crystal structure of Cag VirB11 (HP0525) and an inhibitory protein (HP1451) | | Descriptor: | Cag-alfa, Hypothetical protein | | Authors: | Hare, S, Fischer, W, Williams, R, Terradot, L, Bayliss, R, Haas, R, Waksman, G. | | Deposit date: | 2007-05-08 | | Release date: | 2007-11-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Identification, structure and mode of action of a new regulator of the Helicobacter pylori HP0525 ATPase.
Embo J., 26, 2007
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2VQW
 | | Structure of inhibitor-free HDAC4 catalytic domain (with gain-of- function mutation His332Tyr) | | Descriptor: | HISTONE DEACETYLASE 4, POTASSIUM ION, ZINC ION | | Authors: | Bottomley, M.J, Lo Surdo, P, Di Giovine, P, Cirillo, A, Scarpelli, R, Ferrigno, F, Jones, P, Neddermann, P, De Francesco, R, Steinkuhler, C, Gallinari, P, Carfi, A. | | Deposit date: | 2008-03-19 | | Release date: | 2008-08-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural and Functional Analysis of the Human Hdac4 Catalytic Domain Reveals a Regulatory Structural Zinc-Binding Domain.
J.Biol.Chem., 283, 2008
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6BUT
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2VQM
 | | Structure of HDAC4 catalytic domain bound to a hydroxamic acid inhbitor | | Descriptor: | HISTONE DEACETYLASE 4, N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophene-2-carboxamide, POTASSIUM ION, ... | | Authors: | Bottomley, M.J, Lo Surdo, P, Di Giovine, P, Cirillo, A, Scarpelli, R, Ferrigno, F, Jones, P, Neddermann, P, De Francesco, R, Steinkuhler, C, Gallinari, P, Carfi, A. | | Deposit date: | 2008-03-17 | | Release date: | 2008-07-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and Functional Analysis of the Human Hdac4 Catalytic Domain Reveals a Regulatory Zinc-Binding Domain.
J.Biol.Chem., 283, 2008
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2PL8
 | | D(GTATACC) under hydrostatic pressure of 1.04 GPa | | Descriptor: | 5'-D(*DGP*DGP*DTP*DAP*DTP*DAP*DCP*DC)-3', SPERMINE | | Authors: | Prange, T, Girard, E, Fourme, R, Kahn, R. | | Deposit date: | 2007-04-19 | | Release date: | 2007-07-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Adaptation of the base-paired double-helix molecular architecture to extreme pressure.
Nucleic Acids Res., 35, 2007
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8AXV
 | | Structure of an open form of CHIKV nsP1 capping pores | | Descriptor: | 2-amino-7-methyl-1,7-dihydro-6H-purin-6-one, ZINC ION, mRNA-capping enzyme nsP1 | | Authors: | Reguera, J, Jones, R, Hons, M. | | Deposit date: | 2022-09-01 | | Release date: | 2023-03-29 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural basis and dynamics of Chikungunya alphavirus RNA capping by nsP1 capping pores.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8AOX
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8AOW
 | | CryoEM structure of the Chikungunya virus nsP1 capping pores in complex with m7GTP and SAH ligands | | Descriptor: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Jones, R, Hons, M, Reguera, J. | | Deposit date: | 2022-08-08 | | Release date: | 2023-03-29 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural basis and dynamics of Chikungunya alphavirus RNA capping by nsP1 capping pores.
Proc.Natl.Acad.Sci.USA, 120, 2023
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4DXK
 | | Crystal structure of an enolase (mandelate racemase subgroup, target EFI-502086) from Agrobacterium tumefaciens, with a succinimide residue, na and phosphate | | Descriptor: | Mandelate racemase / muconate lactonizing enzyme family protein, PHOSPHATE ION, SODIUM ION | | Authors: | Vetting, M.W, Bouvier, J.T, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-02-27 | | Release date: | 2012-04-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Crystal structure of an enolase (mandelate racemase subgroup, target EFI-502086) from Agrobacterium tumefaciens, with a succinimide residue, na and phosphate
to be published
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2WPA
 | | Optimisation of 6,6-Dimethyl Pyrrolo 3,4-c pyrazoles: Identification of PHA-793887, a Potent CDK Inhibitor Suitable for Intravenous Dosing | | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, N-{6,6-DIMETHYL-5-[(1-METHYLPIPERIDIN-4-YL)CARBONYL]-1,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOL-3-YL}-3-METHYLBUTANAMIDE, ... | | Authors: | Brasca, M.G, Albanese, C, Alzani, R, Amici, R, Avanzi, N, Ballinari, D, Bischoff, J, Borghi, D, Casale, E, Croci, V, Fiorentini, F, Isacchi, A, Mercurio, C, Nesi, M, Orsini, P, Pastori, W, Pesenti, E, Pevarello, P, Roussel, P, Varasi, M, Volpi, D, Vulpetti, A, Ciomei, M. | | Deposit date: | 2009-08-03 | | Release date: | 2010-02-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Optimization of 6,6-Dimethyl Pyrrolo[3,4-C]Pyrazoles: Identification of Pha-793887, a Potent Cdk Inhibitor Suitable for Intravenous Dosing.
Bioorg.Med.Chem., 18, 2010
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8ARV
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4DYE
 | | Crystal structure of an enolase (putative sugar isomerase, target efi-502095) from streptomyces coelicolor, no mg, ordered loop | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, isomerase | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-02-28 | | Release date: | 2012-03-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of an enolase (putative sugar isomerase, target efi-502095) from streptomyces coelicolor, no mg, ordered loop
to be published
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1CR7
 | | PEANUT LECTIN-LACTOSE COMPLEX MONOCLINIC FORM | | Descriptor: | CALCIUM ION, LECTIN, MANGANESE (II) ION, ... | | Authors: | Ravishankar, R, Suguna, K, Surolia, A, Vijayan, M. | | Deposit date: | 1999-08-14 | | Release date: | 2001-04-21 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structures of the peanut lectin-lactose complex at acidic pH: retention of unusual quaternary structure, empty and carbohydrate bound combining sites, molecular mimicry and crystal packing directed by interactions at the combining site.
Proteins, 43, 2001
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4EBU
 | | Crystal structure of a sugar kinase (Target EFI-502312) from Oceanicola granulosus, with bound AMP/ADP crystal form I | | Descriptor: | 2-dehydro-3-deoxygluconokinase, ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-03-24 | | Release date: | 2012-04-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a sugar kinase (Target EFI-502312) from Oceanicola granulosus, with bound AMP/ADP crystal form I
TO BE PUBLISHED
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4EUN
 | | Crystal structure of a sugar kinase (Target EFI-502144 from Janibacter sp. HTCC2649), unliganded structure | | Descriptor: | SULFATE ION, thermoresistant glucokinase | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-04-25 | | Release date: | 2012-05-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of a sugar kinase (Target EFI-502144 from Janibacter sp. HTCC2649), unliganded structure
To be Published
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2VIY
 | | Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(pentylsulfonyl)benzamide | | Descriptor: | BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(pentylsulfonyl)benzamide | | Authors: | Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G. | | Deposit date: | 2007-12-06 | | Release date: | 2008-01-29 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Bace-1 Inhibitors Part 1: Identification of Novel Hydroxy Ethylamines (Heas).
Bioorg.Med.Chem.Lett., 18, 2008
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