3A61
 
 | | Crystal structure of unphosphorylated p70S6K1 (Form II) | | Descriptor: | Ribosomal protein S6 kinase beta-1, STAUROSPORINE | | Authors: | Sunami, T, Byrne, N, Diehl, R.E, Funabashi, K, Hall, D.L, Ikuta, M, Patel, S.B, Shipman, J.M, Smith, R.F, Takahashi, I, Zugay-Murphy, J, Iwasawa, Y, Lumb, K.J, Munshi, S.K, Sharma, S. | | Deposit date: | 2009-08-18 | | Release date: | 2009-10-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.43 Å) | | Cite: | Structural basis of human p70 ribosomal S6 kinase-1 regulation by activation loop phosphorylation.
J.Biol.Chem., 285, 2010
|
|
2YG8
 | | Structure of an unusual 3-Methyladenine DNA Glycosylase II (Alka) from Deinococcus radiodurans | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, DNA-3-methyladenine glycosidase II, ... | | Authors: | Moe, E, Hall, D.R, Leiros, I, Talstad, V, Timmins, J, McSweeney, S. | | Deposit date: | 2011-04-11 | | Release date: | 2011-04-20 | | Last modified: | 2018-12-05 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-function studies of an unusual 3-methyladenine DNA glycosylase II (AlkA) from Deinococcus radiodurans.
Acta Crystallogr. D Biol. Crystallogr., 68, 2012
|
|
2YG9
 | | Structure of an unusual 3-Methyladenine DNA Glycosylase II (Alka) from Deinococcus radiodurans | | Descriptor: | CHLORIDE ION, DNA-3-methyladenine glycosidase II, putative, ... | | Authors: | Moe, E, Hall, D.R, Leiros, I, Talstad, V, Timmins, J, McSweeney, S. | | Deposit date: | 2011-04-11 | | Release date: | 2011-04-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure-function studies of an unusual 3-methyladenine DNA glycosylase II (AlkA) from Deinococcus radiodurans.
Acta Crystallogr. D Biol. Crystallogr., 68, 2012
|
|
1GVC
 | | 18kDa N-II domain fragment of duck ovotransferrin + NTA | | Descriptor: | CARBONATE ION, FE (III) ION, NITRILOTRIACETIC ACID, ... | | Authors: | Kuser, P, Hall, D.R, Haw, M.L, Neu, M, Lindley, P.F. | | Deposit date: | 2002-02-07 | | Release date: | 2002-02-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Mechanism of Iron Uptake by Transferrins: The X-Ray Structures of the 18 kDa Nii Domain Fragment of Duck Ovotransferrin and its Nitrilotriacetate Complex
Acta Crystallogr.,Sect.D, 58, 2002
|
|
1GV8
 | | 18 kDa fragment of N-II domain of duck ovotransferrin | | Descriptor: | CARBONATE ION, FE (III) ION, GLYCINE, ... | | Authors: | Kuser, P, Hall, D.R, Haw, M.L, Neu, M, Lindley, P.F. | | Deposit date: | 2002-02-07 | | Release date: | 2002-02-12 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The Mechanism of Iron Uptake by Transferrins: The X-Ray Structures of the 18 kDa Nii Domain Fragment of Duck Ovotransferrin and its Nitrilotriacetate Complex
Acta Crystallogr.,Sect.D, 58, 2002
|
|
2CHG
 | | Replication Factor C domains 1 and 2 | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, REPLICATION FACTOR C SMALL SUBUNIT | | Authors: | Seybert, A, Singleton, M.R, Cook, N, Hall, D.R, Wigley, D.B. | | Deposit date: | 2006-03-14 | | Release date: | 2006-06-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Communication between Subunits within an Archaeal Clamp-Loader Complex.
Embo J., 25, 2006
|
|
2CHQ
 | | Replication Factor C ADPNP complex | | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, REPLICATION FACTOR C SMALL SUBUNIT | | Authors: | Seybert, A, Singleton, M.R, Cook, N, Hall, D.R, Wigley, D.B. | | Deposit date: | 2006-03-16 | | Release date: | 2006-06-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Communication between Subunits within an Archaeal Clamp-Loader Complex.
Embo J., 25, 2006
|
|
7L1U
 | | Orexin Receptor 2 (OX2R) in Complex with G Protein and Natural Peptide-Agonist Orexin B (OxB) | | Descriptor: | Engineered Guanine nucleotide-binding protein subunit alpha, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Hong, C, Byrne, N.J, Zamlynny, B, Tummala, S, Xiao, L, Shipman, J.M, Partridge, A.T, Minnick, C, Breslin, M.J, Rudd, M.T, Stachel, S.J, Rada, V.L, Kern, J.C, Armacost, K.A, Hollingsworth, S.A, O'Brien, J.A, Hall, D.L, McDonald, T.P, Strickland, C, Brooun, A, Soisson, S.M, Hollenstein, K. | | Deposit date: | 2020-12-15 | | Release date: | 2021-02-10 | | Last modified: | 2021-02-17 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structures of active-state orexin receptor 2 rationalize peptide and small-molecule agonist recognition and receptor activation.
Nat Commun, 12, 2021
|
|
7L1V
 | | Orexin Receptor 2 (OX2R) in Complex with G Protein and Small-Molecule Agonist Compound 1 | | Descriptor: | 4'-methoxy-N,N-dimethyl-3'-{[3-(2-{[2-(2H-1,2,3-triazol-2-yl)benzene-1-carbonyl]amino}ethyl)phenyl]sulfamoyl}[1,1'-biphenyl]-3-carboxamide, Engineered Guanine nucleotide-binding protein subunit alpha, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Hong, C, Byrne, N.J, Zamlynny, B, Tummala, S, Xiao, L, Shipman, J.M, Partridge, A.T, Minnick, C, Breslin, M.J, Rudd, M.T, Stachel, S.J, Rada, V.L, Kern, J.C, Armacost, K.A, Hollingsworth, S.A, O'Brien, J.A, Hall, D.L, McDonald, T.P, Strickland, C, Brooun, A, Soisson, S.M, Hollenstein, K. | | Deposit date: | 2020-12-15 | | Release date: | 2021-02-10 | | Last modified: | 2021-02-17 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structures of active-state orexin receptor 2 rationalize peptide and small-molecule agonist recognition and receptor activation.
Nat Commun, 12, 2021
|
|
2CHV
 | | Replication Factor C ADPNP complex | | Descriptor: | REPLICATION FACTOR C SMALL SUBUNIT | | Authors: | Seybert, A, Singleton, M.R, Cook, N, Hall, D.R, Wigley, D.B. | | Deposit date: | 2006-03-16 | | Release date: | 2006-06-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Communication between Subunits within an Archaeal Clamp-Loader Complex.
Embo J., 25, 2006
|
|
5INI
 | | Structural basis for acyl-CoA carboxylase-mediated assembly of unusual polyketide synthase extender units incorporated into the stambomycin antibiotics | | Descriptor: | HEXANOYL-COENZYME A, Putative carboxyl transferase | | Authors: | Valentic, T.R, Ray, L, Miyazawa, T, Withall, D.M, Song, L, Milligan, J.C, Osada, H, Tsai, S.C, Challis, G.L. | | Deposit date: | 2016-03-07 | | Release date: | 2016-12-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | A crotonyl-CoA reductase-carboxylase independent pathway for assembly of unusual alkylmalonyl-CoA polyketide synthase extender units.
Nat Commun, 7, 2016
|
|
7AEH
 | | SARS-CoV-2 main protease in a covalent complex with a pyridine derivative of ABT-957, compound 1 | | Descriptor: | (2~{R})-5-oxidanylidene-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | | Authors: | Owen, C.D, Redhead, M.A, Lukacik, P, Strain-Damerell, C, Fearon, D, Brewitz, L, Collette, A, Robinson, C, Collins, P, Radoux, C, Navratilova, I, Douangamath, A, von Delft, F, Malla, T.R, Nugen, T, Hull, H, Tumber, A, Schofield, C.J, Hallet, D, Stuart, D.I, Hopkins, A.L, Walsh, M.A. | | Deposit date: | 2020-09-17 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19.
Sci Rep, 11, 2021
|
|
5ING
 | | A crotonyl-CoA reductase-carboxylase independent pathway for assembly of unusual alkylmalonyl-CoA polyketide synthase extender unit | | Descriptor: | Putative carboxyl transferase | | Authors: | Valentic, T.R, Ray, L, Miyazawa, T, Song, L, Withall, D.M, Milligan, J.C, Takahashi, S, Osada, H, Tsai, S.C, Challis, G.L. | | Deposit date: | 2016-03-07 | | Release date: | 2016-12-28 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | A crotonyl-CoA reductase-carboxylase independent pathway for assembly of unusual alkylmalonyl-CoA polyketide synthase extender units.
Nat Commun, 7, 2016
|
|
5INF
 | | Structural basis for acyl-CoA carboxylase-mediated assembly of unusual polyketide synthase extender units incorporated into the stambomycin antibiotics | | Descriptor: | Carboxyl transferase, HEXANOYL-COENZYME A | | Authors: | Valentic, T.R, Ray, L, Miyazawa, T, Withall, D.M, Song, L, Osada, H, Tsai, S.C, Challis, G.L. | | Deposit date: | 2016-03-07 | | Release date: | 2016-12-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.751 Å) | | Cite: | A crotonyl-CoA reductase-carboxylase independent pathway for assembly of unusual alkylmalonyl-CoA polyketide synthase extender units.
Nat Commun, 7, 2016
|
|
7AEG
 | | SARS-CoV-2 main protease in a covalent complex with SDZ 224015 derivative, compound 5 | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(benzyloxy)carbonyl]-L-valyl-N-[(1S)-1-(carboxymethyl)-3-fluoro-2-oxopropyl]-L-alaninamide | | Authors: | Owen, C.D, Redhead, M.A, Lukacik, P, Strain-Damerell, C, Fearon, D, Brewitz, L, Collette, A, Robinson, C, Collins, P, Radoux, C, Navratilova, I, Douangamath, A, von Delft, F, Malla, T.R, Nugen, T, Hull, H, Tumber, A, Schofield, C.J, Hallet, D, Stuart, D.I, Hopkins, A.L, Walsh, M.A. | | Deposit date: | 2020-09-17 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19.
Sci Rep, 11, 2021
|
|
1K9F
 | | Crystal structure of a mutated family-67 alpha-D-glucuronidase (E285N) from Bacillus stearothermophilus T-6, complexed with aldotetraouronic acid | | Descriptor: | 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, GLYCEROL, alpha-D-glucuronidase | | Authors: | Golan, G, Shallom, D, Teplitsky, A, Zaide, G, Shulami, S, Baasov, T, Stojanoff, V, Thompson, A, Shoham, Y, Shoham, G. | | Deposit date: | 2001-10-29 | | Release date: | 2002-10-29 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal Structures of Geobacillus stearothermophilus {alpha}-Glucuronidase Complexed with Its Substrate and Products: MECHANISTIC IMPLICATIONS.
J.Biol.Chem., 279, 2004
|
|
1L8N
 | | The 1.5A crystal structure of alpha-D-glucuronidase from Bacillus stearothermophilus T-1, complexed with 4-O-methyl-glucuronic acid and xylotriose | | Descriptor: | 4-O-methyl-beta-D-glucopyranuronic acid, ALPHA-D-GLUCURONIDASE, GLYCEROL, ... | | Authors: | Golan, G, Shallom, D, Teplitsky, A, Zaide, G, Shulami, S, Baasov, T, Stojanoff, V, Thompson, A, Shoham, Y, Shoham, G. | | Deposit date: | 2002-03-21 | | Release date: | 2003-03-21 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal Structures of Geobacillus stearothermophilus {alpha}-Glucuronidase Complexed with Its Substrate and Products: MECHANISTIC IMPLICATIONS.
J.Biol.Chem., 279, 2004
|
|
1UHL
 | | Crystal structure of the LXRalfa-RXRbeta LBD heterodimer | | Descriptor: | (2E,4E)-11-METHOXY-3,7,11-TRIMETHYLDODECA-2,4-DIENOIC ACID, 10-mer peptide from Nuclear receptor coactivator 2, N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE, ... | | Authors: | Svensson, S, Ostberg, T, Jacobsson, M, Norstrom, C, Stefansson, K, Hallen, D, Johansson, I.C, Zachrisson, K, Ogg, D, Jendeberg, L. | | Deposit date: | 2003-07-03 | | Release date: | 2004-06-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of the heterodimeric complex of LXRalpha and RXRbeta ligand-binding domains in a fully agonistic conformation
Embo J., 22, 2003
|
|
2WEY
 | | Human PDE-papaverine complex obtained by ligand soaking of cross- linked protein crystals | | Descriptor: | 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE, ... | | Authors: | Andersen, O.A, Schonfeld, D.L, Toogood-Johnson, I, Felicetti, B, Albrecht, C, Fryatt, T, Whittaker, M, Hallett, D, Barker, J. | | Deposit date: | 2009-04-02 | | Release date: | 2009-07-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Cross-Linking of Protein Crystals as an Aid in the Generation of Binary Protein-Ligand Crystal Complexes, Exemplified by the Human Pde10A-Papaverine Structure.
Acta Crystallogr.,Sect.D, 65, 2009
|
|
1MQQ
 | | THE CRYSTAL STRUCTURE OF ALPHA-D-GLUCURONIDASE FROM BACILLUS STEAROTHERMOPHILUS T-1 COMPLEXED WITH GLUCURONIC ACID | | Descriptor: | ALPHA-D-GLUCURONIDASE, GLYCEROL, alpha-D-glucopyranuronic acid | | Authors: | Golan, G, Shallom, D, Teplitsky, A, Zaide, G, Shulami, S, Baasov, T, Stojanoff, V, Thompson, A, Shoham, Y, Shoham, G. | | Deposit date: | 2002-09-17 | | Release date: | 2003-09-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structures of Geobacillus stearothermophilus alpha-glucuronidase complexed with its substrate and products: mechanistic implications.
J.Biol.Chem., 279, 2004
|
|
3MSK
 | | Fragment Based Discovery and Optimisation of BACE-1 Inhibitors | | Descriptor: | 4-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-cyclohexyl-N-methylbutanamide, Beta-secretase 1, GLYCEROL, ... | | Authors: | Smith, M.A, Madden, J.M, Barker, J, Godemann, R, Kraemer, J, Hallett, D. | | Deposit date: | 2010-04-29 | | Release date: | 2010-07-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Fragment-based discovery and optimization of BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
|
|
1K9E
 | | Crystal structure of a mutated family-67 alpha-D-glucuronidase (E285N) from Bacillus stearothermophilus T-6, complexed with 4-O-methyl-glucuronic acid | | Descriptor: | 4-O-methyl-alpha-D-glucopyranuronic acid, GLYCEROL, alpha-D-glucuronidase | | Authors: | Golan, G, Shallom, D, Teplitsky, A, Zaide, G, Shulami, S, Baasov, T, Stojanoff, V, Thompson, A, Shoham, Y, Shoham, G. | | Deposit date: | 2001-10-29 | | Release date: | 2002-10-29 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structures of Geobacillus stearothermophilus {alpha}-Glucuronidase Complexed with Its Substrate and Products: MECHANISTIC IMPLICATIONS.
J.Biol.Chem., 279, 2004
|
|
1MQR
 | | THE CRYSTAL STRUCTURE OF ALPHA-D-GLUCURONIDASE (E386Q) FROM BACILLUS STEAROTHERMOPHILUS T-6 | | Descriptor: | ALPHA-D-GLUCURONIDASE, GLYCEROL | | Authors: | Golan, G, Shallom, D, Teplitsky, A, Zaide, G, Shulami, S, Baasov, T, Stojanoff, V, Thompson, A, Shoham, Y, Shoham, G. | | Deposit date: | 2002-09-17 | | Release date: | 2003-09-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structures of Geobacillus stearothermophilus {alpha}-Glucuronidase Complexed with Its Substrate and Products: MECHANISTIC IMPLICATIONS.
J.Biol.Chem., 279, 2004
|
|
1QW8
 | | Crystal structure of a family 51 alpha-L-arabinofuranosidase in complex with Ara-alpha(1,3)-Xyl | | Descriptor: | Alpha-L-arabinofuranosidase, alpha-L-arabinofuranose-(1-3)-beta-D-xylopyranose | | Authors: | Hoevel, K, Shallom, D, Niefind, K, Belakhov, V, Shoham, G, Bassov, T, Shoham, Y, Schomburg, D. | | Deposit date: | 2003-09-01 | | Release date: | 2003-10-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure and snapshots along the reaction pathway of a family 51 alpha-L-arabinofuranosidase
Embo J., 22, 2003
|
|
1MQP
 | | THE CRYSTAL STRUCTURE OF ALPHA-D-GLUCURONIDASE FROM BACILLUS STEAROTHERMOPHILUS T-6 | | Descriptor: | GLYCEROL, alpha-D-glucuronidase | | Authors: | Golan, G, Shallom, D, Teplitsky, A, Zaide, G, Shulami, S, Baasov, T, Stojanoff, V, Thompson, A, Shoham, Y, Shoham, G. | | Deposit date: | 2002-09-17 | | Release date: | 2003-09-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of Geobacillus stearothermophilus alpha-glucuronidase complexed with its substrate and products: mechanistic implications.
J.Biol.Chem., 279, 2004
|
|
