5JRD
| E. coli Hydrogenase-1 variant P508A | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE3-S4 CLUSTER, ... | Authors: | Carr, S.B, Phillips, S.E.V, Armstrong, F.A, Evans, R.M, Brooke, E.J, Islam, S.T.A. | Deposit date: | 2016-05-06 | Release date: | 2017-03-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Importance of the Active Site "Canopy" Residues in an O2-Tolerant [NiFe]-Hydrogenase. Biochemistry, 56, 2017
|
|
5MSF
| MS2 PROTEIN CAPSID/RNA COMPLEX | Descriptor: | 5'-R(*CP*CP*GP*GP*AP*GP*GP*AP*UP*CP*AP*CP*CP*AP*CP*GP*GP*G)-3', MS2 PROTEIN CAPSID | Authors: | Rowsell, S, Stonehouse, N.J, Convery, M.A, Adams, C.J, Ellington, A.D, Hirao, I, Peabody, D.S, Stockley, P.G, Phillips, S.E.V. | Deposit date: | 1998-05-15 | Release date: | 1998-11-11 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structures of a series of RNA aptamers complexed to the same protein target. Nat.Struct.Biol., 5, 1998
|
|
6GOM
| KRAS-169 Q61H GPPNHP + PPIN-1 | Descriptor: | (6~{S})-1-(1~{H}-imidazol-4-ylcarbonyl)-6-[(4-phenylphenyl)methyl]-4-propyl-1,4-diazepan-5-one, CITRIC ACID, GTPase KRas, ... | Authors: | Cruz-Migoni, A, Canning, P, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H. | Deposit date: | 2018-06-01 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
|
|
3ZR9
| Structure of New Delhi Metallo-Beta-lactamase 1 (NDM-1) | Descriptor: | BETA-LACTAMASE NDM-1, CADMIUM ION, COBALT (II) ION, ... | Authors: | Green, V.L, Verma, A, Owens, R.J, Phillips, S.E.V, Carr, S.B. | Deposit date: | 2011-06-15 | Release date: | 2011-06-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Structure of New Delhi Metallo-Beta-Lactamase 1 (Ndm-1). Acta Crystallogr.,Sect.F, 67, 2011
|
|
6GQW
| KRAS-169 Q61H GPPNHP + CH-1 | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H. | Deposit date: | 2018-06-08 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
|
|
6GQT
| KRAS-169 Q61H GPPNHP + PPIN-2 | Descriptor: | CITRIC ACID, GTPase KRas, MAGNESIUM ION, ... | Authors: | Cruz-Migoni, A, Canning, P, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H. | Deposit date: | 2018-06-08 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
|
|
6GQX
| KRAS-169 Q61H GPPNHP + CH-2 | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H. | Deposit date: | 2018-06-08 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
|
|
4UE3
| The Mechanism of Hydrogen Activation by NiFe-hydrogenases and the Importance of the active site Arginine | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE3-S4 CLUSTER, ... | Authors: | Evans, R.M, Wehlin, S.A.M, Nomerotskaia, E, Sargent, F, Carr, S.B, Phillips, S.E.V, Armstrong, F.A. | Deposit date: | 2014-12-15 | Release date: | 2014-12-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Mechanism of Hydrogen Activation by [Nife] Hydrogenases. Nat.Chem.Biol., 12, 2016
|
|
5ADU
| The Mechanism of Hydrogen Activation by NiFe-hydrogenases | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Evans, R, Brooke, E.J, Wehlin, S.A, Nomerotskaia, E, Sargent, F, Carr, S.B, Phillips, S.E.V, Armstrong, F.A. | Deposit date: | 2015-08-24 | Release date: | 2015-11-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Mechanism of hydrogen activation by [NiFe] hydrogenases. Nat. Chem. Biol., 12, 2016
|
|
4PGM
| |
4BCU
| Satellite Tobacco Necrosis Virus (STNV) virus like particle in complex with the B3 aptamer | Descriptor: | CALCIUM ION, COAT PROTEIN | Authors: | Ford, R.J, Barker, A.M, Bakker, S.E, Coutts, R.H, Ranson, N.A, Phillips, S.E.V, Pearson, A.R, Stockley, P.G. | Deposit date: | 2012-10-03 | Release date: | 2013-01-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Sequence-Specific, RNA-Protein Interactions Overcome Electrostatic Barriers Preventing Assembly of Satellite Tobacco Necrosis Virus Coat Protein. J.Mol.Biol., 425, 2013
|
|
5LMM
| Structure of E coli Hydrogenase Hyd-1 mutant E28Q | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, ... | Authors: | Carr, S.B, Phillips, S.E.V, Evans, R.M, Brooke, E.J, Armstrong, F.A. | Deposit date: | 2016-08-01 | Release date: | 2017-08-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Kinetic consequences of re-engineering the outer shell "canopy" above the active site of a [NiFe]-hydrogenase. To Be Published
|
|
4AUE
| Crystal structure, recombinant expression and mutagenesis studies of the bifunctional catalase-phenol oxidase from Scytalidium thermophilum | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Yuzugullu, Y, Trinh, C.H, Smith, M.A, Pearson, A.R, Phillips, S.E.V, Sutay Kocabas, D, Bakir, U, Ogel, Z.B, McPherson, M.J. | Deposit date: | 2012-05-17 | Release date: | 2013-02-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure, Recombinant Expression and Mutagenesis Studies of the Catalase with Oxidase Activity from Scytalidium Thermophilum Acta Crystallogr.,Sect.D, 69, 2013
|
|
4AUM
| Crystal structure, recombinant expression and mutagenesis studies of the bifunctional catalase-phenol oxidase from Scytalidium thermophilum | Descriptor: | CALCIUM ION, CATALASE-PHENOL OXIDASE, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, ... | Authors: | Yuzugullu, Y, Trinh, C.H, Smith, M.A, Pearson, A.R, Phillips, S.E.V, Sutay Kocabas, D, Bakir, U, Ogel, Z.B, McPherson, M.J. | Deposit date: | 2012-05-18 | Release date: | 2013-02-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure, Recombinant Expression and Mutagenesis Studies of the Catalase with Oxidase Activity from Scytalidium Thermophilum Acta Crystallogr.,Sect.D, 69, 2013
|
|
4AUN
| Crystal structure, recombinant expression and mutagenesis studies of the bifunctional catalase-phenol oxidase from Scytalidium thermophilum | Descriptor: | CALCIUM ION, CATALASE-PHENOL OXIDASE, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE | Authors: | Yuzugullu, Y, Trinh, C.H, Smith, M.A, Pearson, A.R, Phillips, S.E.V, Sutay Kocabas, D, Bakir, U, Ogel, Z.B, McPherson, M.J. | Deposit date: | 2012-05-18 | Release date: | 2013-02-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structure, Recombinant Expression and Mutagenesis Studies of the Catalase with Oxidase Activity from Scytalidium Thermophilum Acta Crystallogr.,Sect.D, 69, 2013
|
|
4AUL
| Crystal structure, recombinant expression and mutagenesis studies of the bifunctional catalase-phenol oxidase from Scytalidium thermophilum | Descriptor: | CALCIUM ION, CATALASE-PHENOL OXIDASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Yuzugullu, Y, Trinh, C.H, Smith, M.A, Pearson, A.R, Phillips, S.E.V, Sutay Kocabas, D, Bakir, U, Ogel, Z.B, McPherson, M.J. | Deposit date: | 2012-05-18 | Release date: | 2013-02-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure, Recombinant Expression and Mutagenesis Studies of the Catalase with Oxidase Activity from Scytalidium Thermophilum Acta Crystallogr.,Sect.D, 69, 2013
|
|
7UI5
| Evolution avoids a pathological stabilizing interaction in the immune protein S100A9 | Descriptor: | CALCIUM ION, Protein S100-A9 | Authors: | Reardon, P.N, Harman, J.L, Costello, S.M, Warren, G.D, Phillips, S.R, Connor, P.J, Marqusee, S, Harms, M.J. | Deposit date: | 2022-03-28 | Release date: | 2022-10-26 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Evolution avoids a pathological stabilizing interaction in the immune protein S100A9. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
5FO5
| Structure of the DNA-binding domain of Escherichia coli methionine biosynthesis regulator MetR | Descriptor: | 1,2-ETHANEDIOL, HTH-TYPE TRANSCRIPTIONAL REGULATOR METR, MAGNESIUM ION | Authors: | Punekar, A.S, Porter, J, Urbanowski, M.L, Stauffer, G.V, Carr, S.B, Phillips, S.E. | Deposit date: | 2015-11-18 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structural Basis for DNA Recognition by the Transcription Regulator Metr. Acta Crystallogr.,Sect.F, 72, 2016
|
|
6FA2
| Antibody derived (Abd-5) small molecule binding to KRAS. | Descriptor: | 4-[2-(dimethylamino)ethoxy]-~{N}-[[(3~{R})-5-(6-methoxypyridin-2-yl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide, GTPase KRas, MAGNESIUM ION, ... | Authors: | Quevedo, C.E, Cruz-Migoni, A, Ehebauer, M.T, Carr, S.B, Phillips, S.V.E, Rabbitts, T.H. | Deposit date: | 2017-12-15 | Release date: | 2018-09-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment. Nat Commun, 9, 2018
|
|
6FA4
| Antibody derived (Abd-7) small molecule binding to KRAS. | Descriptor: | 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{N}-[4-[(dimethylamino)methyl]phenyl]-2-methoxy-pyridin-3-amine, GTPase KRas, MAGNESIUM ION, ... | Authors: | Quevedo, C.E, Cruz-Migoni, A, Ehebauer, M.T, Carr, S.B, Phillips, S.V.E, Rabbitts, T.H. | Deposit date: | 2017-12-15 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment. Nat Commun, 9, 2018
|
|
6FA1
| Antibody derived (Abd-4) small molecule binding to KRAS. | Descriptor: | 2-[4-[[(3~{R})-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]phenoxy]ethyl-dimethyl-azanium, GTPase KRas, MAGNESIUM ION, ... | Authors: | Quevedo, C.E, Cruz-Migoni, A, Ehebauer, M.T, Carr, S.B, Phillips, S.V.E, Rabbitts, T.H. | Deposit date: | 2017-12-15 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment. Nat Commun, 9, 2018
|
|
7MSF
| MS2 PROTEIN CAPSID/RNA COMPLEX | Descriptor: | 5'-R(*UP*CP*GP*CP*CP*AP*AP*CP*AP*GP*GP*CP*GP*G)-3', MS2 PROTEIN CAPSID | Authors: | Rowsell, S, Stonehouse, N.J, Convery, M.A, Adams, C.J, Ellington, A.D, Hirao, I, Peabody, D.S, Stockley, P.G, Phillips, S.E.V. | Deposit date: | 1998-05-20 | Release date: | 1998-11-11 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structures of a series of RNA aptamers complexed to the same protein target. Nat.Struct.Biol., 5, 1998
|
|
1GOH
| |
6F76
| Antibody derived (Abd-8) small molecule binding to KRAS. | Descriptor: | 4-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{N}-[3-[(dimethylamino)methyl]phenyl]-2-methoxy-aniline, GTPase KRas, MAGNESIUM ION, ... | Authors: | Bery, N, Cruz-Migoni, A, Quevedo, C.E, Phillips, S.V.E, Carr, S, Rabbitts, T.H. | Deposit date: | 2017-12-07 | Release date: | 2018-08-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | BRET-based RAS biosensors that show a novel small molecule is an inhibitor of RAS-effector protein-protein interactions. Elife, 7, 2018
|
|
1GOG
| |