4PCS
 
 | | Crystal structure of a bacterial fucosidase with iminosugar (2S,3S,4R,5S)-3,4-dihydroxy-2-[2'-phenyl]ethynyl-5-methylpyrrolidine | | 分子名称: | (2S,3R,4S,5S)-2-methyl-5-(phenylethynyl)pyrrolidine-3,4-diol, Alpha-L-fucosidase, IMIDAZOLE, ... | | 著者 | Davies, G.J, Wright, D.W, Behr, J.B. | | 登録日 | 2014-04-16 | | 公開日 | 2014-07-09 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Exploiting the Hydrophobic Terrain in Fucosidases with Aryl-Substituted Pyrrolidine Iminosugars.
Chembiochem, 16, 2015
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5CNC
 | | Ultrafast dynamics in myoglobin: 0.6 ps time delay | | 分子名称: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | | 登録日 | 2015-07-17 | | 公開日 | 2015-09-16 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
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1IIH
 | | STRUCTURE OF TRYPANOSOMA BRUCEI BRUCEI TRIOSEPHOSPHATE ISOMERASE COMPLEXED WITH 3-PHOSPHOGLYCERATE | | 分子名称: | 3-PHOSPHOGLYCERIC ACID, TRIOSEPHOSPHATE ISOMERASE | | 著者 | Noble, M.E, Wierenga, R.K, Lambeir, A.M, Opperdoes, F.R, Thunnissen, A.M, Kalk, K.H, Groendijk, H, Hol, W.G.J. | | 登録日 | 2001-04-23 | | 公開日 | 2001-05-11 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The adaptability of the active site of trypanosomal triosephosphate isomerase as observed in the crystal structures of three different complexes.
Proteins, 10, 1991
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5G37
 | | MR structure of the binary mosquito larvicide BinAB at pH 5 | | 分子名称: | 41.9 KDA INSECTICIDAL TOXIN, LARVICIDAL TOXIN 51 KDA PROTEIN | | 著者 | Colletier, J.P, Sawaya, M.R, Gingery, M, Rodriguez, J.A, Cascio, D, Brewster, A.S, Michels-Clark, T, Boutet, S, Williams, G.J, Messerschmidt, M, DePonte, D.P, Sierra, R.G, Laksmono, H, Koglin, J.E, Hunter, M.S, W Park, H, Uervirojnangkoorn, M, Bideshi, D.L, Brunger, A.T, Federici, B.A, Sauter, N.K, Eisenberg, D.S. | | 登録日 | 2016-04-24 | | 公開日 | 2016-10-05 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | De Novo Phasing with X-Ray Laser Reveals Mosquito Larvicide Binab Structure.
Nature, 539, 2016
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7PUO
 | | Structure of a fused 4-OT variant engineered for asymmetric Michael addition reactions | | 分子名称: | 2-hydroxymuconate tautomerase,Chains: A,B,C,D,E,F,2-hydroxymuconate tautomerase, CHLORIDE ION, GLYCEROL | | 著者 | Rozeboom, H.J, Thunnissen, A.M.W.H, Poelarends, G.J. | | 登録日 | 2021-09-30 | | 公開日 | 2022-01-26 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Gene Fusion and Directed Evolution to Break Structural Symmetry and Boost Catalysis by an Oligomeric C-C Bond-Forming Enzyme.
Angew.Chem.Int.Ed.Engl., 61, 2022
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5G4O
 | | Crystal structure of the p53 cancer mutant Y220C in complex with a trifluorinated derivative of the small molecule stabilizer Phikan083 | | 分子名称: | CELLULAR TUMOR ANTIGEN P53, N,N-dimethyl-1-[9-(2,2,2-trifluoroethyl)-9H-carbazol-3-yl]methanamine, ZINC ION | | 著者 | Joerger, A.C, Bauer, M, Baud, M.G.J, Spencer, J. | | 登録日 | 2016-05-13 | | 公開日 | 2016-06-22 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Harnessing Fluorine-Sulfur Contacts and Multipolar Interactions for the Design of P53 Mutant Y220C Rescue Drugs.
Acs Chem.Biol., 11, 2016
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1IPS
 | | ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (MANGANESE COMPLEX) | | 分子名称: | ISOPENICILLIN N SYNTHASE, MANGANESE (II) ION | | 著者 | Roach, P.L, Clifton, I.J, Fulop, V, Harlos, K, Barton, G.J, Hajdu, J, Andersson, I, Schofield, C.J, Baldwin, J.E. | | 登録日 | 1997-03-21 | | 公開日 | 1998-03-25 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structure of isopenicillin N synthase is the first from a new structural family of enzymes.
Nature, 375, 1995
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1IVY
 | | PHYSIOLOGICAL DIMER HPP PRECURSOR | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Rudenko, G, Bonten, E, D'Azzo, A, Hol, W.G.J. | | 登録日 | 1996-06-12 | | 公開日 | 1997-04-21 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Three-dimensional structure of the human 'protective protein': structure of the precursor form suggests a complex activation mechanism.
Structure, 3, 1995
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4NC3
 | | Crystal structure of the 5-HT2B receptor solved using serial femtosecond crystallography in lipidic cubic phase. | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHOLESTEROL, ... | | 著者 | Liu, W, Wacker, D, Gati, C, Han, G.W, James, D, Wang, D, Nelson, G, Weierstall, U, Katritch, V, Barty, A, Zatsepin, N.A, Li, D, Messerschmidt, M, Boutet, S, Williams, G.J, Koglin, J.E, Seibert, M.M, Wang, C, Shah, S.T.A, Basu, S, Fromme, R, Kupitz, C, Rendek, K.N, Grotjohann, I, Fromme, P, Kirian, R.A, Beyerlein, K.R, White, T.A, Chapman, H.N, Caffrey, M, Spence, J.C.H, Stevens, R.C, Cherezov, V, GPCR Network (GPCR) | | 登録日 | 2013-10-23 | | 公開日 | 2013-12-18 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Serial femtosecond crystallography of G protein-coupled receptors.
Science, 342, 2013
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5DPV
 | | Aurora A Kinase in Complex with AA35 and JNJ-7706621 in Space Group P6122 | | 分子名称: | 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid, 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Aurora kinase A | | 著者 | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | | 登録日 | 2015-09-14 | | 公開日 | 2016-07-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.285 Å) | | 主引用文献 | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
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5DT0
 | | Aurora A Kinase in Complex with JNJ-7706621 in Space Group P6122 | | 分子名称: | 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Aurora kinase A | | 著者 | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | | 登録日 | 2015-09-17 | | 公開日 | 2016-07-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
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5DR9
 | | Aurora A Kinase in Complex with AA29 and JNJ-7706621 in Space Group P6122 | | 分子名称: | 2-(3-bromophenyl)-6-chloroquinoline-4-carboxylic acid, 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Aurora kinase A | | 著者 | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | | 登録日 | 2015-09-15 | | 公開日 | 2016-07-20 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | | 主引用文献 | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
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7PZH
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7PZG
 | | Phocaeicola vulgatus sialic acid esterase at 1.44 Angstrom resolution | | 分子名称: | 1,2-ETHANEDIOL, Lysophospholipase L1, MAGNESIUM ION, ... | | 著者 | Scott, H, Armstrong, Z, Davies, G.J. | | 登録日 | 2021-10-12 | | 公開日 | 2022-05-25 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | The structure of Phocaeicola vulgatus sialic acid acetylesterase.
Acta Crystallogr D Struct Biol, 78, 2022
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5DR2
 | | Aurora A Kinase in Complex with AA30 and ATP in Space Group P6122 | | 分子名称: | 2-(3-bromophenyl)quinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ... | | 著者 | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | | 登録日 | 2015-09-15 | | 公開日 | 2016-07-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
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5DT4
 | | Aurora A Kinase in Complex with AA35 and ATP in Space Group P6122 | | 分子名称: | 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ... | | 著者 | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | | 登録日 | 2015-09-17 | | 公開日 | 2016-07-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.86 Å) | | 主引用文献 | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
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4NCK
 | | Crystal Structure of Pyrococcus furiosis Rad50 R797G mutation | | 分子名称: | CHLORIDE ION, DNA double-strand break repair Rad50 ATPase, MAGNESIUM ION, ... | | 著者 | Classen, S, Williams, G.J, Arvai, A.S, Williams, R.S. | | 登録日 | 2013-10-24 | | 公開日 | 2014-03-05 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | ATP-driven Rad50 conformations regulate DNA tethering, end resection, and ATM checkpoint signaling.
Embo J., 33, 2014
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5HDR
 | | Crystal structure of a bacterial fucosidase with iminocyclitol (2S,3S,4R,5S)-3,4-dihydroxy-2-ethynyl-5-methylpyrrolidine | | 分子名称: | Alpha-L-fucosidase, IMIDAZOLE, SULFATE ION, ... | | 著者 | Wright, D.W, Davies, G.J. | | 登録日 | 2016-01-05 | | 公開日 | 2016-02-03 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of a bacterial fucosidase with iminocyclitol (2S,3S,4R,5S)-3,4-dihydroxy-2-ethynyl-5-methylpyrrolidine
To Be Published
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5E9B
 | | Crystal structure of human heparanase in complex with HepMer M09S05a | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid, CHLORIDE ION, ... | | 著者 | Wu, L, Davies, G.J. | | 登録日 | 2015-10-14 | | 公開日 | 2015-11-18 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Structural characterization of human heparanase reveals insights into substrate recognition.
Nat.Struct.Mol.Biol., 22, 2015
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5E98
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1JQY
 | | HEAT-LABILE ENTEROTOXIN B-PENTAMER WITH LIGAND BMSC-0010 | | 分子名称: | (3-NITRO-5-(3-MORPHOLIN-4-YL-PROPYLAMINOCARBONYL)PHENYL)-GALACTOPYRANOSIDE, HEAT-LABILE ENTEROTOXIN B CHAIN | | 著者 | Merritt, E.A, Hol, W.G.J. | | 登録日 | 2001-08-09 | | 公開日 | 2002-05-08 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Anchor-based design of improved cholera toxin and E. coli heat-labile enterotoxin receptor binding antagonists that display multiple binding modes.
Chem.Biol., 9, 2002
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1BE0
 | | HALOALKANE DEHALOGENASE AT PH 5.0 CONTAINING ACETIC ACID | | 分子名称: | ACETATE ION, ACETIC ACID, HALOALKANE DEHALOGENASE | | 著者 | Ridder, I.S, Vos, G.J, Rozeboom, H.J, Kalk, K.H, Dijkstra, B.W. | | 登録日 | 1998-05-18 | | 公開日 | 1998-11-11 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Kinetic analysis and X-ray structure of haloalkane dehalogenase with a modified halide-binding site.
Biochemistry, 37, 1998
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1BI2
 | | STRUCTURE OF APO-AND HOLO-DIPHTHERIA TOXIN REPRESSOR | | 分子名称: | DIPHTHERIA TOXIN REPRESSOR | | 著者 | Pohl, E, Hol, W.G.J. | | 登録日 | 1998-06-21 | | 公開日 | 1999-06-22 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Motion of the DNA-binding domain with respect to the core of the diphtheria toxin repressor (DtxR) revealed in the crystal structures of apo- and holo-DtxR.
J.Biol.Chem., 273, 1998
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1JVZ
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5DOS
 | | Aurora A Kinase in Complex with AA35 and ATP in Space Group P6122 | | 分子名称: | 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ... | | 著者 | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | | 登録日 | 2015-09-11 | | 公開日 | 2016-07-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.98 Å) | | 主引用文献 | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
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