7OFT
 
 | | Structure of SARS-CoV-2 Papain-like protease PLpro in complex with p-hydroxybenzaldehyde | | 分子名称: | CHLORIDE ION, P-HYDROXYBENZALDEHYDE, POTASSIUM ION, ... | | 著者 | Srinivasan, V, Werner, N, Falke, S, Guenther, S, Reinke, P, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Ewert, W, Sprenger, J, Lieske, J, Koua, F, Ginn, H, Lane, T.J, Wolf, M, Yefanov, O, Gelisio, L, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C. | | 登録日 | 2021-05-05 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease.
Commun Biol, 5, 2022
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4ZZN
 | | Human ERK2 in complex with an inhibitor | | 分子名称: | 2-[[5-chloranyl-2-(oxan-4-ylamino)pyridin-4-yl]amino]-N-methyl-benzamide, MITOGEN-ACTIVATED PROTEIN KINASE 1, SULFATE ION | | 著者 | Ward, R.A, Colclough, N, Challinor, M, Debreczeni, J.E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, James, M, Jones, C.D, Jones, C.R, Renshaw, J, Roberts, K, Snow, L, Tonge, M, Yeung, K. | | 登録日 | 2015-04-10 | | 公開日 | 2015-05-27 | | 最終更新日 | 2015-08-26 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | Structure-Guided Design of Highly Selective and Potent Covalent Inhibitors of Erk1/2.
J.Med.Chem., 58, 2015
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6MRS
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1A6N
 | | DEOXY-MYOGLOBIN, ATOMIC RESOLUTION | | 分子名称: | MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | 著者 | Vojtechovsky, J, Chu, K, Berendzen, J, Sweet, R.M, Schlichting, I. | | 登録日 | 1998-02-26 | | 公開日 | 1999-04-06 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | Crystal structures of myoglobin-ligand complexes at near-atomic resolution.
Biophys.J., 77, 1999
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5AJW
 | | Human PFKFB3 in complex with an indole inhibitor 2 | | 分子名称: | 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, ... | | 著者 | 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. | | 登録日 | 2015-02-27 | | 公開日 | 2015-04-22 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
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5U14
 | | E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: 4-{2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]ethyl}benzene-1-sulfonamide | | 分子名称: | 4-{2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]ethyl}benzene-1-sulfonamide, Dihydropteroate synthase | | 著者 | Dennis, M.L, Peat, T.S, Swarbrick, J.D. | | 登録日 | 2016-11-27 | | 公開日 | 2017-12-06 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.953 Å) | | 主引用文献 | 8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase.
Chemistry, 24, 2018
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3NKK
 | | Trypsin in complex with fluorine containing fragment | | 分子名称: | 3-fluoro-4-methylbenzenecarboximidamide, CALCIUM ION, Cationic trypsin, ... | | 著者 | Schiering, N, Vulpetti, A, Dalvit, C. | | 登録日 | 2010-06-20 | | 公開日 | 2010-11-10 | | 最終更新日 | 2017-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | | 主引用文献 | Combined use of computational chemistry, NMR screening, and X-ray crystallography for identification and characterization of fluorophilic protein environments.
Proteins, 78, 2010
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5LI3
 | | Crystal structure of HDAC-like protein from P. aeruginosa in complex with a photo-switchable inhibitor. | | 分子名称: | (2E)-N-hydroxy-3-{4-[(E)-(1,3,5-trimethyl-1H-pyrazol-4-yl)diazenyl]phenyl}prop-2-enamide, Acetoin utilization protein, POTASSIUM ION, ... | | 著者 | Kraemer, A, Meyer-Almes, F.J, Yildiz, O. | | 登録日 | 2016-07-14 | | 公開日 | 2016-11-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Toward Photopharmacological Antimicrobial Chemotherapy Using Photoswitchable Amidohydrolase Inhibitors.
ACS Infect Dis, 3, 2017
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1OND
 | | THE CRYSTAL STRUCTURE OF THE 50S LARGE RIBOSOMAL SUBUNIT FROM DEINOCOCCUS RADIODURANS COMPLEXED WITH TROLEANDOMYCIN MACROLIDE ANTIBIOTIC | | 分子名称: | 23S RIBOSOMAL RNA, 50S ribosomal protein L22, 50S ribosomal protein L32, ... | | 著者 | Berisio, R, Schluenzen, F, Harms, J, Bashan, A, Auerbach, T, Baram, D, Yonath, A. | | 登録日 | 2003-02-27 | | 公開日 | 2003-04-15 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Structural insight into the role of the ribosomal tunnel in cellular regulation
Nat.Struct.Biol., 10, 2003
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5TRJ
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6HMP
 | | Crystal structure of human Casein Kinase I delta in complex with a photoswitchable 2-Azoimidazole-based Inhibitor (compound 3) | | 分子名称: | 3-(2,5-dimethoxyphenyl)-~{N}-[4-[5-(4-fluorophenyl)-2-[(~{E})-(4-fluorophenyl)diazenyl]-3-methyl-imidazol-4-yl]pyridin-2-yl]propanamide, Casein kinase I isoform delta, PHOSPHATE ION | | 著者 | Pichlo, C, Schehr, M, Charl, J, Brunstein, E, Peifer, C, Baumann, U. | | 登録日 | 2018-09-12 | | 公開日 | 2019-09-11 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.039 Å) | | 主引用文献 | 2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach.
Photochem. Photobiol. Sci., 18, 2019
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4ZZM
 | | Human ERK2 in complex with an irreversible inhibitor | | 分子名称: | 7-ethylsulfonyl-N-(oxan-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine, MITOGEN-ACTIVATED PROTEIN KINASE 1, SULFATE ION | | 著者 | Ward, R.A, Colclough, N, Challinor, M, Debreczeni, J.E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, James, M, Jones, C.D, Jones, C.R, Renshaw, J, Roberts, K, Snow, L, Tonge, M, Yeung, K. | | 登録日 | 2015-04-10 | | 公開日 | 2015-05-27 | | 最終更新日 | 2015-08-26 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Structure-Guided Design of Highly Selective and Potent Covalent Inhibitors of Erk1/2.
J.Med.Chem., 58, 2015
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7NTN
 | | The structure of RRM domain of human TRMT2A at 2 A resolution | | 分子名称: | CHLORIDE ION, SODIUM ION, SULFATE ION, ... | | 著者 | Davydova, E, Janowski, R, Witzenberger, M, Niessing, D. | | 登録日 | 2021-03-10 | | 公開日 | 2022-01-19 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.016 Å) | | 主引用文献 | Small-molecule modulators of TRMT2A decrease PolyQ aggregation and PolyQ-induced cell death.
Comput Struct Biotechnol J, 20, 2022
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5AK0
 | | Human PFKFB3 in complex with an indole inhibitor 6 | | 分子名称: | (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, ... | | 著者 | 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. | | 登録日 | 2015-02-27 | | 公開日 | 2015-04-22 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
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1A6M
 | | OXY-MYOGLOBIN, ATOMIC RESOLUTION | | 分子名称: | MYOGLOBIN, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Vojtechovsky, J, Chu, K, Berendzen, J, Sweet, R.M, Schlichting, I. | | 登録日 | 1998-02-26 | | 公開日 | 1999-04-06 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Crystal structures of myoglobin-ligand complexes at near-atomic resolution.
Biophys.J., 77, 1999
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6NUK
 | | De novo designed protein Ferredog-Diesel | | 分子名称: | Ferredog-Diesel | | 著者 | Koepnick, B, Bick, M.J, DiMaio, F, Norgard-Solano, T, Baker, D. | | 登録日 | 2019-02-01 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | De novo protein design by citizen scientists.
Nature, 570, 2019
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1A6G
 | | CARBONMONOXY-MYOGLOBIN, ATOMIC RESOLUTION | | 分子名称: | CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Vojtechovsky, J, Chu, K, Berendzen, J, Sweet, R.M, Schlichting, I. | | 登録日 | 1998-02-25 | | 公開日 | 1998-10-21 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | Crystal structures of myoglobin-ligand complexes at near-atomic resolution.
Biophys.J., 77, 1999
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8ALK
 | | Structure of the Legionella phosphocholine hydrolase Lem3 in complex with its substrate Rab1 | | 分子名称: | 2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxyethyl-[3-(2-chloranylethanoylamino)propyl]-dimethyl-azanium, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Kaspers, M.S, Pett, C, Hedberg, C, Itzen, A, Pogenberg, V. | | 登録日 | 2022-08-01 | | 公開日 | 2023-04-12 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Dephosphocholination by Legionella effector Lem3 functions through remodelling of the switch II region of Rab1b.
Nat Commun, 14, 2023
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8AGG
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1EUB
 | | SOLUTION STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN COLLAGENASE-3 (MMP-13) COMPLEXED TO A POTENT NON-PEPTIDIC SULFONAMIDE INHIBITOR | | 分子名称: | 1-METHYLOXY-4-SULFONE-BENZENE, 3-METHYLPYRIDINE, CALCIUM ION, ... | | 著者 | Zhang, X, Gonnella, N.C, Koehn, J, Pathak, N, Ganu, V, Melton, R, Parker, D, Hu, S.I, Nam, K.Y. | | 登録日 | 2000-04-14 | | 公開日 | 2001-04-14 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of the catalytic domain of human collagenase-3 (MMP-13) complexed to a potent non-peptidic sulfonamide inhibitor: binding comparison with stromelysin-1 and collagenase-1.
J.Mol.Biol., 301, 2000
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1CNW
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1P9X
 | | THE CRYSTAL STRUCTURE OF THE 50S LARGE RIBOSOMAL SUBUNIT FROM DEINOCOCCUS RADIODURANS COMPLEXED WITH TELITHROMYCIN KETOLIDE ANTIBIOTIC | | 分子名称: | 23S RIBOSOMAL RNA, TELITHROMYCIN | | 著者 | Berisio, R, Harms, J, Schluenzen, F, Zarivach, R, Hansen, H.A, Fucini, P, Yonath, A. | | 登録日 | 2003-05-13 | | 公開日 | 2003-08-05 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Structural insight into the antibiotic action of telithromycin against resistant mutants
J.Bacteriol., 185, 2003
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5U49
 | | Wild-type Transthyretin in complex with 5-[(1E)-2-(2-Chloro-4-hydroxyphenyl)ethenyl]-1,3-benzenediol | | 分子名称: | 5-[(E)-2-(2-chloro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol, Transthyretin | | 著者 | Windsor, I.W, Smith, T.P, Raines, R.T, Forest, K.T. | | 登録日 | 2016-12-03 | | 公開日 | 2017-09-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Stilbene Boronic Acids Form a Covalent Bond with Human Transthyretin and Inhibit Its Aggregation.
J. Med. Chem., 60, 2017
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4BUT
 | | Crystal structure of human tankyrase 2 in complex with 4-(4-oxo-3,4- dihydroquinazolin-2-yl)benzene-1-sulfonamide | | 分子名称: | 4-(4-oxidanylidene-3H-quinazolin-2-yl)benzenesulfonamide, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Haikarainen, T, Narwal, M, Lehtio, L. | | 登録日 | 2013-06-24 | | 公開日 | 2013-10-30 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
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4CI5
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