1UI8
| Site-directed mutagenesis of His592 involved in binding of copper ion in Arthrobacter globiformis amine oxidase | Descriptor: | COPPER (II) ION, Phenylethylamine oxidase | Authors: | Matsunami, H, Okajima, T, Hirota, S, Yamaguchi, H, Hori, H, Kuroda, S, Tanizawa, K. | Deposit date: | 2003-07-15 | Release date: | 2004-04-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Chemical rescue of a site-specific mutant of bacterial copper amine oxidase for generation of the topa quinone cofactor Biochemistry, 43, 2004
|
|
2E3A
| Crystal structure of the NO-bound form of Arthromyces ramosus peroxidase at 1.3 Angstroms resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NITRIC OXIDE, ... | Authors: | Fukuyama, K, Okada, T. | Deposit date: | 2006-11-22 | Release date: | 2007-03-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structures of cyanide, nitric oxide and hydroxylamine complexes of Arthromyces ramosusperoxidase at 100 K refined to 1.3 A resolution: coordination geometries of the ligands to the haem iron ACTA CRYSTALLOGR.,SECT.D, 63, 2007
|
|
2E39
| Crystal structure of the CN-bound form of Arthromyces ramosus peroxidase at 1.3 Angstroms resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CYANIDE ION, ... | Authors: | Fukuyama, K, Okada, T. | Deposit date: | 2006-11-22 | Release date: | 2007-03-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structures of cyanide, nitric oxide and hydroxylamine complexes of Arthromyces ramosusperoxidase at 100 K refined to 1.3 A resolution: coordination geometries of the ligands to the haem iron ACTA CRYSTALLOGR.,SECT.D, 63, 2007
|
|
2E3B
| Crystal structure of the HA-bound form of Arthromyces ramosus peroxidase at 1.3 Angstroms resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, HYDROXYAMINE, ... | Authors: | Fukuyama, K, Okada, T. | Deposit date: | 2006-11-22 | Release date: | 2007-03-20 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structures of cyanide, nitric oxide and hydroxylamine complexes of Arthromyces ramosusperoxidase at 100 K refined to 1.3 A resolution: coordination geometries of the ligands to the haem iron ACTA CRYSTALLOGR.,SECT.D, 63, 2007
|
|
7F8K
| |
2CH8
| Structure of the Epstein-Barr Virus Oncogene BARF1 | Descriptor: | 33 KDA EARLY PROTEIN, PLATINUM (II) ION, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Tarbouriech, N, Ruggiero, F, deTurenne-Tessier, M, Ooka, T, Burmeister, W.P. | Deposit date: | 2006-03-13 | Release date: | 2006-05-31 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the Epstein-Barr Virus Oncogene Barf1 J.Mol.Biol., 359, 2006
|
|
2ZWM
| |
3VOC
| Crystal structure of the catalytic domain of beta-amylase from paenibacillus polymyxa | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta/alpha-amylase, ... | Authors: | Nishimura, S, Fujioka, T, Nakaniwa, T, Tada, T. | Deposit date: | 2012-01-21 | Release date: | 2013-02-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural analysis by X-ray crystallography and small-angle scattering of the multi-domain beta-amylase from Paenibacillus polymyxa To be Published
|
|
3WKV
| Voltage-gated proton channel: VSOP/Hv1 chimeric channel | Descriptor: | Ion channel | Authors: | Takeshita, K, Sakata, S, Yamashita, E, Fujiwara, Y, Kawanabe, A, Kurokawa, T, Okochi, Y, Matsuda, M, Narita, H, Okamura, Y, Nakagawa, A. | Deposit date: | 2013-10-31 | Release date: | 2014-03-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.453 Å) | Cite: | X-ray crystal structure of voltage-gated proton channel. Nat.Struct.Mol.Biol., 21, 2014
|
|
3WA2
| High resolution crystal structure of copper amine oxidase from arthrobacter globiformis | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Murakawa, T, Hayashi, H, Sunami, T, Kurihara, K, Tamada, T, Kuroki, R, Suzuki, M, Tanizawa, K, Okajima, T. | Deposit date: | 2013-04-22 | Release date: | 2013-09-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | High-resolution crystal structure of copper amine oxidase from Arthrobacter globiformis: assignment of bound diatomic molecules as O2 Acta Crystallogr.,Sect.D, 69, 2013
|
|
3UON
| Structure of the human M2 muscarinic acetylcholine receptor bound to an antagonist | Descriptor: | (3R)-1-azabicyclo[2.2.2]oct-3-yl hydroxy(diphenyl)acetate, CHLORIDE ION, Human M2 muscarinic acetylcholine, ... | Authors: | Haga, K, Kruse, A.C, Asada, H, Yurugi-Kobayashi, T, Shiroishi, M, Zhang, C, Weis, W.I, Okada, T, Kobilka, B.K, Haga, T, Kobayashi, T. | Deposit date: | 2011-11-16 | Release date: | 2012-02-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of the human M2 muscarinic acetylcholine receptor bound to an antagonist. Nature, 482, 2012
|
|
3WA3
| Crystal structure of copper amine oxidase from arthrobacter globiformis in N2 condition | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Murakawa, T, Hayashi, H, Sunami, T, Kurihara, K, Tamada, T, Kuroki, R, Suzuki, M, Tanizawa, K, Okajima, T. | Deposit date: | 2013-04-22 | Release date: | 2013-09-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | High-resolution crystal structure of copper amine oxidase from Arthrobacter globiformis: assignment of bound diatomic molecules as O2 Acta Crystallogr.,Sect.D, 69, 2013
|
|
3VZV
| Crystal structure of human mdm2 with a dihydroimidazothiazole inhibitor | Descriptor: | 1-{[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-(propan-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]carbonyl}-N,N-dimethyl-L-prolinamide, E3 ubiquitin-protein ligase Mdm2 | Authors: | Shimizu, H, Katakura, S, Miyazaki, M, Naito, H, Sugimoto, Y, Kawato, H, Okayama, T, Soga, T. | Deposit date: | 2012-10-16 | Release date: | 2013-02-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Lead optimization of novel p53-MDM2 interaction inhibitors possessing dihydroimidazothiazole scaffold Bioorg.Med.Chem.Lett., 23, 2013
|
|
3W69
| Crystal structure of human mdm2 with a dihydroimidazothiazole inhibitor | Descriptor: | (5R,6S)-2-[((2S,5R)-2-{[(3R)-4-acetyl-3-methylpiperazin-1-yl]carbonyl}-5-ethylpyrrolidin-1-yl)carbonyl]-5,6-bis(4-chlorophenyl)-3-isopropyl-6-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | Authors: | Shimizu, H, Katakura, S, Miyazaki, M, Naito, H, Sugimoto, Y, Kawato, H, Okayama, T, Soga, T. | Deposit date: | 2013-02-12 | Release date: | 2013-06-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Synthesis and evaluation of novel orally active p53-MDM2 interaction inhibitors Bioorg.Med.Chem., 21, 2013
|
|
3VTZ
| |
1MQA
| Crystal structure of high affinity alphaL I domain in the absence of ligand or metal | Descriptor: | Integrin alpha-L | Authors: | Shimaoka, T, Xiao, T, Liu, J.-H, Yang, Y, Dong, Y, Jun, C.-D, Zhang, R, Takagi, J, Wang, J.-H, Springer, T.A. | Deposit date: | 2002-09-15 | Release date: | 2003-01-14 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of the aL I domain and its complex with ICAM-1 reveal a shape-shifting pathway for integrin regulation Cell(Cambridge,Mass.), 112, 2003
|
|
5JGB
| Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 10 | Descriptor: | N-(2-methoxy-4-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide, TAK1 kinase - TAB1 chimera fusion protein | Authors: | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | Deposit date: | 2016-04-20 | Release date: | 2016-07-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of a potent and highly selective transforming growth factor beta receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD) Bioorg.Med.Chem., 24, 2016
|
|
5JGD
| Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 12 | Descriptor: | N-(2-isopropoxy-3-(4-methylpiperazine-1-carbonyl)phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide, TAK1 kinase - TAB1 chimera fusion protein | Authors: | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | Deposit date: | 2016-04-20 | Release date: | 2016-07-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.101 Å) | Cite: | Discovery of a potent and highly selective transforming growth factor beta receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD) Bioorg.Med.Chem., 24, 2016
|
|
5JGA
| Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 11c | Descriptor: | N-[5-(4-methylpiperazine-1-carbonyl)[1,1'-biphenyl]-2-yl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide, TAK1 kinase - TAB1 chimera fusion protein | Authors: | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | Deposit date: | 2016-04-19 | Release date: | 2016-07-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of a potent and highly selective transforming growth factor beta receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD) Bioorg.Med.Chem., 24, 2016
|
|
5UVC
| Design, Synthesis, and Evaluation of the First Selective and Potent G-protein-Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure | Descriptor: | Beta-adrenergic receptor kinase 1, N-benzyl-3-({[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}amino)benzamide, SULFATE ION | Authors: | Hoffman, I.D, Lawson, J.D. | Deposit date: | 2017-02-20 | Release date: | 2017-07-26 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Design, Synthesis, and Evaluation of the Highly Selective and Potent G-Protein-Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure. J. Med. Chem., 60, 2017
|
|
5UUU
| Design, Synthesis, and Evaluation of the First Selective and Potent G-protein-Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-({[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}amino)-N-[2-(trifluoromethyl)benzyl]benzamide, Beta-adrenergic receptor kinase 1, ... | Authors: | Hoffman, I.D, Lawson, J.D. | Deposit date: | 2017-02-17 | Release date: | 2017-07-26 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design, Synthesis, and Evaluation of the Highly Selective and Potent G-Protein-Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure. J. Med. Chem., 60, 2017
|
|
5GJG
| Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 4 | Descriptor: | N-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(phenylcarbamoyl)phenyl)thiazole-4-carboxamide, TAK1 kinase - TAB1 chimera fusion protein | Authors: | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | Deposit date: | 2016-06-29 | Release date: | 2016-11-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Development of a Method for Converting a TAK1 Type I Inhibitor into a Type II or c-Helix-Out Inhibitor by Structure-Based Drug Design (SBDD) Chem.Pharm.Bull., 64, 2016
|
|
5GJD
| Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 2 | Descriptor: | 1-(4-((1H-pyrrolo[2,3-b]pyridin-4-yl)oxy)phenyl)-3-(5-(4-methylpiperazin-1-yl)naphthalen-2-yl)urea, TAK1 kinase - TAB1 chimera fusion protein | Authors: | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | Deposit date: | 2016-06-29 | Release date: | 2016-11-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Development of a Method for Converting a TAK1 Type I Inhibitor into a Type II or c-Helix-Out Inhibitor by Structure-Based Drug Design (SBDD) Chem.Pharm.Bull., 64, 2016
|
|
5GJF
| Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 3 | Descriptor: | N-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(3-phenylureido)phenyl)thiazole-4-carboxamide, TAK1 kinase - TAB1 chimera fusion protein | Authors: | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | Deposit date: | 2016-06-29 | Release date: | 2016-11-16 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Development of a Method for Converting a TAK1 Type I Inhibitor into a Type II or c-Helix-Out Inhibitor by Structure-Based Drug Design (SBDD) Chem.Pharm.Bull., 64, 2016
|
|
2YQ7
| Structure of Bcl-xL bound to BimLOCK | Descriptor: | BCL-2-LIKE PROTEIN 1, BCL-2-LIKE PROTEIN 11, GLYCEROL | Authors: | Smith, B.J, Czabotar, P.E. | Deposit date: | 2012-11-06 | Release date: | 2012-11-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Stabilizing the Pro-Apoptotic Bimbh3 Helix (Bimsahb) Does not Necessarily Enhance Affinity or Biological Activity. Acs Chem.Biol., 8, 2013
|
|