3AH9
| Crystal structure of (Pro-Pro-Gly)9 at 1.1 A resolution | Descriptor: | ACETIC ACID, AZIDE ION, collagen-like peptide | Authors: | Okuyama, K, Morimoto, T, Hongo, C, Hosaka, N, Nishino, N. | Deposit date: | 2010-04-22 | Release date: | 2011-04-06 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Crystal structure of (Pro-Pro-Gly)9 To be Published
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3A6E
| W174F mutant creatininase, type I | Descriptor: | CACODYLATE ION, Creatinine amidohydrolase, MANGANESE (II) ION, ... | Authors: | Nakajima, Y, Yamashita, K, Ito, K, Yoshimoto, T. | Deposit date: | 2009-08-31 | Release date: | 2010-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Substitution of Glu122 by glutamine revealed the function of the second water molecule as a proton donor in the binuclear metal enzyme creatininase J.Mol.Biol., 396, 2010
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3A6K
| The E122Q mutant creatininase, Mn-Zn type | Descriptor: | CHLORIDE ION, Creatinine amidohydrolase, MANGANESE (II) ION, ... | Authors: | Nakajima, Y, Yamashita, K, Ito, K, Yoshimoto, T. | Deposit date: | 2009-09-02 | Release date: | 2010-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Substitution of Glu122 by glutamine revealed the function of the second water molecule as a proton donor in the binuclear metal enzyme creatininase J.Mol.Biol., 396, 2010
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3A6H
| W154A mutant creatininase | Descriptor: | CHLORIDE ION, Creatinine amidohydrolase, MANGANESE (II) ION, ... | Authors: | Nakajima, Y, Yamashita, K, Ito, K, Yoshimoto, T. | Deposit date: | 2009-08-31 | Release date: | 2010-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Substitution of Glu122 by glutamine revealed the function of the second water molecule as a proton donor in the binuclear metal enzyme creatininase J.Mol.Biol., 396, 2010
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3A6L
| E122Q mutant creatininase, Zn-Zn type | Descriptor: | CHLORIDE ION, Creatinine amidohydrolase, ZINC ION | Authors: | Nakajima, Y, Yamashita, K, Ito, K, Yoshimoto, T. | Deposit date: | 2009-09-02 | Release date: | 2010-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Substitution of Glu122 by glutamine revealed the function of the second water molecule as a proton donor in the binuclear metal enzyme creatininase J.Mol.Biol., 396, 2010
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3KL6
| Discovery of Tetrahydropyrimidin-2(1H)-one derivative TAK-442: A potent, selective and orally active factor Xa inhibitor | Descriptor: | 1,2-ETHANEDIOL, 1-(1-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}piperidin-4-yl)tetrahydropyrimidin-2(1H)-one, CALCIUM ION, ... | Authors: | Aertgeerts, K. | Deposit date: | 2009-11-06 | Release date: | 2009-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Discovery of a tetrahydropyrimidin-2(1H)-one derivative (TAK-442) as a potent, selective, and orally active factor Xa inhibitor. J.Med.Chem., 53, 2010
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1C4E
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5LYT
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5LYZ
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4LYZ
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3LYZ
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2LYZ
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8LYZ
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6LYZ
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6LYT
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1LYZ
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3UG2
| Crystal structure of the mutated EGFR kinase domain (G719S/T790M) in complex with gefitinib | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, Gefitinib | Authors: | Parker, L.J, Handa, N, Yoshikawa, S, Kukimoto-Niino, M, Shirouzu, M, Yokoyama, S. | Deposit date: | 2011-11-02 | Release date: | 2012-03-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for the altered drug sensitivities of non-small cell lung cancer-associated mutants of human epidermal growth factor receptor Oncogene, 32, 2013
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8H2G
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1IPF
| TROPINONE REDUCTASE-II COMPLEXED WITH NADPH AND TROPINONE | Descriptor: | 8-METHYL-8-AZABICYCLO[3,2,1]OCTAN-3-ONE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TROPINONE REDUCTASE-II | Authors: | Yamashita, A, Endo, M, Higashi, T, Nakatsu, T, Yamada, Y, Oda, J, Kato, H, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2001-05-09 | Release date: | 2003-06-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Capturing Enzyme Structure Prior to Reaction Initiation: Tropinone Reductase-II-Substrate Complexes BIOCHEMISTRY, 42, 2003
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1AHH
| 7 ALPHA-HYDROXYSTEROID DEHYDROGENASE COMPLEXED WITH NAD+ | Descriptor: | 7 ALPHA-HYDROXYSTEROID DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Tanaka, N, Nonaka, T, Mitsui, Y. | Deposit date: | 1995-08-25 | Release date: | 1996-10-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of the binary and ternary complexes of 7 alpha-hydroxysteroid dehydrogenase from Escherichia coli. Biochemistry, 35, 1996
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1AHI
| 7 ALPHA-HYDROXYSTEROID DEHYDROGENASE COMPLEXED WITH NADH AND 7-OXO GLYCOCHENODEOXYCHOLIC ACID | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 7 ALPHA-HYDROXYSTEROID DEHYDROGENASE, GLYCOCHENODEOXYCHOLIC ACID | Authors: | Tanaka, N, Nonaka, T, Mitsui, Y. | Deposit date: | 1995-08-25 | Release date: | 1996-10-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of the binary and ternary complexes of 7 alpha-hydroxysteroid dehydrogenase from Escherichia coli. Biochemistry, 35, 1996
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7ZZO
| HDAC2 in complex with an inhibitor | Descriptor: | 2-(cyclohexylazaniumyl)ethanesulfonate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-25 | Release date: | 2022-09-21 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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7ZZT
| Ligand binding to HDAC2 | Descriptor: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-26 | Release date: | 2022-09-21 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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7ZZS
| HDAC2 complexed with an inhibitory ligand | Descriptor: | (5~{S})-5-(4-chlorophenyl)pyrrolidin-2-one, 1,2-ETHANEDIOL, 2-(cyclohexylazaniumyl)ethanesulfonate, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-26 | Release date: | 2022-09-21 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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7ZZP
| Structure of HDAC2 complexed with an inhibitory ligand | Descriptor: | (2S)-2-HYDROXYPROPANOIC ACID, 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-25 | Release date: | 2022-09-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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