1KRM
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1IEI
| CRYSTAL STRUCTURE OF HUMAN ALDOSE REDUCTASE COMPLEXED WITH THE INHIBITOR ZENARESTAT. | Descriptor: | ALDOSE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [3-(4-BROMO-2-FLUORO-BENZYL)-7-CHLORO-2,4-DIOXO-3,4-DIHYDRO-2H-QUINAZOLIN-1-YL]-ACETIC ACID | Authors: | Kinoshita, T, Miyake, H, Fujii, T, Takakura, S, Goto, T. | Deposit date: | 2001-04-09 | Release date: | 2002-04-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The structure of human recombinant aldose reductase complexed with the potent inhibitor zenarestat. Acta Crystallogr.,Sect.D, 58, 2002
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2ZOQ
| Structural dissection of human mitogen-activated kinase ERK1 | Descriptor: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, Mitogen-activated protein kinase 3, SODIUM ION, ... | Authors: | Kinoshita, T, Tada, T, Nakae, S, Yoshida, I. | Deposit date: | 2008-06-01 | Release date: | 2009-04-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Crystal structure of human mono-phosphorylated ERK1 at Tyr204 Biochem.Biophys.Res.Commun., 377, 2008
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2Z7G
| Crystal structure of adenosine deaminase ligated with EHNA | Descriptor: | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-2-ol, Adenosine deaminase, ZINC ION | Authors: | Kinoshita, T. | Deposit date: | 2007-08-20 | Release date: | 2008-07-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Conformational change of adenosine deaminase during ligand-exchange in a crystal Biochem.Biophys.Res.Commun., 373, 2008
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1NDV
| Crystal Structure of Adenosine Deaminase complexed with FR117016 | Descriptor: | Adenosine deaminase, N''-(4-(5-((1H-BENZIMIDAZOL-2-YLAMINO)METHYL)-2-THIENYL)-1,3-THIAZOL-2-YL)GUANIDINE, ZINC ION | Authors: | Kinoshita, T. | Deposit date: | 2002-12-09 | Release date: | 2003-12-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A highly potent non-nucleoside adenosine deaminase inhibitor: efficient drug discovery by intentional lead hybridization J.Am.Chem.Soc., 126, 2004
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1NDW
| Crystal Structure of Adenosine Deaminase Complexed with FR221647 | Descriptor: | 1-((1R)-1-(HYDROXYMETHYL)-3-PHENYLPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE, Adenosine Deaminase, ZINC ION | Authors: | Kinoshita, T. | Deposit date: | 2002-12-09 | Release date: | 2003-12-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A highly potent non-nucleoside adenosine deaminase inhibitor: efficient drug discovery by intentional lead hybridization J.Am.Chem.Soc., 126, 2004
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1NDY
| Crystal Structure of Adenosine Deaminase Complexed with FR230513 | Descriptor: | 1-((1R)-1-(HYDROXYMETHYL)-3-(1-NAPHTHYL)PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE, Adenosine Deaminase, ZINC ION | Authors: | Kinoshita, T. | Deposit date: | 2002-12-09 | Release date: | 2003-12-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A highly potent non-nucleoside adenosine deaminase inhibitor: efficient drug discovery by intentional lead hybridization J.Am.Chem.Soc., 126, 2004
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1NDZ
| Crystal Structure of Adenosine Deaminase Complexed with FR235999 | Descriptor: | 1-((1R)-1-(HYDROXYMETHYL)-3-(6-((3-(1-METHYL-1H-BENZIMIDAZOL-2-YL)PROPANOYL)AMINO)-1H-INDOL-1-YL)PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE, Adenosine Deaminase, ZINC ION | Authors: | Kinoshita, T. | Deposit date: | 2002-12-09 | Release date: | 2003-12-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A highly potent non-nucleoside adenosine deaminase inhibitor: efficient drug discovery by intentional lead hybridization J.Am.Chem.Soc., 126, 2004
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1MMJ
| Porcine pancreatic elastase complexed with a potent peptidyl inhibitor, FR136706 | Descriptor: | 2-[4-[[(S)-1-[[(S)-2-[[(RS)-3,3,3-TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL]AMINOCARBONYL]PYRROLIDIN-1-YL-]CARBONYL]-2-METHYLPROPYL]AMINOCARBONYL]BENZOYLAMINO]ACETIC ACID, CALCIUM ION, SULFATE ION, ... | Authors: | Kinoshita, T. | Deposit date: | 2002-09-04 | Release date: | 2002-12-23 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | True interaction mode of porcine pancreatic elastase with FR136706, a
potent peptidyl inhibitor Bioorg.Med.Chem.Lett., 13, 2003
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7CBX
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1O5R
| Crystal structure of adenosine deaminase complexed with a potent inhibitor | Descriptor: | 1-[(1R)-3-(6-{[(BENZYLAMINO)CARBONYL]AMINO}-1H-INDOL-1-YL)-1-(HYDROXYMETHYL)PROPYL]-1H-IMIDAZOLE-4-CARBOXAMIDE, Adenosine deaminase, ZINC ION | Authors: | Kinoshita, T. | Deposit date: | 2003-10-05 | Release date: | 2004-09-21 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure-based design, synthesis, and structure-activity relationship studies of novel non-nucleoside adenosine deaminase inhibitors J.Med.Chem., 47, 2004
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1QXL
| Crystal structure of Adenosine deaminase complexed with FR235380 | Descriptor: | 1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(5-PHENYLPENTANOYL)AMINO]-1H-INDOL-1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE, Adenosine deaminase, ZINC ION | Authors: | Kinoshita, T. | Deposit date: | 2003-09-08 | Release date: | 2004-09-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure-based design, synthesis, and structure-activity relationship studies of novel non-nucleoside adenosine deaminase inhibitors J.Med.Chem., 47, 2004
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1V7A
| Crystal structures of adenosine deaminase complexed with potent inhibitors | Descriptor: | 1-{(1R,2S)-2-HYDROXY-1-[2-(2-NAPHTHYLOXY)ETHYL]PROPYL}-1H-IMIDAZONE-4-CARBOXAMIDE, ZINC ION, adenosine deaminase | Authors: | Kinoshita, T. | Deposit date: | 2003-12-14 | Release date: | 2004-12-21 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-based design and synthesis of non-nucleoside, potent, and orally bioavailable adenosine deaminase inhibitors J.Med.Chem., 47, 2004
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1V79
| Crystal structures of adenosine deaminase complexed with potent inhibitors | Descriptor: | 1-{(1R,2S)-1-[2-(2,3,-DICHLOROPHENYL)ETHYL]-2-HYDROXYPROPYL}-1H-IMIDAZOLE-4-CARBOXAMIDE, Adenosine deaminase, ZINC ION | Authors: | Kinoshita, T. | Deposit date: | 2003-12-14 | Release date: | 2004-12-21 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-based design and synthesis of non-nucleoside, potent, and orally bioavailable adenosine deaminase inhibitors J.Med.Chem., 47, 2004
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1VFL
| Adenosine deaminase | Descriptor: | Adenosine deaminase, ZINC ION | Authors: | Kinoshita, T. | Deposit date: | 2004-04-16 | Release date: | 2005-08-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis of Compound Recognition by Adenosine Deaminase Biochemistry, 44, 2005
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1WXY
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1WXZ
| Crystal structure of adenosine deaminase ligated with a potent inhibitor | Descriptor: | 1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)-1,3-BENZOXAZOL-7-YL]ETHYL}-2-HYDROXYPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE, Adenosine deaminase, ZINC ION | Authors: | Kinoshita, T. | Deposit date: | 2005-02-02 | Release date: | 2005-08-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Rational design of non-nucleoside, potent, and orally bioavailable adenosine deaminase inhibitors: predicting enzyme conformational change and metabolism J.Med.Chem., 48, 2005
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3E3B
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3AT4
| Crystal structure of CK2alpha with pyradine derivertive | Descriptor: | Casein kinase II subunit alpha, [1-(6-{6-[(1-methylethyl)amino]-1H-indazol-1-yl}pyrazin-2-yl)-1H-pyrrol-3-yl]acetic acid | Authors: | Kinoshita, T. | Deposit date: | 2010-12-23 | Release date: | 2011-11-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A detailed thermodynamic profile of cyclopentyl and isopropyl derivatives binding to CK2 kinase Mol.Cell.Biochem., 356, 2011
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3AT3
| Crystal structure of CK2alpha with pyradine derivative | Descriptor: | (1-{6-[6-(cyclopentylamino)-1H-indazol-1-yl]pyrazin-2-yl}-1H-pyrrol-3-yl)acetic acid, Casein kinase II subunit alpha | Authors: | Kinoshita, T. | Deposit date: | 2010-12-23 | Release date: | 2011-11-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A detailed thermodynamic profile of cyclopentyl and isopropyl derivatives binding to CK2 kinase Mol.Cell.Biochem., 356, 2011
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3AT2
| Crystal structure of CK2alpha | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha | Authors: | Kinoshita, T. | Deposit date: | 2010-12-23 | Release date: | 2011-11-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A detailed thermodynamic profile of cyclopentyl and isopropyl derivatives binding to CK2 kinase Mol.Cell.Biochem., 356, 2011
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1TVO
| The structure of ERK2 in complex with a small molecule inhibitor | Descriptor: | 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE, Mitogen-activated protein kinase 1 | Authors: | Kinoshita, T. | Deposit date: | 2004-06-30 | Release date: | 2005-09-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Identification of a selective ERK inhibitor and structural determination of the inhibitor-ERK2 complex Biochem.Biophys.Res.Commun., 336, 2005
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1WZY
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3AXW
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1UK0
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