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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2QVN
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2PGR
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2PGF
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2E1W
 | | Crystal structure of adenosine deaminase complexed with potent inhibitors | | Descriptor: | 1-{(1R,2S)-2-HYDROXY-1-[2-(1-NAPHTHYL)ETHYL]PROPYL}-1H-IMIDAZOLE-4-CARBOXAMIDE, Adenosine deaminase, ZINC ION | | Authors: | Kinoshita, T. | | Deposit date: | 2006-10-30 | | Release date: | 2006-11-07 | | Last modified: | 2024-03-13 | | 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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2AMX
 | | Crystal structure of Plasmodium Yoelii Adenosine deaminase (PY02076) | | Descriptor: | COBALT (II) ION, UNKNOWN ATOM OR ION, adenosine deaminase | | Authors: | Dong, A, Vedadi, M, Wasney, G, Zhao, Y, Lew, J, Alam, Z, Melone, M, Koeieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-08-10 | | Release date: | 2005-09-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
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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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2BGN
 | | HIV-1 Tat protein derived N-terminal nonapeptide Trp2-Tat(1-9) bound to the active site of Dipeptidyl peptidase IV (CD26) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Weihofen, W.A, Liu, J, Reutter, W, Saenger, W, Fan, H. | | Deposit date: | 2005-01-03 | | Release date: | 2005-01-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Crystal Structures of HIV-1 Tat-Derived Nonapeptides Tat-(1-9) and Trp2-Tat-(1-9) Bound to the Active Site of Dipeptidyl-Peptidase Iv (Cd26)
J.Biol.Chem., 280, 2005
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1W1I
 | | Crystal structure of dipeptidyl peptidase IV (DPPIV or CD26) in complex with adenosine deaminase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Weihofen, W.A, Liu, J, Reutter, W, Saenger, W, Fan, H. | | Deposit date: | 2004-06-22 | | Release date: | 2004-09-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.03 Å) | | Cite: | Crystal structure of CD26/dipeptidyl-peptidase IV in complex with adenosine deaminase reveals a highly amphiphilic interface.
J. Biol. Chem., 279, 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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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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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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1UML
 | | Crystal structure of adenosine deaminase complexed with a potent inhibitor FR233624 | | Descriptor: | 1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(3-PHENYLPROPANOYL)AMINO]-1H-INDOL-1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE, Adenosine deaminase, ZINC ION | | Authors: | Kinoshita, T. | | Deposit date: | 2003-10-03 | | Release date: | 2004-09-21 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 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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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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1KRM
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1A4M
 | | ADA STRUCTURE COMPLEXED WITH PURINE RIBOSIDE AT PH 7.0 | | Descriptor: | 6-HYDROXY-1,6-DIHYDRO PURINE NUCLEOSIDE, ADENOSINE DEAMINASE, ZINC ION | | Authors: | Wang, Z, Quiocho, F.A. | | Deposit date: | 1998-01-31 | | Release date: | 1998-10-14 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Complexes of adenosine deaminase with two potent inhibitors: X-ray structures in four independent molecules at pH of maximum activity.
Biochemistry, 37, 1998
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1A4L
 | | ADA STRUCTURE COMPLEXED WITH DEOXYCOFORMYCIN AT PH 7.0 | | Descriptor: | 2'-DEOXYCOFORMYCIN, ADENOSINE DEAMINASE, ZINC ION | | Authors: | Wang, Z, Quiocho, F.A. | | Deposit date: | 1998-01-31 | | Release date: | 1998-10-14 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Complexes of adenosine deaminase with two potent inhibitors: X-ray structures in four independent molecules at pH of maximum activity.
Biochemistry, 37, 1998
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1UIP
 | | ADENOSINE DEAMINASE (HIS 238 GLU MUTANT) | | Descriptor: | ADENOSINE DEAMINASE, PURINE RIBOSIDE, ZINC ION | | Authors: | Wilson, D.K, Quiocho, F.A. | | Deposit date: | 1996-08-30 | | Release date: | 1997-06-24 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Site-directed mutagenesis of histidine 238 in mouse adenosine deaminase: substitution of histidine 238 does not impede hydroxylate formation.
Biochemistry, 35, 1996
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1UIO
 | | ADENOSINE DEAMINASE (HIS 238 ALA MUTANT) | | Descriptor: | 6-HYDROXY-7,8-DIHYDRO PURINE NUCLEOSIDE, ADENOSINE DEAMINASE, ZINC ION | | Authors: | Wilson, D.K, Quiocho, F.A. | | Deposit date: | 1996-08-30 | | Release date: | 1997-06-24 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Site-directed mutagenesis of histidine 238 in mouse adenosine deaminase: substitution of histidine 238 does not impede hydroxylate formation.
Biochemistry, 35, 1996
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