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1ADD
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BU of 1add by Molmil
A PRE-TRANSITION STATE MIMIC OF AN ENZYME: X-RAY STRUCTURE OF ADENOSINE DEAMINASE WITH BOUND 1-DEAZA-ADENOSINE AND ZINC-ACTIVATED WATER
Descriptor: 1-DEAZA-ADENOSINE, ADENOSINE DEAMINASE, ZINC ION
Authors:Wilson, D.K, Quiocho, F.A.
Deposit date:1992-12-22
Release date:1994-01-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A pre-transition-state mimic of an enzyme: X-ray structure of adenosine deaminase with bound 1-deazaadenosine and zinc-activated water.
Biochemistry, 32, 1993
2ADA
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BU of 2ada by Molmil
ATOMIC STRUCTURE OF ADENOSINE DEAMINASE COMPLEXED WITH A TRANSITION-STATE ANALOG: UNDERSTANDING CATALYSIS AND IMMUNODEFICIENCY MUTATIONS
Descriptor: 6-HYDROXY-7,8-DIHYDRO PURINE NUCLEOSIDE, ADENOSINE DEAMINASE, ZINC ION
Authors:Wilson, D.K, Quiocho, F.A.
Deposit date:1994-12-02
Release date:1995-03-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Atomic structure of adenosine deaminase complexed with a transition-state analog: understanding catalysis and immunodeficiency mutations.
Science, 252, 1991
1FKW
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BU of 1fkw by Molmil
MURINE ADENOSINE DEAMINASE (D295E)
Descriptor: ADENOSINE DEAMINASE, PURINE RIBOSIDE, ZINC ION
Authors:Wilson, D.K, Quiocho, F.A.
Deposit date:1996-02-29
Release date:1996-08-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Probing the functional role of two conserved active site aspartates in mouse adenosine deaminase.
Biochemistry, 35, 1996
1FKX
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BU of 1fkx by Molmil
MURINE ADENOSINE DEAMINASE (D296A)
Descriptor: 6-HYDROXY-1,6-DIHYDRO PURINE NUCLEOSIDE, ADENOSINE DEAMINASE, ZINC ION
Authors:Wilson, D.K, Quiocho, F.A.
Deposit date:1996-02-29
Release date:1996-08-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Probing the functional role of two conserved active site aspartates in mouse adenosine deaminase.
Biochemistry, 35, 1996
1UIP
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BU of 1uip by Molmil
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
1UIO
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BU of 1uio by Molmil
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
1A4M
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BU of 1a4m by Molmil
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
1A4L
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BU of 1a4l by Molmil
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
1KRM
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BU of 1krm by Molmil
Crystal structure of bovine adenosine deaminase complexed with 6-hydroxyl-1,6-dihydropurine riboside
Descriptor: 6-HYDROXY-1,6-DIHYDRO PURINE NUCLEOSIDE, ZINC ION, adenosine deaminase
Authors:Kinoshita, T.
Deposit date:2002-01-10
Release date:2003-01-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of bovine adenosine deaminase complexed with 6-hydroxy-1,6-dihydropurine riboside.
Acta Crystallogr.,Sect.D, 59, 2003
1NDV
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BU of 1ndv by Molmil
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
1NDY
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BU of 1ndy by Molmil
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
1NDW
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BU of 1ndw by Molmil
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
1NDZ
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BU of 1ndz by Molmil
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
1W1I
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BU of 1w1i by Molmil
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
1O5R
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BU of 1o5r by Molmil
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
1UML
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BU of 1uml by Molmil
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
1QXL
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BU of 1qxl by Molmil
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
1V7A
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BU of 1v7a by Molmil
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
1V79
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BU of 1v79 by Molmil
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
2BGN
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BU of 2bgn by Molmil
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
1VFL
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BU of 1vfl by Molmil
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
1WXY
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BU of 1wxy by Molmil
Crystal structure of adenosine deaminase ligated with a potent inhibitor
Descriptor: Adenosine deaminase, N-[4,5-BIS(4-HYDROXYPHENYL)-1,3-THIAZOL-2-YL]HEXANAMIDE, ZINC ION
Authors:Kinoshita, T.
Deposit date:2005-02-02
Release date:2005-08-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis of Compound Recognition by Adenosine Deaminase
Biochemistry, 44, 2005
1WXZ
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BU of 1wxz by Molmil
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
2AMX
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BU of 2amx by Molmil
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
2E1W
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BU of 2e1w by Molmil
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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