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2ACU
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BU of 2acu by Molmil
TYROSINE-48 IS THE PROTON DONOR AND HISTIDINE-110 DIRECTS SUBSTRATE STEREOCHEMICAL SELECTIVITY IN THE REDUCTION REACTION OF HUMAN ALDOSE REDUCTASE: ENZYME KINETICS AND THE CRYSTAL STRUCTURE OF THE Y48H MUTANT ENZYME
分子名称: ALDOSE REDUCTASE, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Bohren, K.M, Grimshaw, C.E, Lai, C.-J, Gabbay, K.H, Petsko, G.A, Harrison, D.H, Ringe, D.
登録日1994-04-15
公開日1994-07-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Tyrosine-48 is the proton donor and histidine-110 directs substrate stereochemical selectivity in the reduction reaction of human aldose reductase: enzyme kinetics and crystal structure of the Y48H mutant enzyme.
Biochemistry, 33, 1994
1XGD
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BU of 1xgd by Molmil
Apo R268A human aldose reductase
分子名称: Aldose reductase
著者Brownlee, J.M, Bohren, K.M, Milne, A.C, Gabbay, K.H, Harrison, D.H.T.
登録日2004-09-16
公開日2005-03-29
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The structure of Apo R268A human aldose reductase: Hinges and latches that control the kinetic mechanism
Biochim.Biophys.Acta, 1748, 2005
2ACS
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BU of 2acs by Molmil
AN ANION BINDING SITE IN HUMAN ALDOSE REDUCTASE: MECHANISTIC IMPLICATIONS FOR THE BINDING OF CITRATE, CACODYLATE, AND GLUCOSE-6-PHOSPHATE
分子名称: ALDOSE REDUCTASE, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Harrison, D.H, Bohren, K.M, Gabbay, K.H, Petsko, G.A, Ringe, D.
登録日1994-04-15
公開日1994-07-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献An anion binding site in human aldose reductase: mechanistic implications for the binding of citrate, cacodylate, and glucose 6-phosphate.
Biochemistry, 33, 1994
2ACR
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BU of 2acr by Molmil
AN ANION BINDING SITE IN HUMAN ALDOSE REDUCTASE: MECHANISTIC IMPLICATIONS FOR THE BINDING OF CITRATE, CACODYLATE, AND GLUCOSE-6-PHOSPHATE
分子名称: ALDOSE REDUCTASE, CACODYLATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Harrison, D.H, Bohren, K.M, Gabbay, K.H, Petsko, G.A, Ringe, D.
登録日1994-04-15
公開日1994-07-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献An anion binding site in human aldose reductase: mechanistic implications for the binding of citrate, cacodylate, and glucose 6-phosphate.
Biochemistry, 33, 1994
2ACQ
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BU of 2acq by Molmil
AN ANION BINDING SITE IN HUMAN ALDOSE REDUCTASE: MECHANISTIC IMPLICATIONS FOR THE BINDING OF CITRATE, CACODYLATE, AND GLUCOSE-6-PHOSPHATE
分子名称: 6-O-phosphono-alpha-D-glucopyranose, ALDOSE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Harrison, D.H, Bohren, K.M, Gabbay, K.H, Petsko, G.A, Ringe, D.
登録日1994-04-15
公開日1994-07-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献An anion binding site in human aldose reductase: mechanistic implications for the binding of citrate, cacodylate, and glucose 6-phosphate.
Biochemistry, 33, 1994
1AZ2
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BU of 1az2 by Molmil
CITRATE BOUND, C298A/W219Y MUTANT HUMAN ALDOSE REDUCTASE
分子名称: ALDOSE REDUCTASE, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Harrison, D.H, Bohren, K.M, Ringe, D, Petsko, G.A, Gabbay, K.H.
登録日1997-11-24
公開日1998-03-18
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The alrestatin double-decker: binding of two inhibitor molecules to human aldose reductase reveals a new specificity determinant.
Biochemistry, 36, 1997
1AZ1
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ALRESTATIN BOUND TO C298A/W219Y MUTANT HUMAN ALDOSE REDUCTASE
分子名称: ALDOSE REDUCTASE, ALRESTATIN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Harrison, D.H.T, Bohren, K.M, Petsko, G.A, Ringe, D, Gabbay, K.H.
登録日1997-11-24
公開日1998-03-18
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The alrestatin double-decker: binding of two inhibitor molecules to human aldose reductase reveals a new specificity determinant.
Biochemistry, 36, 1997
8VF6
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Crystal structure of Serine/threonine-protein kinase 33 (STK33) Kinase Domain in complex with inhibitor CDD-2211
分子名称: Serine/threonine-protein kinase 33, {3-[([1,1'-biphenyl]-2-yl)ethynyl]-1H-indazol-5-yl}[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
著者Ta, H.M, Kim, C, Ku, K.A, Matzuk, M.M.
登録日2023-12-21
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Reversible male contraception by targeted inhibition of serine/threonine kinase 33.
Science, 384, 2024
7URB
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Sars-Cov2 Main Protease in complex with CDD-1733
分子名称: (2P)-2-(isoquinolin-4-yl)-1-[(1s,3R)-3-(methylcarbamoyl)cyclobutyl]-N-{(1S)-1-[4-(trifluoromethyl)phenyl]butyl}-1H-benzimidazole-7-carboxamide, 3C-like proteinase
著者Lu, S, Palzkill, T, Matzuk, M.M, Judge, A.
登録日2022-04-21
公開日2023-07-26
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献DNA-encoded chemical libraries yield non-covalent and non-peptidic SARS-CoV-2 main protease inhibitors.
Commun Chem, 6, 2023
7UR9
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BU of 7ur9 by Molmil
SARS-Cov2 Main protease in complex with inhibitor CDD-1845
分子名称: (2P)-2-(isoquinolin-4-yl)-1-[4-(methylamino)-4-oxobutyl]-N-[(1S)-1-(naphthalen-2-yl)ethyl]-1H-benzimidazole-7-carboxamide, 3C-like proteinase nsp5
著者Lu, S, Palzkill, T.
登録日2022-04-21
公開日2023-07-26
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献DNA-encoded chemical libraries yield non-covalent and non-peptidic SARS-CoV-2 main protease inhibitors.
Commun Chem, 6, 2023
7US4
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BU of 7us4 by Molmil
Sars-Cov2 Main Protease in complex with CDD-1819
分子名称: (2P)-2-(isoquinolin-4-yl)-1-[(1s,3R)-3-(methylcarbamoyl)cyclobutyl]-N-[(1S)-1-(naphthalen-2-yl)ethyl]-1H-benzimidazole-7-carboxamide, 3C-like proteinase
著者Lu, S, Palzkill, T, Matzuk, M.M, Judge, A.
登録日2022-04-22
公開日2023-07-26
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献DNA-encoded chemical libraries yield non-covalent and non-peptidic SARS-CoV-2 main protease inhibitors.
Commun Chem, 6, 2023
1ADS
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BU of 1ads by Molmil
AN UNLIKELY SUGAR SUBSTRATE SITE IN THE 1.65 ANGSTROMS STRUCTURE OF THE HUMAN ALDOSE REDUCTASE HOLOENZYME IMPLICATED IN DIABETIC COMPLICATIONS
分子名称: ALDOSE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Wilson, D.K, Quiocho, F.A.
登録日1992-07-08
公開日1993-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献An unlikely sugar substrate site in the 1.65 A structure of the human aldose reductase holoenzyme implicated in diabetic complications.
Science, 257, 1992
1MAR
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BU of 1mar by Molmil
REFINED 1.8 ANGSTROMS STRUCTURE OF HUMAN ALDOSE REDUCTASE COMPLEXED WITH THE POTENT INHIBITOR ZOPOLRESTAT
分子名称: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, ALDOSE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Wilson, D.K, Quiocho, F.A.
登録日1993-07-20
公開日1995-07-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Refined 1.8 A structure of human aldose reductase complexed with the potent inhibitor zopolrestat.
Proc.Natl.Acad.Sci.USA, 90, 1993
7LTN
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Crystal structure of Mpro in complex with inhibitor CDD-1713
分子名称: 2-[4-(1~{H}-indazol-4-yl)-2-methanoyl-6-methoxy-phenoxy]-~{N},~{N}-dimethyl-ethanamide, 3C-like proteinase
著者Lu, S, Palzkill, T, Matzuk, M, Young, D, Melek, N, Chamakuri, S.
登録日2021-02-19
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献DNA-encoded chemistry technology yields expedient access to SARS-CoV-2 M pro inhibitors.
Proc.Natl.Acad.Sci.USA, 118, 2021

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