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3PJ8
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BU of 3pj8 by Molmil
Structure of CDK2 in complex with a Pyrazolo[4,3-d]pyrimidine Bioisostere of Roscovitine.
分子名称: (2R)-2-{[7-(benzylamino)-3-(propan-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]amino}butan-1-ol, Cell division protein kinase 2
著者McNae, I.W, Jorda, R, Havlicek, L, Strnad, M, Voller, J, Walkinshaw, M.D, Krystof, V.
登録日2010-11-09
公開日2011-04-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Pyrazolo[4,3-d]pyrimidine Bioisostere of Roscovitine: Evaluation of a Novel Selective Inhibitor of Cyclin-Dependent Kinases with Antiproliferative Activity.
J.Med.Chem., 54, 2011
2CLX
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BU of 2clx by Molmil
4-Arylazo-3,5-diamino-1H-pyrazole CDK Inhibitors: SAR Study, Crystal Structure in Complex with CDK2, Selectivity, and Cellular Effects
分子名称: 4-[(E)-(3,5-DIAMINO-1H-PYRAZOL-4-YL)DIAZENYL]PHENOL, CELL DIVISION PROTEIN KINASE 2
著者Krystof, V, Cankar, P, Frysova, I, Slouka, J, Kontopidis, G, Dzubak, P, Hajduch, M, Deazevedo, W.F, Paprskarova, M, Orsag, M, Rolcik, J, Latr, A, Fischer, P.M, Strnad, M.
登録日2006-05-02
公開日2006-11-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献4-Arylazo-3,5-Diamino-1H-Pyrazole Cdk Inhibitors: Sar Study, Crystal Structure in Complex with Cdk2, Selectivity, and Cellular Effects
J.Med.Chem., 49, 2006
2A0C
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BU of 2a0c by Molmil
Human CDK2 in complex with olomoucine II, a novel 2,6,9-trisubstituted purine cyclin-dependent kinase inhibitor
分子名称: 2-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}-9-ISOPROPYL-9H-PURIN-6-YL)AMINO]METHYL}PHENOL, Cell division protein kinase 2
著者Krystof, V, McNae, I.W, Walkinshaw, M.D, Fischer, P.M, Muller, P, Vojtesek, B, Orsag, M, Havlicek, L, Strnad, M.
登録日2005-06-16
公開日2006-01-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Antiproliferative activity of olomoucine II, a novel 2,6,9-trisubstituted purine cyclin-dependent kinase inhibitor
Cell.Mol.Life Sci., 62, 2005
6GVA
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BU of 6gva by Molmil
CDK2/cyclin A2 in complex with pyrazolo[4,3-d]pyrimidine inhibitor LGR4455
分子名称: 1,2-ETHANEDIOL, 5-(2-azanylethylsulfanyl)-3-propan-2-yl-~{N}-[(4-pyridin-2-ylphenyl)methyl]-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine, BROMIDE ION, ...
著者Skerlova, J, Rezacova, P.
登録日2018-06-20
公開日2019-05-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献3,5,7-Substituted Pyrazolo[4,3- d]pyrimidine Inhibitors of Cyclin-Dependent Kinases and Their Evaluation in Lymphoma Models.
J.Med.Chem., 62, 2019
7QHL
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BU of 7qhl by Molmil
Crystal structure of Cyclin-dependent kinase 2/cyclin A in complex with 3,5,7-Substituted pyrazolo[4,3-d]pyrimidine inhibitor 24
分子名称: 1,2-ETHANEDIOL, 5-(2-amino-1-ethyl)thio-3-cyclobutyl-7-[4-(pyrazol-1-yl)benzyl]amino-1(2)H-pyrazolo[4,3-d]pyrimidine, Cyclin-A2, ...
著者Djukic, S, Skerlova, J, Rezacova, P.
登録日2021-12-13
公開日2022-07-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献3,5,7-Substituted Pyrazolo[4,3- d ]Pyrimidine Inhibitors of Cyclin-Dependent Kinases and Cyclin K Degraders.
J.Med.Chem., 65, 2022
6C31
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BU of 6c31 by Molmil
Crystal structure of TetR family protein Rv0078 in complex with DNA
分子名称: DNA (5'-D(*GP*TP*TP*AP*CP*CP*GP*GP*CP*AP*GP*TP*CP*TP*GP*CP*TP*TP*GP*TP*AP*AP*A)-3'), DNA (5'-D(P*AP*CP*AP*AP*GP*CP*AP*GP*AP*CP*TP*GP*CP*CP*GP*GP*TP*AP*AP*C)-3'), TetR family transcriptional regulator
著者Hsu, H.C, Li, H.
登録日2018-01-09
公開日2018-07-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Cytokinin Signaling in Mycobacterium tuberculosis.
MBio, 9, 2018
5WM9
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BU of 5wm9 by Molmil
Crystal Structure of TetR family regulator Rv0078 from Mycobacterium tuberculosis
分子名称: Rv0078, SULFATE ION
著者Hsu, H.C, Li, H.
登録日2017-07-28
公開日2018-07-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85000288 Å)
主引用文献Cytokinin Signaling in Mycobacterium tuberculosis.
MBio, 9, 2018
5HQX
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BU of 5hqx by Molmil
Crystal structure of maize cytokinin oxidase/dehydrogenase 4 (ZmCKO4) in complex with phenylurea inhibitor HETDZ
分子名称: 1-[2-(2-hydroxyethyl)phenyl]-3-(1,2,3-thiadiazol-5-yl)urea, Cytokinin dehydrogenase 4, FLAVIN-ADENINE DINUCLEOTIDE
著者Kopecny, D, Koncitikova, R, Briozzo, P.
登録日2016-01-22
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Novel thidiazuron-derived inhibitors of cytokinin oxidase/dehydrogenase.
Plant Mol.Biol., 92, 2016
5HMR
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BU of 5hmr by Molmil
Crystal structure of maize cytokinin oxidase/dehydrogenase 4 (ZmCKO4) in complex with phenylurea inhibitor 3FMTDZ
分子名称: 1-(1,2,3-thiadiazol-5-yl)-3-[3-(trifluoromethoxy)phenyl]urea, Cytokinin dehydrogenase 4, FLAVIN-ADENINE DINUCLEOTIDE
著者Kopecny, D, Koncitikova, R, Briozzo, P.
登録日2016-01-16
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Novel thidiazuron-derived inhibitors of cytokinin oxidase/dehydrogenase.
Plant Mol.Biol., 92, 2016
3DQ0
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BU of 3dq0 by Molmil
Maize cytokinin oxidase/dehydrogenase complexed with N6-(3-methoxy-phenyl)adenine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokinin dehydrogenase 1, ...
著者Kopecny, D, Briozzo, P.
登録日2008-07-09
公開日2009-07-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Characterization and biological activity of novel purine-derived inhibitor of cytokinin oxidase/dehydrogenase and its potential use for in vivo studies
To be Published
4KPN
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BU of 4kpn by Molmil
Plant nucleoside hydrolase - PpNRh1 enzyme
分子名称: CALCIUM ION, Nucleoside N-ribohydrolase 1
著者Morera, S, Vigouroux, A, Kopecny, D.
登録日2013-05-14
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Structure and Function of Nucleoside Hydrolases from Physcomitrella patens and Maize Catalyzing the Hydrolysis of Purine, Pyrimidine, and Cytokinin Ribosides.
Plant Physiol., 163, 2013
4KPO
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BU of 4kpo by Molmil
Plant nucleoside hydrolase - ZmNRh3 enzyme
分子名称: CALCIUM ION, Nucleoside N-ribohydrolase 3
著者Morera, S, Vigouroux, A, Kopecny, D.
登録日2013-05-14
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structure and Function of Nucleoside Hydrolases from Physcomitrella patens and Maize Catalyzing the Hydrolysis of Purine, Pyrimidine, and Cytokinin Ribosides.
Plant Physiol., 163, 2013
6YAP
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BU of 6yap by Molmil
Crystal structure of ZmCKO4a in complex with inhibitor 1-(3-Chloro-5-trifluoromethoxy-phenyl)-3-[2-(2-hydroxy-ethyl)-phenyl]-urea
分子名称: 1,2-ETHANEDIOL, 1-(3-Chloro-5-trifluoromethoxy-phenyl)-3-[2-(2-hydroxy-ethyl)-phenyl]-urea, Cytokinin dehydrogenase 4, ...
著者Kopecny, D, Briozzo, P, Morera, S.
登録日2020-03-12
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Diphenylurea-derived cytokinin oxidase/dehydrogenase inhibitors for biotechnology and agriculture.
J.Exp.Bot., 72, 2021
6YAQ
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BU of 6yaq by Molmil
Crystal sttructure of ZmCKO8 in complex with inhibitor 1-(3-Chloro-5-trifluoromethoxy-phenyl)-3-[2-(2-hydroxy-ethyl)-phenyl]-urea
分子名称: 1,2-ETHANEDIOL, 1-(3-Chloro-5-trifluoromethoxy-phenyl)-3-[2-(2-hydroxy-ethyl)-phenyl]-urea, Cytokinin dehydrogenase 8, ...
著者Kopecny, D, Briozzo, P, Morera, S.
登録日2020-03-12
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Diphenylurea-derived cytokinin oxidase/dehydrogenase inhibitors for biotechnology and agriculture.
J.Exp.Bot., 72, 2021
6YAO
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BU of 6yao by Molmil
Crystal structure of ZmCKO4a in complex with inhibitor 1-[2-(2-Hydroxy-ethyl)-phenyl]-3-(3-trifluoromethoxy-phenyl)-urea
分子名称: 1,2-ETHANEDIOL, 1-[2-(2-Hydroxy-ethyl)-phenyl]-3-(3-trifluoromethoxy-phenyl)-urea, Cytokinin dehydrogenase 4, ...
著者Kopecny, D, Briozzo, P, Morera, S.
登録日2020-03-12
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Diphenylurea-derived cytokinin oxidase/dehydrogenase inhibitors for biotechnology and agriculture.
J.Exp.Bot., 72, 2021
1DM2
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BU of 1dm2 by Molmil
HUMAN CYCLIN-DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR HYMENIALDISINE
分子名称: 1,2-ETHANEDIOL, 4-(5-AMINO-4-OXO-4H-PYRAZOL-3-YL)-2-BROMO-4,5,6,7-TETRAHYDRO-3AH-PYRROLO[2,3-C]AZEPIN-8-ONE, CYCLIN-DEPENDENT KINASE 2
著者Thunnissen, A.M, Kim, S.-H.
登録日1999-12-13
公開日2000-05-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Inhibition of cyclin-dependent kinases, GSK-3beta and CK1 by hymenialdisine, a marine sponge constituent.
Chem.Biol., 7, 2000
6ZK1
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BU of 6zk1 by Molmil
Plant nucleoside hydrolase - ZmNRh2b enzyme
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Morera, S, Vigouroux, A, Kopecny, D.
登録日2020-06-29
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Plant nucleoside N-ribohydrolases: riboside binding and role in nitrogen storage mobilization.
Plant J., 2023
6ZK2
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BU of 6zk2 by Molmil
Plant nucleoside hydrolase - ZmNRh2b in complex with forodesine
分子名称: 1,2-ETHANEDIOL, 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, CALCIUM ION, ...
著者Morera, S, Vigouroux, A, Kopecny, D.
登録日2020-06-29
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Plant nucleoside N-ribohydrolases: riboside binding and role in nitrogen storage mobilization.
Plant J., 2023
6ZK3
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BU of 6zk3 by Molmil
Plant nucleoside hydrolase - ZmNRh2b in complex with ribose
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Morera, S, Vigouroux, A, Kopecny, D.
登録日2020-06-29
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Plant nucleoside N-ribohydrolases: riboside binding and role in nitrogen storage mobilization.
Plant J., 2023
6ZK4
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BU of 6zk4 by Molmil
Plant nucleoside hydrolase - ZmNRh2b with a bound adenine
分子名称: 1,2-ETHANEDIOL, ADENINE, CALCIUM ION, ...
著者Morera, S, Vigouroux, A, Kopecny, D.
登録日2020-06-29
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Plant nucleoside N-ribohydrolases: riboside binding and role in nitrogen storage mobilization.
Plant J., 2023
6ZK5
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BU of 6zk5 by Molmil
Plant nucleoside hydrolase - ZmNRh3 enzyme in complex with forodesine
分子名称: 1,2-ETHANEDIOL, 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, CALCIUM ION, ...
著者Morera, S, Vigouroux, A, Kopecny, D.
登録日2020-06-29
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Plant nucleoside N-ribohydrolases: riboside binding and role in nitrogen storage mobilization.
Plant J., 2023
2A4L
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BU of 2a4l by Molmil
Human cyclin-dependent kinase 2 in complex with roscovitine
分子名称: Homo sapiens cyclin-dependent kinase 2, R-ROSCOVITINE
著者De Azevedo Jr, W.F, Kim, S.H.
登録日2005-06-29
公開日2006-10-03
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Inhibition of cyclin-dependent kinases by purine analogues: crystal structure of human cdk2 complexed with roscovitine.
Eur.J.Biochem., 243, 1997
1CKP
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HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR PURVALANOL B
分子名称: 1,2-ETHANEDIOL, PROTEIN (CYCLIN-DEPENDENT PROTEIN KINASE 2), PURVALANOL B
著者Gray, N.S, Thunnissen, A.M.W.H, Schultz, P.G, Kim, S.H.
登録日1998-07-14
公開日1999-01-13
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Exploiting chemical libraries, structure, and genomics in the search for kinase inhibitors.
Science, 281, 1998

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