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1ULB
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APPLICATION OF CRYSTALLOGRAPHIC AND MODELING METHODS IN THE DESIGN OF PURINE NUCLEOSIDE PHOSPHORYLASE INHIBITORS
分子名称: GUANINE, PURINE NUCLEOSIDE PHOSPHORYLASE, SULFATE ION
著者Ealick, S.E, Rule, S.A, Carter, D.C, Greenhough, T.J, Babu, Y.S, Cook, W.J, Habash, J, Helliwell, J.R, Stoeckler, J.D, Parksjunior, R.E, Chen, S.-F, Bugg, C.E.
登録日1991-11-05
公開日1993-01-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Application of crystallographic and modeling methods in the design of purine nucleoside phosphorylase inhibitors.
Proc.Natl.Acad.Sci.USA, 88, 1991
1VFN
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PURINE NUCLEOSIDE PHOSPHORYLASE
分子名称: HYPOXANTHINE, MAGNESIUM ION, PURINE-NUCLEOSIDE PHOSPHORYLASE, ...
著者Koellner, G, Bzowska, A.
登録日1996-10-08
公開日1997-11-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of calf spleen purine nucleoside phosphorylase in a complex with hypoxanthine at 2.15 A resolution.
J.Mol.Biol., 265, 1997
1OT3
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Crystal structure of Drosophila deoxyribonucleotide kinase complexed with the substrate deoxythymidine
分子名称: Deoxyribonucleoside Kinase, SULFATE ION, THYMIDINE
著者Mikkelsen, N.E, Johansson, K, Karlsson, A, Knecht, W, Andersen, G, Piskur, J, Munch-Petersen, B, Eklund, H.
登録日2003-03-21
公開日2003-05-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Basis for Feedback Inhibition of the Deoxyribonucleoside Salvage Pathway: Studies of the Drosophila Deoxyribonucleoside Kinase.
Biochemistry, 42, 2003
1Y6Q
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BU of 1y6q by Molmil
Cyrstal structure of MTA/AdoHcy nucleosidase complexed with MT-DADMe-ImmA
分子名称: (3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL, CHLORIDE ION, MTA/SAH nucleosidase
著者Lee, J.E, Singh, V, Evans, G.B, Tyler, P.C, Furneaux, R.H, Cornell, K.A, Riscoe, M.K, Schramm, V.L, Howell, P.L.
登録日2004-12-06
公開日2005-03-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural rationale for the affinity of pico- and femtomolar transition state analogues of Escherichia coli 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase.
J.Biol.Chem., 280, 2005
1Y6R
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Crystal structure of MTA/AdoHcy nucleosidase complexed with MT-ImmA.
分子名称: (3S,4R)-2-(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-5-[(METHYLSULFANYL)METHYL]PYRROLIDINE-3,4-DIOL, MTA/SAH nucleosidase
著者Lee, J.E, Singh, V, Evans, G.B, Tyler, P.C, Furneaux, R.H, Cornell, K.A, Riscoe, M.K, Schramm, V.L, Howell, P.L.
登録日2004-12-06
公開日2005-03-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural rationale for the affinity of pico- and femtomolar transition state analogues of Escherichia coli 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase.
J.Biol.Chem., 280, 2005
2Q7O
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Structure of human purine nucleoside phosphorylase in complex with L-Immucillin-H
分子名称: 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, PHOSPHATE ION, Purine nucleoside phosphorylase
著者Rinaldo-Matthis, A, Almo, S.C, Schramm, V.L.
登録日2007-06-07
公開日2008-01-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献L-Enantiomers of transition state analogue inhibitors bound to human purine nucleoside phosphorylase.
J.Am.Chem.Soc., 130, 2008
5ZNI
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Plasmodium falciparum purine nucleoside phosphorylase in complex with mefloquine
分子名称: Mefloquine, PHOSPHATE ION, Purine nucleoside phosphorylase
著者Chen, D, Nordlund, P, Dziekan, J.M.
登録日2018-04-09
公開日2019-01-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identifying purine nucleoside phosphorylase as the target of quinine using cellular thermal shift assay.
Sci Transl Med, 11, 2019
6AQU
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Crystal Structure of Plasmodium falciparum purine nucleoside phosphorylase: The M183L mutant
分子名称: PHOSPHATE ION, Purine nucleoside phosphorylase
著者Harijan, R.K, Ducati, R.G, Namanja-Magliano, H.A, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2017-08-21
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Genetic resistance to purine nucleoside phosphorylase inhibition inPlasmodium falciparum.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6AQS
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BU of 6aqs by Molmil
Crystal structure of Plasmodium falciparum purine nucleoside phosphorylase (V181D) mutant complexed with DADMe-ImmG and phosphate
分子名称: 1,2-ETHANEDIOL, 2-amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, PHOSPHATE ION, ...
著者Harijan, R.K, Ducati, R.G, Namanja-Magliano, H.A, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2017-08-21
公開日2018-02-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Genetic resistance to purine nucleoside phosphorylase inhibition in
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5ZNC
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Plasmodium falciparum purine nucleoside phosphorylase in complex with quinine
分子名称: PHOSPHATE ION, Purine nucleoside phosphorylase, Quinine
著者Chen, D, Nordlund, P.
登録日2018-04-08
公開日2019-01-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Identifying purine nucleoside phosphorylase as the target of quinine using cellular thermal shift assay.
Sci Transl Med, 11, 2019
1NC3
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Crystal structure of E. coli MTA/AdoHcy nucleosidase complexed with formycin A (FMA)
分子名称: (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol, MTA/SAH nucleosidase
著者Lee, J.E, Cornell, K.A, Riscoe, M.K, Howell, P.L.
登録日2002-12-04
公開日2003-03-25
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of Escherichia coli 5'-methylthioadenosine/ S-adenosylhomocysteine nucleosidase inhibitor complexes provide insight into the conformational changes required for substrate binding and catalysis.
J.Biol.Chem., 278, 2003
6T79
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Structure of a human nucleosome at 3.2 A resolution
分子名称: DNA (147-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ...
著者Dodonova, S.O, Zhu, F, Dienemann, C, Taipale, J, Cramer, P.
登録日2019-10-21
公開日2020-04-29
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Nucleosome-bound SOX2 and SOX11 structures elucidate pioneer factor function.
Nature, 580, 2020
6T7D
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BU of 6t7d by Molmil
Structure of human Sox11 transcription factor in complex with a nucleosome
分子名称: DNA (151-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ...
著者Dodonova, S.O, Zhu, F, Dienemann, C, Taipale, J, Cramer, P.
登録日2019-10-21
公開日2020-04-29
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Nucleosome-bound SOX2 and SOX11 structures elucidate pioneer factor function.
Nature, 580, 2020
1NC1
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BU of 1nc1 by Molmil
Crystal structure of E. coli MTA/AdoHcy nucleosidase complexed with 5'-methylthiotubercidin (MTH)
分子名称: 2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-METHYLSULFANYLMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, MTA/SAH nucleosidase
著者Lee, J.E, Cornell, K.A, Riscoe, M.K, Howell, P.L.
登録日2002-12-04
公開日2003-11-25
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of Escherichia coli 5'-methylthioadenosine/ S-adenosylhomocysteine nucleosidase inhibitor complexes provide insight into the conformational changes required for substrate binding and catalysis.
J.Biol.Chem., 278, 2003
6T7C
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Structure of two copies of human Sox11 transcription factor in complex with a nucleosome
分子名称: DNA (147-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ...
著者Dodonova, S.O, Zhu, F, Dienemann, C, Taipale, J, Cramer, P.
登録日2019-10-21
公開日2020-04-29
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Nucleosome-bound SOX2 and SOX11 structures elucidate pioneer factor function.
Nature, 580, 2020
6T7B
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BU of 6t7b by Molmil
Structure of human Sox2 transcription factor in complex with a nucleosome
分子名称: DNA (147-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ...
著者Dodonova, S.O, Zhu, F, Dienemann, C, Taipale, J, Cramer, P.
登録日2019-10-21
公開日2020-04-29
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (5.1 Å)
主引用文献Nucleosome-bound SOX2 and SOX11 structures elucidate pioneer factor function.
Nature, 580, 2020
6T7A
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BU of 6t7a by Molmil
Structure of human Sox11 transcription factor in complex with a nucleosome
分子名称: DNA (147-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ...
著者Dodonova, S.O, Zhu, F, Dienemann, C, Taipale, J, Cramer, P.
登録日2019-10-21
公開日2020-04-29
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Nucleosome-bound SOX2 and SOX11 structures elucidate pioneer factor function.
Nature, 580, 2020
4F2P
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Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with diEtglycol-thio-DADMe-Immucillin-A
分子名称: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[2-(2-hydroxyethoxy)ethyl]sulfanyl}methyl)pyrrolidin-3- ol, 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ...
著者Haapalainen, A.M, Thomas, K, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2012-05-08
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with diEtglycol-thio-DADMe-Immucillin-A
Structure, 21, 2013
4F1W
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Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with Adenine
分子名称: 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ADENINE, ...
著者Haapalainen, A.M, Thomas, K, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2012-05-07
公開日2013-05-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with Adenine
Structure, 21, 2013
4F2W
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Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with methyl-thio-DADMe-Immucillin-A
分子名称: (3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL, 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ...
著者Haapalainen, A.M, Thomas, K, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2012-05-08
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with methyl-thio-DADMe-Immucillin-A
Structure, 21, 2013
4F3K
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Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with homocysteine-DADMe-Immucillin-A
分子名称: 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, {(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-hydroxypyrrolidin-3-yl}-L-methionine
著者Haapalainen, A.M, Thomas, K, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2012-05-09
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with homocysteine-DADMe-Immucillin-A
Structure, 21, 2013
3V81
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Crystal structure of HIV-1 reverse transcriptase (RT) with DNA and the nonnucleoside inhibitor nevirapine
分子名称: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(ATM))-3'), DNA (5'-D(*AP*TP*GP*GP*AP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), ...
著者Das, K, Martinez, S.E, Arnold, E.
登録日2011-12-22
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8503 Å)
主引用文献HIV-1 reverse transcriptase complex with DNA and nevirapine reveals non-nucleoside inhibition mechanism.
Nat.Struct.Mol.Biol., 19, 2012
4F3C
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Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with butyl-thio-DADMe-Immucillin-A
分子名称: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol, 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
著者Haapalainen, A.M, Thomas, K, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2012-05-09
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with butyl-thio-DADMe-Immucillin-A
Structure, 21, 2013
6AYR
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Crystal structure of Campylobacter jejuni 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with butylthio-DADMe-Immucillin-A
分子名称: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol, 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
著者Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2017-09-08
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Transition-State Analogues of Campylobacter jejuni 5'-Methylthioadenosine Nucleosidase.
ACS Chem. Biol., 13, 2018
3B9X
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Crystal structure of the E. coli pyrimidine nucleoside hydrolase YeiK in complex with inosine
分子名称: CALCIUM ION, INOSINE, Pyrimidine-specific ribonucleoside hydrolase rihB, ...
著者Iovane, E, Degano, M.
登録日2007-11-07
公開日2008-04-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for substrate specificity in group I nucleoside hydrolases
Biochemistry, 47, 2008

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