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6KU3
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BU of 6ku3 by Molmil
Crystal structure of gibberellin 2-oxidase3 (GA2ox3)in rice
分子名称: 2-OXOGLUTARIC ACID, GIBBERELLIN A4, GLYCEROL, ...
著者Takehara, S, Mikami, B, Sakuraba, S, Matsuoka, M, Ueguchi-Tanaka, M.
登録日2019-08-30
公開日2020-05-13
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A common allosteric mechanism regulates homeostatic inactivation of auxin and gibberellin.
Nat Commun, 11, 2020
6KUN
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BU of 6kun by Molmil
Crystal structure of dioxygenase for auxin oxidation (DAO) in rice
分子名称: 1H-INDOL-3-YLACETIC ACID, 2-OXOGLUTARIC ACID, 2-oxoglutarate-dependent dioxygenase DAO, ...
著者Takehara, S, Mikami, B, Sakuraba, S, Matsuoka, M, Ueguchi-Tanaka, M.
登録日2019-09-02
公開日2020-05-13
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献A common allosteric mechanism regulates homeostatic inactivation of auxin and gibberellin.
Nat Commun, 11, 2020
4RHT
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BU of 4rht by Molmil
Crystal structures of Mycobacterium tuberculosis 6-oxopurine phosphoribosyltransferase which is a potential target for drug development against this disease
分子名称: GUANOSINE-5'-MONOPHOSPHATE, Hypoxanthine-guanine phosphoribosyltransferase Hpt, MAGNESIUM ION, ...
著者Eng, W.S, Hockova, D, Spacek, P, West, N.P, Woods, K, Naesens, L.M.J, Keough, D.T, Guddat, L.W.
登録日2014-10-03
公開日2015-05-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7633 Å)
主引用文献First Crystal Structures of Mycobacterium tuberculosis 6-Oxopurine Phosphoribosyltransferase: Complexes with GMP and Pyrophosphate and with Acyclic Nucleoside Phosphonates Whose Prodrugs Have Antituberculosis Activity.
J.Med.Chem., 58, 2015
4RHY
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BU of 4rhy by Molmil
Crystal structures of Mycobacterium tuberculosis 6-oxopurine phosphoribosyltransferase which is a potential target for drug development against this disease
分子名称: Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, [2-({2-[bis(2-phosphonoethyl)amino]ethyl}[2-(6-oxo-3,6-dihydro-9H-purin-9-yl)ethyl]amino)ethyl]phosphonic acid
著者Eng, W.S, Hockova, D, Spacek, P, West, N.P, Woods, K, Naesens, L.M.J, Keough, D.T, Guddat, L.W.
登録日2014-10-03
公開日2015-05-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3196 Å)
主引用文献First Crystal Structures of Mycobacterium tuberculosis 6-Oxopurine Phosphoribosyltransferase: Complexes with GMP and Pyrophosphate and with Acyclic Nucleoside Phosphonates Whose Prodrugs Have Antituberculosis Activity.
J.Med.Chem., 58, 2015
4RHX
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BU of 4rhx by Molmil
Structures of Mycobacterium tuberculosis 6-oxopurine phosphoribosyltransferase which is a potential target for drug development against this disease
分子名称: Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, [2-([2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl]{2-[(2-oxoethyl)(2-phosphonoethyl)amino]ethyl}amino)ethyl]phosphonic acid
著者Eng, W.S, Hockova, D, Spacek, P, West, N.P, Woods, K, Naesens, L.M.J, Keough, D.T, Guddat, L.W.
登録日2014-10-03
公開日2015-05-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.0322 Å)
主引用文献First Crystal Structures of Mycobacterium tuberculosis 6-Oxopurine Phosphoribosyltransferase: Complexes with GMP and Pyrophosphate and with Acyclic Nucleoside Phosphonates Whose Prodrugs Have Antituberculosis Activity.
J.Med.Chem., 58, 2015
5EKX
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BU of 5ekx by Molmil
DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYLMETHIONINE AND FRAGMENT NB2E11
分子名称: 4-chloro-5-methylbenzene-1,2-diamine, NS5 METHYLTRANSFERASE, S-ADENOSYLMETHIONINE
著者Barral, K, Bricogne, G, Sharff, A.
登録日2015-11-04
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
6Z6P
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BU of 6z6p by Molmil
HDAC-PC-Nuc
分子名称: DNA (145-MER), HDA1 complex subunit 2, HDA1 complex subunit 3,HDA1 complex subunit 3, ...
著者Lee, J.-H, Bollschweiler, D, Schaefer, T, Huber, R.
登録日2020-05-28
公開日2021-02-17
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (4.43 Å)
主引用文献Structural basis for the regulation of nucleosome recognition and HDAC activity by histone deacetylase assemblies.
Sci Adv, 7, 2021
5EHI
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BU of 5ehi by Molmil
DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND MOLECULE BF287
分子名称: 4-[[3-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]phenyl]sulfonylamino]benzoic acid, NS5 methyltransferase dengue virus, S-ADENOSYLMETHIONINE
著者Barral, K, Bricogne, G, Sharff, A.
登録日2015-10-28
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.303 Å)
主引用文献Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
5E9Q
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BU of 5e9q by Molmil
DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND MOLECULE BF174
分子名称: 2-({[2-amino-4-(trifluoromethyl)phenyl]carbamoyl}amino)-4-methylbenzoic acid, Genome polyprotein, S-ADENOSYLMETHIONINE
著者Barral, K, Bricogne, G, Sharff, A.
登録日2015-10-15
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
5EHG
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BU of 5ehg by Molmil
DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND MOLECULE BF341
分子名称: 4-[3-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]phenyl]sulfonyloxybenzoic acid, RNA-directed RNA polymerase NS5, S-ADENOSYLMETHIONINE
著者Barral, K, Bricogne, G, Sharff, A.
登録日2015-10-28
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
5EIF
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BU of 5eif by Molmil
DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND FRAGMENT NB2C3
分子名称: 2-azanyl-4-methyl-benzoic acid, Genome polyprotein, S-ADENOSYLMETHIONINE
著者Barral, K, Bricogne, G, Sharff, A.
登録日2015-10-29
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
5ERC
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BU of 5erc by Molmil
X-ray crystal structure of BRPF1 PZP domain
分子名称: CALCIUM ION, Peregrin, ZINC ION
著者Klein, B.J, Andrews, F.H, Kutateladze, T.G.
登録日2015-11-13
公開日2015-12-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Bivalent interaction of the PZP domain of BRPF1 with the nucleosome impacts chromatin dynamics and acetylation.
Nucleic Acids Res., 44, 2016
8X7I
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BU of 8x7i by Molmil
Cryo-EM structures of RNF168/UbcH5c-Ub in complex with H2AK13Ub nucleosomes determined by intein-based E2-Ub-NCP conjugation strategy
分子名称: DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ...
著者Ai, H.S, Tong, Z.B, Deng, Z.H, Pan, M, Liu, L.
登録日2023-11-24
公開日2024-08-07
最終更新日2025-06-18
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献Capturing Snapshots of Nucleosomal H2A K13/K15 Ubiquitination Mediated by the Monomeric E3 Ligase RNF168
Biorxiv, 2024
8X7J
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BU of 8x7j by Molmil
Cryo-EM structures of RNF168/UbcH5c-Ub/nucleosomes complex determined by activity-based chemical trapping strategy
分子名称: DNA (144-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ...
著者Ai, H.S, Tong, Z.B, Deng, Z.H, Pan, M, Liu, L.
登録日2023-11-24
公開日2024-08-07
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.39 Å)
主引用文献Capturing Snapshots of Nucleosomal H2A K13/K15 Ubiquitination Mediated by the Monomeric E3 Ligase RNF168
Biorxiv, 2024
1SD1
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BU of 1sd1 by Molmil
STRUCTURE OF HUMAN 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE COMPLEXED WITH FORMYCIN A
分子名称: (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol, 5'-methylthioadenosine phosphorylase
著者Lee, J.E, Settembre, E.C, Cornell, K.A, Riscoe, M.K, Sufrin, J.R, Ealick, S.E, Howell, P.L.
登録日2004-02-12
公開日2004-05-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structural Comparison of MTA Phosphorylase and MTA/AdoHcy Nucleosidase Explains Substrate Preferences and Identifies Regions Exploitable for Inhibitor Design.
Biochemistry, 43, 2004
1SD2
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BU of 1sd2 by Molmil
STRUCTURE OF HUMAN 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE COMPLEXED WITH 5'-METHYLTHIOTUBERCIDIN
分子名称: 2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-METHYLSULFANYLMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, 5'-methylthioadenosine phosphorylase, SULFATE ION
著者Lee, J.E, Settembre, E.C, Cornell, K.A, Riscoe, M.K, Sufrin, J.R, Ealick, S.E, Howell, P.L.
登録日2004-02-12
公開日2004-05-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Comparison of MTA Phosphorylase and MTA/AdoHcy Nucleosidase Explains Substrate Preferences and Identifies Regions Exploitable for Inhibitor Design.
Biochemistry, 43, 2004
5FDL
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BU of 5fdl by Molmil
Crystal Structure of K103N/Y181C Mutant HIV-1 Reverse Transcriptase (RT) in Complex with IDX899
分子名称: P51 Reverse transcriptase, P66 Reverse transcriptase, methyl (R)-(2-carbamoyl-5-chloro-1H-indol-3-yl)[3-(2-cyanoethyl)-5-methylphenyl]phosphinate
著者Dousson, C.B, Alexandre, F.-R, Convard, T, Fisher, M, Lamers, M.B.A.C, Leonard, P.M.
登録日2015-12-16
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Discovery of the Aryl-phospho-indole IDX899, a Highly Potent Anti-HIV Non-nucleoside Reverse Transcriptase Inhibitor.
J.Med.Chem., 59, 2016
5F0W
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BU of 5f0w by Molmil
Crystal structure of human copper homeostatic proteins atox1
分子名称: Copper transport protein ATOX1, SILVER ION
著者Wei, W, Wang, F, Zhao, J.
登録日2015-11-28
公開日2017-01-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of tetrasilver bound to human copper homeostatic proteins atox1 at 1.7 Angstroms resolution
To Be Published
5F5U
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BU of 5f5u by Molmil
Crystal structure of the Snu23-Prp38-MFAP1(217-258) complex of Chaetomium thermophilum
分子名称: Prp38, Putative uncharacterized protein, Zinc finger domain-containing protein
著者Ulrich, A.K.C, Seeger, M, Bartlick, N, Wahl, M.C.
登録日2015-12-04
公開日2016-10-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.748 Å)
主引用文献Scaffolding in the Spliceosome via Single alpha Helices.
Structure, 24, 2016
2ZI9
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BU of 2zi9 by Molmil
C4S-E247A dCK variant of dCK in complex with cladribine+ADP
分子名称: 2-chloro-2'-deoxyadenosine, ADENOSINE-5'-DIPHOSPHATE, Deoxycytidine kinase
著者Sabini, E, Lavie, A.
登録日2008-02-13
公開日2008-07-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Elucidation of different binding modes of purine nucleosides to human deoxycytidine kinase
J.Med.Chem., 51, 2008
5F5V
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BU of 5f5v by Molmil
Crystal structure of the Snu23-Prp38-MFAP1(217-296) complex of Chaetomium thermophilum
分子名称: Prp38, Putative uncharacterized protein, Zinc finger domain-containing protein
著者Ulrich, A.K.C, Seeger, M, Bartlick, N, Wahl, M.C.
登録日2015-12-04
公開日2016-10-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Scaffolding in the Spliceosome via Single alpha Helices.
Structure, 24, 2016
6DZ3
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BU of 6dz3 by Molmil
Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-(((3-(1-butyl-1H-1,2,3-triazol-4-yl)propyl)thio)methyl)pyrrolidin-3-ol
分子名称: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-butyl-1H-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol, 1,2-ETHANEDIOL, ACETIC ACID, ...
著者Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2018-07-02
公開日2019-03-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Selective Inhibitors of Helicobacter pylori Methylthioadenosine Nucleosidase and Human Methylthioadenosine Phosphorylase.
J. Med. Chem., 62, 2019
6DZ0
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BU of 6dz0 by Molmil
Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-((pent-4-yn-1-ylthio)methyl)pyrrolidin-3-ol
分子名称: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(pent-4-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2018-07-02
公開日2019-03-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Selective Inhibitors of Helicobacter pylori Methylthioadenosine Nucleosidase and Human Methylthioadenosine Phosphorylase.
J. Med. Chem., 62, 2019
5F5S
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Crystal structure of the Prp38-MFAP1 complex of Homo sapiens
分子名称: Microfibrillar-associated protein 1, Pre-mRNA-splicing factor 38A
著者Ulrich, A.K.C, Wahl, M.C.
登録日2015-12-04
公開日2016-10-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Scaffolding in the Spliceosome via Single alpha Helices.
Structure, 24, 2016
4IJQ
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BU of 4ijq by Molmil
Human hypoxanthine-guanine phosphoribosyltransferase in complex with [(2-((Guanine-9H-yl)methyl)propane-1,3-diyl)bis(oxy)]bis(methylene))diphosphonic acid
分子名称: Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, SULFATE ION, ...
著者Guddat, L.W, Keough, D.T, Hockova, D.
登録日2012-12-22
公開日2013-03-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.004 Å)
主引用文献Acyclic nucleoside phosphonates containing a second phosphonate group are potent inhibitors of 6-oxopurine phosphoribosyltransferases and have antimalarial activity
J.Med.Chem., 56, 2013

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件を2025-07-16に公開中

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