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7RUT
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BU of 7rut by Molmil
Structure of Human ATP:Cobalamin Adenosyltransferase R190C bound to ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Corrinoid adenosyltransferase, GLYCEROL, ...
著者Mascarenhas, R, Gouda, H, Koutmos, M, Banerjee, R.
登録日2021-08-18
公開日2021-11-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Patient mutations in human ATP:cob(I)alamin adenosyltransferase differentially affect its catalytic versus chaperone functions.
J.Biol.Chem., 297, 2021
7RUV
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BU of 7ruv by Molmil
Structure of Human ATP:Cobalamin Adenosyltransferase E193K bound to adenosylcobalamin
分子名称: 5'-DEOXYADENOSINE, COBALAMIN, Corrinoid adenosyltransferase, ...
著者Mascarenhas, R, Gouda, H, Koutmos, M, Banerjee, R.
登録日2021-08-18
公開日2021-11-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Patient mutations in human ATP:cob(I)alamin adenosyltransferase differentially affect its catalytic versus chaperone functions.
J.Biol.Chem., 297, 2021
7SEA
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BU of 7sea by Molmil
Crystal structure of human Fibrillarin in complex with compound 2 from cocktail soak
分子名称: 6-(trifluoromethyl)pyrimidin-4-amine, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
登録日2021-09-30
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
7SE7
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BU of 7se7 by Molmil
Crystal structure of human Fibrillarin in complex with S-adenosyl-L-methionine
分子名称: S-ADENOSYLMETHIONINE, rRNA 2'-O-methyltransferase fibrillarin
著者Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
登録日2021-09-30
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
7SED
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BU of 7sed by Molmil
Crystal structure of human Fibrillarin in complex with compound 2a
分子名称: FORMIC ACID, N-(piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine, rRNA 2'-O-methyltransferase fibrillarin
著者Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
登録日2021-09-30
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
7SEC
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BU of 7sec by Molmil
Crystal structure of human Fibrillarin in complex with compound 1a
分子名称: 2-[(8S)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
登録日2021-09-30
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
7SE6
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BU of 7se6 by Molmil
Crystal structure of human Fibrillarin in ligand-free state
分子名称: FORMIC ACID, rRNA 2'-O-methyltransferase fibrillarin
著者Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
登録日2021-09-30
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
7SEB
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BU of 7seb by Molmil
Crystal structure of human Fibrillarin in complex with compound 2 from single soak
分子名称: 6-(trifluoromethyl)pyrimidin-4-amine, FORMIC ACID, rRNA 2'-O-methyltransferase fibrillarin
著者Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
登録日2021-09-30
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
7SE8
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BU of 7se8 by Molmil
Crystal structure of human Fibrillarin in complex with fragment 1 from cocktail soak
分子名称: (5S)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
登録日2021-09-30
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
7SE9
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BU of 7se9 by Molmil
Crystal structure of human Fibrillarin in complex with compound 1 from single soak
分子名称: (5S)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
登録日2021-09-30
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
7SLQ
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BU of 7slq by Molmil
Cryo-EM structure of 7SK core RNP with circular RNA
分子名称: 7SK snRNA methylphosphate capping enzyme, La-related protein 7, Minimal circular 7SK RNA, ...
著者Yang, Y, Liu, S, Zhou, Z.H, Feigon, J.
登録日2021-10-24
公開日2022-03-30
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural basis of RNA conformational switching in the transcriptional regulator 7SK RNP.
Mol.Cell, 82, 2022
7SLP
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BU of 7slp by Molmil
Cryo-EM structure of 7SK core RNP with linear RNA
分子名称: 7SK snRNA methylphosphate capping enzyme, La-related protein 7, Linear 7SK RNA, ...
著者Yang, Y, Liu, S, Zhou, Z.H, Feigon, J.
登録日2021-10-24
公開日2022-03-30
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structural basis of RNA conformational switching in the transcriptional regulator 7SK RNP.
Mol.Cell, 82, 2022
7SCX
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BU of 7scx by Molmil
KRAS full-length G12V in complex with RGL1 Ras association domain
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION, ...
著者Eves, B.J, Kuntz, D.A, Ikura, M, Marshall, C.B.
登録日2021-09-29
公開日2022-05-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structures of RGL1 RAS-Association Domain in Complex with KRAS and the Oncogenic G12V Mutant.
J.Mol.Biol., 434, 2022
7S7J
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BU of 7s7j by Molmil
Structure of Human SPASTIN-IST1 complex.
分子名称: CALCIUM ION, CHLORIDE ION, IST1 homolog, ...
著者Skalicky, J.J, Sundquist, W.I.
登録日2021-09-16
公開日2022-09-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Comprehensive analysis of the human ESCRT-III-MIT domain interactome reveals new cofactors for cytokinetic abscission.
Elife, 11, 2022
4YEG
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BU of 4yeg by Molmil
Characterisation of Polyphosphate Kinase 2 from the Intracellular Pathogen Francisella tularensis
分子名称: Polyphosphate kinase 2
著者Parnell, A.E, Roach, P.L.
登録日2015-02-24
公開日2015-12-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Biochemical and structural characterization of polyphosphate kinase 2 from the intracellular pathogen Francisella tularensis.
Biosci.Rep., 36, 2016
4X8M
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BU of 4x8m by Molmil
Crystal structure of E. coli Adenylate kinase Y171W mutant
分子名称: Adenylate kinase
著者Sauer-Eriksson, A.E, Kovermann, M, Aden, J, Grundstrom, C, Wolf-Watz, M, Sauer, U.H.
登録日2014-12-10
公開日2015-07-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for catalytically restrictive dynamics of a high-energy enzyme state.
Nat Commun, 6, 2015
4X8O
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BU of 4x8o by Molmil
Crystal structure of E. coli Adenylate kinase Y171W mutant in complex with inhibitor Ap5a
分子名称: Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ...
著者Sauer-Eriksson, A.E, Kovermann, M, Aden, J, Grundstrom, C, Wolf-Watz, M, Sauer, U.H.
登録日2014-12-10
公開日2015-07-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for catalytically restrictive dynamics of a high-energy enzyme state.
Nat Commun, 6, 2015
5F8A
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BU of 5f8a by Molmil
Crystal structure of the ternary EcoRV-DNA-Lu complex with uncleaved DNA substrate. Lanthanide binding to EcoRV-DNA complex inhibits cleavage.
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*AP*AP*AP*GP*AP*TP*AP*TP*CP*TP*TP*T)-3'), LUTETIUM (III) ION, ...
著者Sangani, S.S, Kehr, A.D, Sinha, K, Rule, G.S, Jen-Jacobson, L.
登録日2015-12-09
公開日2016-11-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Metal Ion Binding at the Catalytic Site Induces Widely Distributed Changes in a Sequence Specific Protein-DNA Complex.
Biochemistry, 55, 2016
4X5X
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BU of 4x5x by Molmil
HLA-DR1 mutant bN82A with covalently linked CLIP106-120(M107W)
分子名称: HLA class II histocompatibility antigen, DR alpha chain, DRB1-1 beta chain
著者Guenther, S, Freund, C.
登録日2014-12-06
公開日2016-03-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.199 Å)
主引用文献MHC class II complexes sample intermediate states along the peptide exchange pathway.
Nat Commun, 7, 2016
4X8L
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BU of 4x8l by Molmil
Crystal structure of E. coli Adenylate kinase P177A mutant in complex with inhibitor Ap5a
分子名称: Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ...
著者Sauer-Eriksson, A.E, Kovermann, M, Aden, J, Grundstrom, C, Wolf-Watz, M, Sauer, U.H.
登録日2014-12-10
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for catalytically restrictive dynamics of a high-energy enzyme state.
Nat Commun, 6, 2015
4X8H
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BU of 4x8h by Molmil
Crystal structure of E. coli Adenylate kinase P177A mutant
分子名称: Adenylate kinase
著者Sauer-Eriksson, A.E, Kovermann, M, Aden, J, Grundstrom, C, Wolf-Watz, M, Sauer, U.H.
登録日2014-12-10
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for catalytically restrictive dynamics of a high-energy enzyme state.
Nat Commun, 6, 2015
5EKI
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BU of 5eki by Molmil
Crystal Structure of Truncated CCL21
分子名称: C-C motif chemokine 21, SULFATE ION
著者Lewandowski, E.M, Smith, E.W, Chen, Y.
登録日2015-11-03
公開日2016-10-05
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic Structure of Truncated CCL21 and the Putative Sulfotyrosine-Binding Site.
Biochemistry, 55, 2016
4YN6
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BU of 4yn6 by Molmil
Structural Insight reveals dynamics in repeating r(CAG) transcript found in Huntington's disease (HD) and Spinocerebellar ataxias (SCAs)
分子名称: PHOSPHATE ION, RNA (5'-R(P*UP*UP*GP*GP*GP*CP*CP*AP*GP*CP*AP*GP*CP*AP*GP*GP*UP*CP*C)-3')
著者Tawani, A, Kumar, A.
登録日2015-03-09
公開日2015-04-22
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Structural Insights Reveal the Dynamics of the Repeating r(CAG) Transcript Found in Huntington's Disease (HD) and Spinocerebellar Ataxias (SCAs)
Plos One, 10, 2015
4Z22
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BU of 4z22 by Molmil
structure of plasmepsin II from Plasmodium Falciparum complexed with inhibitor DR718A
分子名称: 2-amino-7-phenyl-3-{[(2R,5S)-5-phenyltetrahydrofuran-2-yl]methyl}quinazolin-4(3H)-one, Plasmepsin-2
著者Recacha, R, Leitans, J, Tars, K, Jaudzems, K.
登録日2015-03-28
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Fragment-Based Discovery of 2-Aminoquinazolin-4(3H)-ones As Novel Class Nonpeptidomimetic Inhibitors of the Plasmepsins I, II, and IV.
J.Med.Chem., 59, 2016
4ZBF
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BU of 4zbf by Molmil
Mcl-1 complexed with small molecules
分子名称: (1R)-7-[3-(naphthalen-1-yloxy)propyl]-3,4-dihydro-2H-[1,4]thiazepino[2,3,4-hi]indole-6-carboxylic acid 1-oxide, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Zhao, B.
登録日2015-04-14
公開日2015-04-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of tricyclic indoles that potently inhibit mcl-1 using fragment-based methods and structure-based design.
J.Med.Chem., 58, 2015

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件を2024-07-17に公開中

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