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4ZPG
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BACE1 in complex with 8-benzyl-4-(cyclohexylamino)-1-(3-fluorophenyl)-7-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
分子名称: (5R,7S)-8-benzyl-4-(cyclohexylamino)-1-(3-fluorophenyl)-7-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one, Beta-secretase 1
著者Orth, P.
登録日2015-05-07
公開日2015-08-05
最終更新日2015-10-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Methyl-substitution of an iminohydantoin spiropiperidine beta-secretase (BACE-1) inhibitor has a profound effect on its potency.
Bioorg.Med.Chem.Lett., 25, 2015
2BGH
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BU of 2bgh by Molmil
Crystal structure of Vinorine Synthase
分子名称: VINORINE SYNTHASE
著者Ma, X, Koepke, J, Panjikar, S, Fritzsch, G, Stoeckigt, J.
登録日2004-12-22
公開日2005-01-24
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of Vinorine Synthase, the First Representative of the Bahd Superfamily.
J.Biol.Chem., 280, 2005
3GZJ
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BU of 3gzj by Molmil
Crystal Structure of Polyneuridine Aldehyde Esterase Complexed with 16-epi-Vellosimine
分子名称: 16-epi-Vellosimine, Polyneuridine-aldehyde esterase
著者Yang, L, Hill, M, Wang, M, Panjikar, S, Stoeckigt, J.
登録日2009-04-07
公開日2009-08-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structural basis and enzymatic mechanism of the biosynthesis of C9- from C10-monoterpenoid indole alkaloids
Angew.Chem.Int.Ed.Engl., 48, 2009
3ZJ8
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BU of 3zj8 by Molmil
Crystal structure of strictosidine glucosidase in complex with inhibitor-2
分子名称: (1R,2S,3S,4R,5R)-4-[(4-bromophenyl)methylamino]-5-(hydroxymethyl)cyclopentane-1,2,3-triol, STRICTOSIDINE-O-BETA-D-GLUCOSIDASE
著者Xia, L, Lin, H, Panjikar, S, Ruppert, M, Castiglia, A, Rajendran, C, Wang, M, Schuebel, H, Warzecha, H, Jaeger, V, Stoeckigt, J.
登録日2013-01-17
公開日2014-02-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Ligand Structures of Synthetic Deoxa-Pyranosylamines with Raucaffricine and Strictosidine Glucosidases Provide Structural Insights Into Their Binding and Inhibitory Behaviours.
J.Enzyme.Inhib.Med.Chem., 30, 2015
2WFM
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BU of 2wfm by Molmil
Crystal structure of polyneuridine aldehyde esterase mutant (H244A)
分子名称: POLYNEURIDINE ALDEHYDE ESTERASE
著者Yang, L, Hill, M, Panjikar, S, Wang, M, Stoeckigt, J.
登録日2009-04-08
公開日2010-04-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis and Enzymatic Mechanism of the Biosynthesis of C9- from C10-Monoterpenoid Indole Alkaloids.
Angew.Chem.Int.Ed.Engl., 48, 2009
2WFL
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BU of 2wfl by Molmil
Crystal structure of polyneuridine aldehyde esterase
分子名称: POLYNEURIDINE-ALDEHYDE ESTERASE, SULFATE ION
著者Yang, L, Hill, M, Panjikar, S, Wang, M, Stoeckigt, J.
登録日2009-04-08
公開日2009-08-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis and Enzymatic Mechanism of the Biosynthesis of C9- from C10-Monoterpenoid Indole Alkaloids.
Angew.Chem.Int.Ed.Engl., 48, 2009
8T7T
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BU of 8t7t by Molmil
CryoEM structure of the HisRS-like domain of human GCN2
分子名称: eIF-2-alpha kinase GCN2
著者Yin, J.Z, Keszei, A.F.A, Mazhab-Jafari, M.T, Sicheri, F.
登録日2023-06-21
公開日2024-03-13
最終更新日2024-09-25
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献The HisRS-like domain of GCN2 is a pseudoenzyme that can bind uncharged tRNA.
Structure, 32, 2024
3ZJ7
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BU of 3zj7 by Molmil
Crystal structure of strictosidine glucosidase in complex with inhibitor-1
分子名称: (1R,2S,3S,4R,5R)-4-(cyclohexylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol, STRICTOSIDINE-O-BETA-D-GLUCOSIDASE
著者Xia, L, Lin, H, Panjikar, S, Ruppert, M, Castiglia, A, Rajendran, C, Wang, M, Schuebel, H, Warzecha, H, Jaeger, V, Stoeckigt, J.
登録日2013-01-17
公開日2014-02-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Ligand Structures of Synthetic Deoxa-Pyranosylamines with Raucaffricine and Strictosidine Glucosidases Provide Structural Insights Into Their Binding and Inhibitory Behaviours.
J.Enzyme.Inhib.Med.Chem., 30, 2015
4ATD
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BU of 4atd by Molmil
Crystal structure of native Raucaffricine glucosidase
分子名称: RAUCAFFRICINE-O-BETA-D-GLUCOSIDASE, SULFATE ION
著者Xia, L, Rajendran, C, Ruppert, M, Panjikar, S, Wang, M, Stoeckigt, J.
登録日2012-05-05
公開日2013-01-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献High Speed X-Ray Analysis of Plant Enzymes at Room Temperature
Phytochemistry, 91, 2013
4ATL
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BU of 4atl by Molmil
Crystal structure of Raucaffricine glucosidase in complex with Glucose
分子名称: RAUCAFFRICINE-O-BETA-D-GLUCOSIDASE, beta-D-glucopyranose
著者Xia, L, Rajendran, C, Ruppert, M, Panjikar, S, Wang, M, Stoeckigt, J.
登録日2012-05-08
公開日2013-01-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献High Speed X-Ray Analysis of Plant Enzymes at Room Temperature
Phytochemistry, 91, 2013
4A3Y
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BU of 4a3y by Molmil
Crystal structure of Raucaffricine glucosidase from ajmaline biosynthesis pathway
分子名称: GLYCEROL, RAUCAFFRICINE-O-BETA-D-GLUCOSIDASE, SULFATE ION
著者Xia, L, Ruppert, M, Wang, M, Panjikar, S, Barleben, L, Rajendran, C, Lin, H, Stoeckigt, J.
登録日2011-10-06
公開日2012-08-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structures of Alkaloid Biosynthetic Glucosidases Decode Substrate Specificity.
Acs Chem.Biol., 7, 2012
3U57
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BU of 3u57 by Molmil
Structures of Alkaloid Biosynthetic Glucosidases Decode Substrate Specificity
分子名称: (2beta,7beta,16S,17R,19E,21beta)-21-(beta-D-glucopyranosyloxy)-2,7-dihydro-7,17-cyclosarpagan-17-yl acetate, CHLORIDE ION, Raucaffricine-O-beta-D-glucosidase
著者Xia, L, Ruppert, M, Wang, M, Panjikar, S, Lin, H, Rajendran, C, Barleben, L, Stoeckigt, J.
登録日2011-10-11
公開日2011-11-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structures of alkaloid biosynthetic glucosidases decode substrate specificity.
Acs Chem.Biol., 7, 2012
3U5Y
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BU of 3u5y by Molmil
Structures of Alkaloid Biosynthetic Glucosidases Decode Substrate Specificity
分子名称: CHLORIDE ION, Raucaffricine-O-beta-D-glucosidase, Secologanin
著者Xia, L, Ruppert, M, Wang, M, Panjikar, S, Lin, H, Rajendran, C, Barleben, L, Stoeckigt, J.
登録日2011-10-11
公開日2011-11-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of alkaloid biosynthetic glucosidases decode substrate specificity.
Acs Chem.Biol., 7, 2012
4IYG
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BU of 4iyg by Molmil
Structure of strictosidine synthase in complex with 2-(1H-INDOL-3-YL)-N-METHYLETHANAMINE
分子名称: 2-(1H-indol-3-yl)-N-methylethanamine, Strictosidine synthase
著者Stoeckigt, J, Fangrui, W, Wang, M, Rajendran, C.
登録日2013-01-28
公開日2014-01-29
最終更新日2016-08-03
実験手法X-RAY DIFFRACTION (2.702 Å)
主引用文献Using Strictosidine Synthase to Prepare Novel Alkaloids.
Curr.Med.Chem., 2015
3V0U
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BU of 3v0u by Molmil
Crystal Structure of Perakine Reductase, Founder Member of a Novel AKR Subfamily with Unique Conformational Changes during NADPH Binding
分子名称: Perakine reductase
著者Sun, L, Chen, Y, Rajendran, C, Panjikar, S, Mueller, U, Wang, M, Rosenthal, C, Mindnich, R, Penning, T.M, Stoeckigt, J.
登録日2011-12-08
公開日2012-02-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.203 Å)
主引用文献Crystal structure of perakine reductase, founding member of a novel aldo-keto reductase (AKR) subfamily that undergoes unique conformational changes during NADPH binding.
J.Biol.Chem., 287, 2012
3U5U
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BU of 3u5u by Molmil
Structures of Alkaloid Biosynthetic Glucosidases Decode Substrate Specificity
分子名称: CHLORIDE ION, Raucaffricine-O-beta-D-glucosidase
著者Xia, L, Ruppert, M, Wang, M, Panjikar, S, Lin, H, Rajendran, C, Barleben, L, Stoeckigt, J.
登録日2011-10-11
公開日2011-11-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of alkaloid biosynthetic glucosidases decode substrate specificity.
Acs Chem.Biol., 7, 2012
3V0S
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Crystal Structure of Perakine Reductase, Founder Member of a Novel AKR Subfamily with Unique Conformational Changes during NADPH Binding
分子名称: 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, Perakine reductase
著者Sun, L, Chen, Y, Rajendran, C, Panjikar, S, Mueller, U, Wang, M, Rosenthal, C, Mindnich, R, Penning, T.M, Stoeckigt, J.
登録日2011-12-08
公開日2012-02-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.773 Å)
主引用文献Crystal structure of perakine reductase, founding member of a novel aldo-keto reductase (AKR) subfamily that undergoes unique conformational changes during NADPH binding.
J.Biol.Chem., 287, 2012
3UYI
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BU of 3uyi by Molmil
Crystal Structure of Perakine Reductase, Founder Member of a Novel AKR Subfamily with Unique Conformational Changes during NADPH Binding
分子名称: Perakine reductase
著者Sun, L, Chen, Y, Rajendran, C, Panjikar, S, Mueller, U, Wang, M, Rosenthal, C, Mindnich, R, Penning, T.M, Stoeckigt, J.
登録日2011-12-06
公開日2012-02-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.313 Å)
主引用文献Crystal structure of perakine reductase, founding member of a novel aldo-keto reductase (AKR) subfamily that undergoes unique conformational changes during NADPH binding.
J.Biol.Chem., 287, 2012
3V0T
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Crystal Structure of Perakine Reductase, Founder Member of a Novel AKR Subfamily with Unique Conformational Changes during NADPH Binding
分子名称: 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, Perakine Reductase
著者Sun, L, Chen, Y, Rajendran, C, Panjikar, S, Mueller, U, Wang, M, Rosenthal, C, Mindnich, R, Penning, T.M, Stoeckigt, J.
登録日2011-12-08
公開日2012-02-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.333 Å)
主引用文献Crystal structure of perakine reductase, founding member of a novel aldo-keto reductase (AKR) subfamily that undergoes unique conformational changes during NADPH binding.
J.Biol.Chem., 287, 2012
3V1S
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BU of 3v1s by Molmil
Scaffold tailoring by a newly detected Pictet-Spenglerase ac-tivity of strictosidine synthase (STR1): from the common tryp-toline skeleton to the rare piperazino-indole framework
分子名称: 2-(1H-indol-1-yl)ethanamine, Strictosidine synthase
著者Wu, F, Zhu, H, Sun, L, Rajendran, C, Wang, M, Ren, X, Panjikar, S, Cherkasov, A, Zou, H, Stoeckigt, J.
登録日2011-12-10
公開日2012-02-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.328 Å)
主引用文献Scaffold Tailoring by a Newly Detected Pictet-Spenglerase Activity of Strictosidine Synthase: From the Common Tryptoline Skeleton to the Rare Piperazino-indole Framework
J.Am.Chem.Soc., 134, 2012
4IMB
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BU of 4imb by Molmil
Structure of strictosidine synthase in complex with 2-(1-methyl-1H-indol-3-yl)ethanamine
分子名称: 2-(1-methyl-1H-indol-3-yl)ethanamine, Strictosidine synthase
著者Stoeckigt, J, Fangrui, W, Wang, M, Rajendran, C.
登録日2013-01-02
公開日2014-01-29
最終更新日2016-08-03
実験手法X-RAY DIFFRACTION (2.703 Å)
主引用文献Using Strictosidine Synthase to Prepare Novel Alkaloids.
Curr.Med.Chem., 2015
8S86
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BU of 8s86 by Molmil
human PLD3 homodimer structure
分子名称: 5'-3' exonuclease PLD3
著者Lammens, K.
登録日2024-03-05
公開日2024-05-15
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Lysosomal endonuclease RNase T2 and PLD exonucleases cooperatively generate RNA ligands for TLR7 activation.
Immunity, 57, 2024
7LUO
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BU of 7luo by Molmil
N-terminus of Skp2 bound to Cyclin A
分子名称: S-phase kinase-associated protein 2,Cyclin-A2, Skp2 Motif 1 uncharacterized fragment 1, Skp2 Motif 1 uncharacterized fragment 2
著者Kelso, S, Ceccarelli, D.F, Sicheri, F.
登録日2021-02-22
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献Bipartite binding of the N terminus of Skp2 to cyclin A.
Structure, 29, 2021
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