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4ZPG
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BU of 4zpg by Molmil
BACE1 in complex with 8-benzyl-4-(cyclohexylamino)-1-(3-fluorophenyl)-7-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
Descriptor: (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
Authors:Orth, P.
Deposit date:2015-05-07
Release date:2015-08-05
Last modified:2015-10-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Methyl-substitution of an iminohydantoin spiropiperidine beta-secretase (BACE-1) inhibitor has a profound effect on its potency.
Bioorg.Med.Chem.Lett., 25, 2015
4ZPF
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BU of 4zpf by Molmil
BACE1 in complex with 8-(3-((1-aminopropan-2-yl)oxy)benzyl)-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
Descriptor: 8-(3-{[(2S)-1-aminopropan-2-yl]oxy}benzyl)-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one, Beta-secretase 1
Authors:Orth, P.
Deposit date:2015-05-07
Release date:2015-08-05
Last modified:2015-10-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Methyl-substitution of an iminohydantoin spiropiperidine beta-secretase (BACE-1) inhibitor has a profound effect on its potency.
Bioorg.Med.Chem.Lett., 25, 2015
3ZJ7
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BU of 3zj7 by Molmil
Crystal structure of strictosidine glucosidase in complex with inhibitor-1
Descriptor: (1R,2S,3S,4R,5R)-4-(cyclohexylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol, STRICTOSIDINE-O-BETA-D-GLUCOSIDASE
Authors:Xia, L, Lin, H, Panjikar, S, Ruppert, M, Castiglia, A, Rajendran, C, Wang, M, Schuebel, H, Warzecha, H, Jaeger, V, Stoeckigt, J.
Deposit date:2013-01-17
Release date:2014-02-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
3ZJ8
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BU of 3zj8 by Molmil
Crystal structure of strictosidine glucosidase in complex with inhibitor-2
Descriptor: (1R,2S,3S,4R,5R)-4-[(4-bromophenyl)methylamino]-5-(hydroxymethyl)cyclopentane-1,2,3-triol, STRICTOSIDINE-O-BETA-D-GLUCOSIDASE
Authors:Xia, L, Lin, H, Panjikar, S, Ruppert, M, Castiglia, A, Rajendran, C, Wang, M, Schuebel, H, Warzecha, H, Jaeger, V, Stoeckigt, J.
Deposit date:2013-01-17
Release date:2014-02-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.01 Å)
Cite: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
3GZJ
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BU of 3gzj by Molmil
Crystal Structure of Polyneuridine Aldehyde Esterase Complexed with 16-epi-Vellosimine
Descriptor: 16-epi-Vellosimine, Polyneuridine-aldehyde esterase
Authors:Yang, L, Hill, M, Wang, M, Panjikar, S, Stoeckigt, J.
Deposit date:2009-04-07
Release date:2009-08-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural basis and enzymatic mechanism of the biosynthesis of C9- from C10-monoterpenoid indole alkaloids
Angew.Chem.Int.Ed.Engl., 48, 2009
2FPB
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BU of 2fpb by Molmil
Structure of Strictosidine Synthase, the Biosynthetic Entry to the Monoterpenoid Indole Alkaloid Family
Descriptor: 2-(1H-INDOL-3-YL)ETHANAMINE, Strictosidine Synthase
Authors:Panjikar, S.
Deposit date:2006-01-16
Release date:2006-05-23
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structure of Rauvolfia serpentina strictosidine synthase is a novel six-bladed beta-propeller fold in plant proteins
Plant Cell, 18, 2006
2FP8
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BU of 2fp8 by Molmil
Structure of Strictosidine Synthase, the Biosynthetic Entry to the Monoterpenoid Indole Alkaloid Family
Descriptor: Strictosidine synthase
Authors:Panjikar, S.
Deposit date:2006-01-16
Release date:2006-05-23
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The structure of Rauvolfia serpentina strictosidine synthase is a novel six-bladed beta-propeller fold in plant proteins
Plant Cell, 18, 2006
4ATD
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BU of 4atd by Molmil
Crystal structure of native Raucaffricine glucosidase
Descriptor: RAUCAFFRICINE-O-BETA-D-GLUCOSIDASE, SULFATE ION
Authors:Xia, L, Rajendran, C, Ruppert, M, Panjikar, S, Wang, M, Stoeckigt, J.
Deposit date:2012-05-05
Release date:2013-01-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: RAUCAFFRICINE-O-BETA-D-GLUCOSIDASE, beta-D-glucopyranose
Authors:Xia, L, Rajendran, C, Ruppert, M, Panjikar, S, Wang, M, Stoeckigt, J.
Deposit date:2012-05-08
Release date:2013-01-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:High Speed X-Ray Analysis of Plant Enzymes at Room Temperature
Phytochemistry, 91, 2013
2WFL
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BU of 2wfl by Molmil
Crystal structure of polyneuridine aldehyde esterase
Descriptor: POLYNEURIDINE-ALDEHYDE ESTERASE, SULFATE ION
Authors:Yang, L, Hill, M, Panjikar, S, Wang, M, Stoeckigt, J.
Deposit date:2009-04-08
Release date:2009-08-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis and Enzymatic Mechanism of the Biosynthesis of C9- from C10-Monoterpenoid Indole Alkaloids.
Angew.Chem.Int.Ed.Engl., 48, 2009
2WFM
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BU of 2wfm by Molmil
Crystal structure of polyneuridine aldehyde esterase mutant (H244A)
Descriptor: POLYNEURIDINE ALDEHYDE ESTERASE
Authors:Yang, L, Hill, M, Panjikar, S, Wang, M, Stoeckigt, J.
Deposit date:2009-04-08
Release date:2010-04-21
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis and Enzymatic Mechanism of the Biosynthesis of C9- from C10-Monoterpenoid Indole Alkaloids.
Angew.Chem.Int.Ed.Engl., 48, 2009
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
Descriptor: 2-(1H-indol-1-yl)ethanamine, Strictosidine synthase
Authors:Wu, F, Zhu, H, Sun, L, Rajendran, C, Wang, M, Ren, X, Panjikar, S, Cherkasov, A, Zou, H, Stoeckigt, J.
Deposit date:2011-12-10
Release date:2012-02-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.328 Å)
Cite: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
Descriptor: 2-(1-methyl-1H-indol-3-yl)ethanamine, Strictosidine synthase
Authors:Stoeckigt, J, Fangrui, W, Wang, M, Rajendran, C.
Deposit date:2013-01-02
Release date:2014-01-29
Last modified:2016-08-03
Method:X-RAY DIFFRACTION (2.703 Å)
Cite:Using Strictosidine Synthase to Prepare Novel Alkaloids.
Curr.Med.Chem., 2015
4IYG
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BU of 4iyg by Molmil
Structure of strictosidine synthase in complex with 2-(1H-INDOL-3-YL)-N-METHYLETHANAMINE
Descriptor: 2-(1H-indol-3-yl)-N-methylethanamine, Strictosidine synthase
Authors:Stoeckigt, J, Fangrui, W, Wang, M, Rajendran, C.
Deposit date:2013-01-28
Release date:2014-01-29
Last modified:2016-08-03
Method:X-RAY DIFFRACTION (2.702 Å)
Cite:Using Strictosidine Synthase to Prepare Novel Alkaloids.
Curr.Med.Chem., 2015
4A3Y
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BU of 4a3y by Molmil
Crystal structure of Raucaffricine glucosidase from ajmaline biosynthesis pathway
Descriptor: GLYCEROL, RAUCAFFRICINE-O-BETA-D-GLUCOSIDASE, SULFATE ION
Authors:Xia, L, Ruppert, M, Wang, M, Panjikar, S, Barleben, L, Rajendran, C, Lin, H, Stoeckigt, J.
Deposit date:2011-10-06
Release date:2012-08-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structures of Alkaloid Biosynthetic Glucosidases Decode Substrate Specificity.
Acs Chem.Biol., 7, 2012
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
Descriptor: Perakine reductase
Authors:Sun, L, Chen, Y, Rajendran, C, Panjikar, S, Mueller, U, Wang, M, Rosenthal, C, Mindnich, R, Penning, T.M, Stoeckigt, J.
Deposit date:2011-12-08
Release date:2012-02-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.203 Å)
Cite: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
3V0S
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BU of 3v0s by Molmil
Crystal Structure of Perakine Reductase, Founder Member of a Novel AKR Subfamily with Unique Conformational Changes during NADPH Binding
Descriptor: 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, Perakine reductase
Authors:Sun, L, Chen, Y, Rajendran, C, Panjikar, S, Mueller, U, Wang, M, Rosenthal, C, Mindnich, R, Penning, T.M, Stoeckigt, J.
Deposit date:2011-12-08
Release date:2012-02-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.773 Å)
Cite: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
Descriptor: Perakine reductase
Authors:Sun, L, Chen, Y, Rajendran, C, Panjikar, S, Mueller, U, Wang, M, Rosenthal, C, Mindnich, R, Penning, T.M, Stoeckigt, J.
Deposit date:2011-12-06
Release date:2012-02-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.313 Å)
Cite: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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BU of 3v0t by Molmil
Crystal Structure of Perakine Reductase, Founder Member of a Novel AKR Subfamily with Unique Conformational Changes during NADPH Binding
Descriptor: 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, Perakine Reductase
Authors:Sun, L, Chen, Y, Rajendran, C, Panjikar, S, Mueller, U, Wang, M, Rosenthal, C, Mindnich, R, Penning, T.M, Stoeckigt, J.
Deposit date:2011-12-08
Release date:2012-02-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.333 Å)
Cite: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
Descriptor: CHLORIDE ION, Raucaffricine-O-beta-D-glucosidase
Authors:Xia, L, Ruppert, M, Wang, M, Panjikar, S, Lin, H, Rajendran, C, Barleben, L, Stoeckigt, J.
Deposit date:2011-10-11
Release date:2011-11-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of alkaloid biosynthetic glucosidases decode substrate specificity.
Acs Chem.Biol., 7, 2012
8S86
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BU of 8s86 by Molmil
human PLD3 homodimer structure
Descriptor: 5'-3' exonuclease PLD3
Authors:Lammens, K.
Deposit date:2024-03-05
Release date:2024-05-15
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite: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
Descriptor: S-phase kinase-associated protein 2,Cyclin-A2, Skp2 Motif 1 uncharacterized fragment 1, Skp2 Motif 1 uncharacterized fragment 2
Authors:Kelso, S, Ceccarelli, D.F, Sicheri, F.
Deposit date:2021-02-22
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:Bipartite binding of the N terminus of Skp2 to cyclin A.
Structure, 29, 2021
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