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4ELB
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BU of 4elb by Molmil
Structure-activity relationship guides enantiomeric preference among potent inhibitors of B. anthracis dihydrofolate reductase
Descriptor: (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1R)-1-phenylphthalazin-2(1H)-yl]prop-2-en-1-one, (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-phenylphthalazin-2(1H)-yl]prop-2-en-1-one, CALCIUM ION, ...
Authors:Bourne, C.R, Barrow, W.W.
Deposit date:2012-04-10
Release date:2013-02-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-activity relationship for enantiomers of potent inhibitors of B. anthracis dihydrofolate reductase.
Biochim.Biophys.Acta, 1834, 2013
5OR6
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BU of 5or6 by Molmil
Crystal structures of PYR1/HAB1 in complex with synthetic analogues of Abscisic Acid
Descriptor: (~{E})-3-(trifluoromethyl)-5-[(1~{S})-2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]pent-2-en-4-ynoic acid, Abscisic acid receptor PYR1, MANGANESE (II) ION, ...
Authors:Freigang, J.
Deposit date:2017-08-15
Release date:2018-06-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Insights into the in Vitro and in Vivo SAR of Abscisic Acid - Exploring Unprecedented Variations of the Side Chain via Cross-Coupling-Mediated Syntheses
Eur.J.Org.Chem., 2018
4BQF
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BU of 4bqf by Molmil
Arabidopsis thaliana cytosolic alpha-1,4-glucan phosphorylase (PHS2) in complex with acarbose
Descriptor: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, ALPHA-GLUCAN PHOSPHORYLASE 2, CYTOSOLIC, ...
Authors:O'Neill, E.C, Rashid, A.M, Stevenson, C.E.M, Hetru, A.C, Gunning, A.P, Rejzek, M, Nepogodiev, S.A, Bornemann, S, Lawson, D.M, Field, R.A.
Deposit date:2013-05-30
Release date:2014-02-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Sugar-Coated Sensor Chip and Nanoparticle Surfaces for the in Vitro Enzymatic Synthesis of Starch-Like Materials
Chem.Sci., 5, 2014
4ELG
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BU of 4elg by Molmil
Structure-activity relationship guides enantiomeric preference among potent inhibitors of B. anthracis dihydrofolate reductase
Descriptor: (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1R)-1-(2-methylpropyl)phthalazin-2(1H)-yl]prop-2 -en-1-one, (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylpropyl)phthalazin-2(1H)-yl]prop-2-en-1-one, CALCIUM ION, ...
Authors:Bourne, C.R, Barrow, W.W.
Deposit date:2012-04-10
Release date:2013-02-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Structure-activity relationship for enantiomers of potent inhibitors of B. anthracis dihydrofolate reductase.
Biochim.Biophys.Acta, 1834, 2013
6WB4
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BU of 6wb4 by Molmil
Microbiome-derived Acarbose Kinase Mak1 Labeled with selenomethionine
Descriptor: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Acarbose Kinase Mak1, ...
Authors:Jeffrey, P.D, Balaich, J.N, Estrella, M.A, Donia, M.S.
Deposit date:2020-03-26
Release date:2021-04-21
Last modified:2021-12-15
Method:X-RAY DIFFRACTION (2.593 Å)
Cite:The human microbiome encodes resistance to the antidiabetic drug acarbose.
Nature, 600, 2021
6WB5
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BU of 6wb5 by Molmil
Microbiome-derived Acarbose Kinase Mak1 as a Complex with Acarbose and AMP-PNP
Descriptor: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Acarbose Kinase Mak1, MANGANESE (II) ION, ...
Authors:Jeffrey, P.D, Balaich, J.N, Estrella, M.A, Donia, M.S.
Deposit date:2020-03-26
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.102 Å)
Cite:The human microbiome encodes resistance to the antidiabetic drug acarbose.
Nature, 600, 2021
6WB7
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BU of 6wb7 by Molmil
Acarbose Kinase AcbK as a Complex with Acarbose and AMP-PNP
Descriptor: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Acarbose 7(IV)-phosphotransferase, MANGANESE (II) ION, ...
Authors:Jeffrey, P.D, Balaich, J.N, Estrella, M.A, Donia, M.S.
Deposit date:2020-03-26
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:The human microbiome encodes resistance to the antidiabetic drug acarbose.
Nature, 600, 2021
2MZI
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BU of 2mzi by Molmil
NMR Solution Structure of the PRO Form of Human Matrilysin (proMMP-7) in Complex with Anionic Membrane
Descriptor: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, CHOLEST-5-EN-3-YL HYDROGEN SULFATE, ...
Authors:Prior, S.H, Van Doren, S.R.
Deposit date:2015-02-12
Release date:2016-09-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Charge-Triggered Membrane Insertion of Matrix Metalloproteinase-7, Supporter of Innate Immunity and Tumors.
Structure, 23, 2015
2XD9
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BU of 2xd9 by Molmil
STRUCTURE OF HELICOBACTER PYLORI TYPE II DEHYDROQUINASE IN COMPLEX WITH INHIBITOR COMPOUND (4R,6R,7S)-4,6,7-Trihydroxy-2-((E)-prop-1- enyl)-4,5,6,7-tetrahydrobenzo(b)thiophene-4-carboxylic acid
Descriptor: (4R,6R,7S)-4,6,7-TRIHYDROXY-2-[(1E)-PROP-1-EN-1-YL]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-4-CARBOXYLIC ACID, 3-DEHYDROQUINATE DEHYDRATASE
Authors:Paz, S, Tizon, L, Otero, J.M, Llamas-Saiz, A.L, Fox, G.C, van Raaij, M.J, Lamb, H, Hawkins, A.R, Lapthorn, A.J, Castedo, L, Gonzalez-Bello, C.
Deposit date:2010-04-30
Release date:2010-11-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Tetrahydrobenzothiophene derivatives: conformationally restricted inhibitors of type II dehydroquinase.
ChemMedChem, 6, 2011
2XFQ
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BU of 2xfq by Molmil
Rasagiline-inhibited human monoamine oxidase B in complex with 2-(2- benzofuranyl)-2-imidazoline
Descriptor: (1R)-N-(prop-2-en-1-yl)-2,3-dihydro-1H-inden-1-amine, 2-(2-BENZOFURANYL)-2-IMIDAZOLINE, Amine oxidase [flavin-containing] B, ...
Authors:Bonivento, D, Milczek, E.M, McDonald, G.R, Binda, C, Holt, A, Edmondson, D.E, Mattevi, A.
Deposit date:2010-05-26
Release date:2010-10-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Potentiation of ligand binding through cooperative effects in monoamine oxidase B.
J. Biol. Chem., 285, 2010
7P01
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BU of 7p01 by Molmil
Structure of the maltase BaAG2 from Blastobotrys adeninivorans in complex with acarbose
Descriptor: 1-methylpyrrolidin-2-one, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, BaAG2, ...
Authors:Ernits, K, Visnapuu, T, Persson, K.
Deposit date:2021-06-29
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural Insight into a Yeast Maltase-The Ba AG2 from Blastobotrys adeninivorans with Transglycosylating Activity.
J Fungi (Basel), 7, 2021
7P39
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BU of 7p39 by Molmil
4,6-alpha-glucanotransferase GtfB from Limosilactobacillus reuteri NCC 2613 complexed with acarbose
Descriptor: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, CALCIUM ION, Dextransucrase, ...
Authors:Pijning, T, te Poele, E, Gangoiti, J, Boerner, T, Dijkhuizen, L.
Deposit date:2021-07-07
Release date:2021-11-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Insights into Broad-Specificity Starch Modification from the Crystal Structure of Limosilactobacillus Reuteri NCC 2613 4,6-alpha-Glucanotransferase GtfB.
J.Agric.Food Chem., 69, 2021
3BC9
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BU of 3bc9 by Molmil
Alpha-amylase B in complex with acarbose
Descriptor: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 4,6-dideoxy-alpha-D-xylo-hexopyranose-(1-4)-alpha-D-glucopyranose, 4,6-dideoxy-alpha-D-xylo-hexopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, ...
Authors:Tan, T.-C, Mijts, B.N, Swaminathan, K, Patel, B.K.C, Divne, C.
Deposit date:2007-11-12
Release date:2008-04-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal Structure of the Polyextremophilic alpha-Amylase AmyB from Halothermothrix orenii: Details of a Productive Enzyme-Substrate Complex and an N Domain with a Role in Binding Raw Starch
J.Mol.Biol., 378, 2008
5CLT
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BU of 5clt by Molmil
Crystal structure of human glycogen branching enzyme (GBE1) in complex with acarbose
Descriptor: 1,4-alpha-glucan-branching enzyme, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Krojer, T, Froese, D.S, Goubin, S, Strain-Damerell, C, Mahajan, P, Burgess-Brown, N, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Yue, W, Structural Genomics Consortium (SGC)
Deposit date:2015-07-16
Release date:2015-08-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Crystal structure of human glycogen branching enzyme (GBE1) in complex with acarbose
To be published
2ZQ0
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BU of 2zq0 by Molmil
Crystal structure of SusB complexed with acarbose
Descriptor: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Alpha-glucosidase (Alpha-glucosidase SusB), CALCIUM ION
Authors:Yao, M, Tanaka, I, Kitamura, M.
Deposit date:2008-07-31
Release date:2008-10-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and functional analysis of a glycoside hydrolase family 97 enzyme from Bacteroides thetaiotaomicron.
J.Biol.Chem., 283, 2008
5CSY
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BU of 5csy by Molmil
Disproportionating enzyme 1 from Arabidopsis - acarbose soak
Descriptor: 1,2-ETHANEDIOL, 4-alpha-glucanotransferase DPE1, chloroplastic/amyloplastic, ...
Authors:O'Neill, E.C, Stevenson, C.E.M, Tantanarat, K, Latousakis, D, Donaldson, M.I, Rejzek, M, Limpaseni, T, Smith, A.M, Field, R.A, Lawson, D.M.
Deposit date:2015-07-23
Release date:2015-11-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural Dissection of the Maltodextrin Disproportionation Cycle of the Arabidopsis Plastidial Disproportionating Enzyme 1 (DPE1).
J.Biol.Chem., 290, 2015
3AIC
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BU of 3aic by Molmil
Crystal Structure of Glucansucrase from Streptococcus mutans
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, CALCIUM ION, ...
Authors:Ito, K, Ito, S, Shimamura, T, Iwata, S.
Deposit date:2010-05-12
Release date:2011-03-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Crystal structure of glucansucrase from the dental caries pathogen Streptococcus mutans.
J.Mol.Biol., 408, 2011
6AG0
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BU of 6ag0 by Molmil
The X-ray Crystallographic Structure of Maltooligosaccharide-forming Amylase from Bacillus stearothermophilus STB04
Descriptor: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Alpha-amylase, CALCIUM ION
Authors:Li, Z.F, Li, Y.L, Ban, X.F, Zhang, C.Y, Jin, T.C, Xie, X.F, Gu, Z.B, Li, C.M.
Deposit date:2018-08-09
Release date:2018-10-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a maltooligosaccharide-forming amylase from Bacillus stearothermophilus STB04.
Int.J.Biol.Macromol., 138, 2019
3WEO
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BU of 3weo by Molmil
Sugar beet alpha-glucosidase with acarviosyl-maltohexaose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
Authors:Tagami, T, Yamashita, K, Okuyama, M, Mori, H, Yao, M, Kimura, A.
Deposit date:2013-07-09
Release date:2014-07-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural advantage of sugar beet alpha-glucosidase to stabilize the Michaelis complex with long-chain substrate
J.Biol.Chem., 290, 2014
3WEM
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BU of 3wem by Molmil
Sugar beet alpha-glucosidase with acarviosyl-maltotetraose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Alpha-glucosidase, ...
Authors:Tagami, T, Yamashita, K, Okuyama, M, Mori, H, Yao, M, Kimura, A.
Deposit date:2013-07-09
Release date:2014-07-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.591 Å)
Cite:Structural advantage of sugar beet alpha-glucosidase to stabilize the Michaelis complex with long-chain substrate
J.Biol.Chem., 290, 2014
3WEL
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BU of 3wel by Molmil
Sugar beet alpha-glucosidase with acarviosyl-maltotriose
Descriptor: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Alpha-glucosidase, GLYCEROL, ...
Authors:Tagami, T, Yamashita, K, Okuyama, M, Mori, H, Yao, M, Kimura, A.
Deposit date:2013-07-08
Release date:2014-07-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural advantage of sugar beet alpha-glucosidase to stabilize the Michaelis complex with long-chain substrate
J.Biol.Chem., 290, 2014
3ZOA
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BU of 3zoa by Molmil
The structure of Trehalose Synthase (TreS) of Mycobacterium smegmatis in complex with acarbose
Descriptor: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
Authors:Caner, S, Nguyen, N, Aguda, A, Zhang, R, Pan, Y.T, Withers, S.G, Brayer, G.D.
Deposit date:2013-02-21
Release date:2013-07-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The Structure of the Mycobacterium Smegmatis Trehalose Synthase Reveals an Unusual Active Site Configuration and Acarbose-Binding Mode.
Glycobiology, 23, 2013
5TE5
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BU of 5te5 by Molmil
Crystal structure of Bos taurus opsin regenerated with 6-carbon ring retinal chromophore
Descriptor: (2E)-{(4E)-4-[(3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ylidene]cyclohex-2-en-1-ylidene}acetaldehyde, Rhodopsin
Authors:Gulati, S, Banerjee, S, Katayama, K, Kiser, P.D, Palczewski, K.
Deposit date:2016-09-20
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (4.01 Å)
Cite:Photocyclic behavior of rhodopsin induced by an atypical isomerization mechanism.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7LXL
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BU of 7lxl by Molmil
Crystal structure of human CYP3A4 bound to the testosterone dimer
Descriptor: 17alpha-hydroxy-7alpha-[(2Z)-4-(17beta-hydroxy-3-oxo-8alpha-androst-4-en-7beta-yl)but-2-en-1-yl]-8alpha,10alpha,13alpha,14beta-androst-4-en-3-one, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sevrioukova, I.F.
Deposit date:2021-03-04
Release date:2021-04-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Innovative C 2 -symmetric testosterone and androstenedione dimers: Design, synthesis, biological evaluation on prostate cancer cell lines and binding study to recombinant CYP3A4.
Eur.J.Med.Chem., 220, 2021
3WEN
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BU of 3wen by Molmil
Sugar beet alpha-glucosidase with acarviosyl-maltopentaose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Alpha-glucosidase, ...
Authors:Tagami, T, Yamashita, K, Okuyama, M, Mori, H, Yao, M, Kimura, A.
Deposit date:2013-07-09
Release date:2014-07-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structural advantage of sugar beet alpha-glucosidase to stabilize the Michaelis complex with long-chain substrate
J.Biol.Chem., 290, 2014

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