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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:2023-06-14
Method:SOLUTION NMR
Cite:Charge-Triggered Membrane Insertion of Matrix Metalloproteinase-7, Supporter of Innate Immunity and Tumors.
Structure, 23, 2015
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
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
2KC6
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BU of 2kc6 by Molmil
NMR solution structure of the pheromone En-1 of Euplotes nobilii at -1.5 C
Descriptor: Mating pheromone En-1
Authors:Pedrini, B, Alimenti, C, Vallesi, A, Luporini, P, Wuthrich, K.
Deposit date:2008-12-17
Release date:2009-08-04
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Molecular cold-adaptation: Comparative analysis of two homologous families of psychrophilic and mesophilic signal proteins of the protozoan ciliate, Euplotes.
Iubmb Life, 61, 2009
4OGQ
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BU of 4ogq by Molmil
Internal Lipid Architecture of the Hetero-Oligomeric Cytochrome b6f Complex
Descriptor: (1R)-1-{[(2S)-3-hydroxy-2-{[(1R)-1-hydroxypentyl]oxy}propyl]oxy}hexan-1-ol, (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate, (1S,8E)-1-{[(2S)-1-hydroxy-3-{[(1S)-1-hydroxypentadecyl]oxy}propan-2-yl]oxy}heptadec-8-en-1-ol, ...
Authors:Hasan, S.S, Cramer, W.A.
Deposit date:2014-01-16
Release date:2014-05-14
Last modified:2021-03-10
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Internal Lipid Architecture of the Hetero-Oligomeric Cytochrome b6f Complex.
Structure, 22, 2014
4EB3
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BU of 4eb3 by Molmil
Crystal structure of IspH in complex with iso-HMBPP
Descriptor: 3-(hydroxymethyl)but-3-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER
Authors:Wang, W, Wang, K, Span, I, Bacher, A, Groll, M, Oldfield, E.
Deposit date:2012-03-23
Release date:2013-02-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Are free radicals involved in IspH catalysis? An EPR and crystallographic investigation.
J.Am.Chem.Soc., 134, 2012
6FHW
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BU of 6fhw by Molmil
Structure of Hormoconis resinae Glucoamylase
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, ...
Authors:Roth, C, Moroz, O.V, Ariza, A, Friis, E.P, Davies, G.J, Wilson, K.S.
Deposit date:2018-01-15
Release date:2018-05-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural insight into industrially relevant glucoamylases: flexible positions of starch-binding domains.
Acta Crystallogr D Struct Biol, 74, 2018
6GNE
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BU of 6gne by Molmil
Catalytic domain of Starch Synthase IV from Arabidopsis thaliana bound to ADP and 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, ADENOSINE-5'-DIPHOSPHATE, Probable starch synthase 4, ...
Authors:Cuesta-Seijo, J.A, Ruzanski, C, Krucewicz, K, Striebeck, A, Palcic, M.M.
Deposit date:2018-05-30
Release date:2018-07-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal Structures of theCatalyticDomain ofArabidopsis thalianaStarch Synthase IV, of Granule Bound Starch Synthase From CLg1 and of Granule Bound Starch Synthase I ofCyanophora paradoxaIllustrate Substrate Recognition in Starch Synthases.
Front Plant Sci, 9, 2018
3K8M
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BU of 3k8m by Molmil
Crystal structure of SusG with acarbose
Descriptor: 1,2-ETHANEDIOL, 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, 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:Koropatkin, N.M, Smith, T.J.
Deposit date:2009-10-14
Release date:2010-03-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:SusG: A Unique Cell-Membrane-Associated alpha-Amylase from a Prominent Human Gut Symbiont Targets Complex Starch Molecules.
Structure, 18, 2010
8CQF
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BU of 8cqf by Molmil
Crystal Structure of a Chimeric Alpha-Amylase from Pseudoalteromonas Haloplanktis Complexed with Rearranged Acarbose
Descriptor: 1,2-ETHANEDIOL, 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)-1,5-anhydro-D-glucitol, 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:Skagseth, S, Griese, J.J, Lund, B.A, van der Ent, F, Aqvist, J.
Deposit date:2023-03-06
Release date:2023-06-21
Last modified:2023-07-12
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Computational design of the temperature optimum of an enzyme reaction.
Sci Adv, 9, 2023
6TOZ
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BU of 6toz by Molmil
Crystal structure of Bacillus paralicheniformis alpha-amylase 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, ACETIC ACID, Amylase, ...
Authors:Rozeboom, H.J, Janssen, D.B.
Deposit date:2019-12-12
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Characterization of the starch surface binding site on Bacillus paralicheniformis alpha-amylase.
Int.J.Biol.Macromol., 165, 2020
5NN8
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BU of 5nn8 by Molmil
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with acarbose
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Roig-Zamboni, V, Cobucci-Ponzano, B, Iacono, R, Ferrara, M.C, Germany, S, Parenti, G, Bourne, Y, Moracci, M.
Deposit date:2017-04-08
Release date:2017-10-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure of human lysosomal acid alpha-glucosidase-a guide for the treatment of Pompe disease.
Nat Commun, 8, 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
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
6GXV
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BU of 6gxv by Molmil
Amylase 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)-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, A-amylase, CALCIUM ION, ...
Authors:Agirre, J, Moroz, O, Meier, S, Brask, J, Munch, A, Hoff, T, Andersen, C, Wilson, K.S, Davies, G.J.
Deposit date:2018-06-27
Release date:2019-01-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:The structure of the AliC GH13 alpha-amylase from Alicyclobacillus sp. reveals the accommodation of starch branching points in the alpha-amylase family.
Acta Crystallogr D Struct Biol, 75, 2019
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
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
3IJY
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Structure of S67-27 in Complex with Kdo(2.8)Kdo
Descriptor: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-8)-prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid, Immunoglobulin heavy chain (IGG3), Immunoglobulin light chain (IGG3), ...
Authors:Brooks, C.L, Blackler, R.J, Evans, S.V.
Deposit date:2009-08-05
Release date:2009-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:The role of CDR H3 in antibody recognition of a synthetic analog of a lipopolysaccharide antigen.
Glycobiology, 20, 2010
6USC
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BU of 6usc by Molmil
Structure of Human Intelectin-1 in complex with KO
Descriptor: CALCIUM ION, CHLORIDE ION, Intelectin-1, ...
Authors:Windsor, I.W, Isabella, C.R, Kosma, P, Raines, R.T, Kiessling, L.L.
Deposit date:2019-10-25
Release date:2020-01-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Stereoelectronic Effects Impact Glycan Recognition.
J.Am.Chem.Soc., 142, 2020
3IKC
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BU of 3ikc by Molmil
Structure of S67-27 in Complex with Kdo(2.8)-7-O-methyl-Kdo
Descriptor: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-8)-(1E)-prop-1-en-1-yl 3-deoxy-7-O-methyl-alpha-D-manno-oct-2-ulopyranosidonic acid, Immunoglobulin heavy chain (IGG3), Immunoglobulin light chain (IGG3), ...
Authors:Brooks, C.L, Blackler, R.J, Evans, S.V.
Deposit date:2009-08-05
Release date:2009-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The role of CDR H3 in antibody recognition of a synthetic analog of a lipopolysaccharide antigen.
Glycobiology, 20, 2010
3HZK
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BU of 3hzk by Molmil
Crystal structure of S73-2 antibody in complex with antigen Kdo(2.4)Kdo
Descriptor: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid, MAGNESIUM ION, S73-2 Fab (IgG1k) heavy chain, ...
Authors:Brooks, C.L, Muller-Loennies, S, Borisova, S.N, Brade, L, Kosma, P, Hirama, T, MacKenzie, C.R, Brade, H, Evans, S.V.
Deposit date:2009-06-23
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Antibodies raised against chlamydial lipopolysaccharide antigens reveal convergence in germline gene usage and differential epitope recognition
Biochemistry, 49, 2010
3HZY
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BU of 3hzy by Molmil
Crystal structure of S73-2 antibody in complex with antigen Kdo(2.4)Kdo(2.4)Kdo
Descriptor: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid, MAGNESIUM ION, S73-2 Fab (IgG1k) heavy chain, ...
Authors:Brooks, C.L, Muller-Loennies, S, Borisova, S.N, Brade, L, Kosma, P, Hirama, T, MacKenzie, C.R, Brade, H, Evans, S.V.
Deposit date:2009-06-24
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Antibodies raised against chlamydial lipopolysaccharide antigens reveal convergence in germline gene usage and differential epitope recognition
Biochemistry, 49, 2010
3I02
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BU of 3i02 by Molmil
Crystal structure of S54-10 antibody in complex with antigen Kdo(2.4)Kdo(2.4)Kdo
Descriptor: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid, Immunoglobulin heavy chain, Immunoglobulin light chain
Authors:Brooks, C.L, Muller-Loennies, S, Borisova, S.N, Brade, L, Kosma, P, Hirama, T, MacKenzie, C.R, Brade, H, Evans, S.V.
Deposit date:2009-06-24
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Antibodies raised against chlamydial lipopolysaccharide antigens reveal convergence in germline gene usage and differential epitope recognition
Biochemistry, 49, 2010
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

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