2MZI
| 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
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4BQF
| 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
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4ELB
| 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
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2KC6
| 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
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4OGQ
| 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
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4EB3
| 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
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6FHW
| 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
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6GNE
| 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
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3K8M
| 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
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8CQF
| 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
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6TOZ
| 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
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5NN8
| 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
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7LXL
| 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
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7P01
| 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
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7P39
| 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
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6GXV
| 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
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6AG0
| 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
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5OR6
| 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
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3IJY
| 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
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6USC
| 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
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3IKC
| 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
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3HZK
| 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
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3HZY
| 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
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3I02
| 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
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5TE5
| 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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