6ESQ
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![BU of 6esq by Molmil](/molmil-images/mine/6esq) | Structure of the acetoacetyl-CoA thiolase/HMG-CoA synthase complex from Methanothermococcus thermolithotrophicus soaked with acetyl-CoA | Descriptor: | CHLORIDE ION, COENZYME A, HydroxyMethylGlutaryl-CoA synthase, ... | Authors: | Voegeli, B, Engilberge, S, Girard, E, Riobe, F, Maury, O, Erb, J.T, Shima, S, Wagner, T. | Deposit date: | 2017-10-24 | Release date: | 2018-03-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Archaeal acetoacetyl-CoA thiolase/HMG-CoA synthase complex channels the intermediate via a fused CoA-binding site. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6P85
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![BU of 6p85 by Molmil](/molmil-images/mine/6p85) | E.coli LpxD in complex with compound 3 | Descriptor: | 1-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfonyl]-1H-1,2,3-triazol-5-amine, 3-hydroxy-7,7-dimethyl-2-phenyl-4-(thiophen-2-yl)-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one, MAGNESIUM ION, ... | Authors: | Ma, X, Shia, S. | Deposit date: | 2019-06-06 | Release date: | 2019-08-28 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and Biological Basis of Small Molecule Inhibition ofEscherichia coliLpxD Acyltransferase Essential for Lipopolysaccharide Biosynthesis. Acs Infect Dis., 6, 2020
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6ET9
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![BU of 6et9 by Molmil](/molmil-images/mine/6et9) | Structure of the acetoacetyl-CoA-thiolase/HMG-CoA-synthase complex from Methanothermococcus thermolithotrophicus at 2.75 A | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Acetyl-CoA acetyltransferase thiolase, CHLORIDE ION, ... | Authors: | Engilberge, S, Voegeli, B, Girard, E, Riobe, F, Maury, O, Erb, T.J, Shima, S, Wagner, T. | Deposit date: | 2017-10-25 | Release date: | 2018-03-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Archaeal acetoacetyl-CoA thiolase/HMG-CoA synthase complex channels the intermediate via a fused CoA-binding site. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6P89
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![BU of 6p89 by Molmil](/molmil-images/mine/6p89) | E.coli LpxD in complex with compound 7 | Descriptor: | 3-hydroxy-7,7-dimethyl-2-phenyl-4-(thiophen-2-yl)-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one, MAGNESIUM ION, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide, ... | Authors: | Ma, X, Shia, S. | Deposit date: | 2019-06-06 | Release date: | 2019-08-28 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural and Biological Basis of Small Molecule Inhibition ofEscherichia coliLpxD Acyltransferase Essential for Lipopolysaccharide Biosynthesis. Acs Infect Dis., 6, 2020
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6P87
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![BU of 6p87 by Molmil](/molmil-images/mine/6p87) | E.coli LpxD in complex with compound 5 | Descriptor: | 3-hydroxy-7,7-dimethyl-2-phenyl-4-(thiophen-2-yl)-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one, MAGNESIUM ION, N-[(R)-(1H-indol-3-yl)(thiophen-2-yl)methyl]-2-(2-methoxyphenoxy)-N-methylacetamide, ... | Authors: | Ma, X, Shia, S. | Deposit date: | 2019-06-06 | Release date: | 2019-08-28 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and Biological Basis of Small Molecule Inhibition ofEscherichia coliLpxD Acyltransferase Essential for Lipopolysaccharide Biosynthesis. Acs Infect Dis., 6, 2020
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6P8B
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![BU of 6p8b by Molmil](/molmil-images/mine/6p8b) | E.coli LpxD in complex with peptide FITC-RJPXD33 | Descriptor: | 3-hydroxy-7,7-dimethyl-2-phenyl-4-(thiophen-2-yl)-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one, FITC-RJPXD33, MAGNESIUM ION, ... | Authors: | Ma, X, Shia, S. | Deposit date: | 2019-06-06 | Release date: | 2019-08-28 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and Biological Basis of Small Molecule Inhibition ofEscherichia coliLpxD Acyltransferase Essential for Lipopolysaccharide Biosynthesis. Acs Infect Dis., 6, 2020
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6P84
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![BU of 6p84 by Molmil](/molmil-images/mine/6p84) | E.coli LpxD in complex with compound 2o | Descriptor: | 3-hydroxy-7,7-dimethyl-2-phenyl-4-(thiophen-2-yl)-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one, MAGNESIUM ION, UDP-3-O-(3-hydroxymyristoyl)glucosamine N-acyltransferase | Authors: | Ma, X, Shia, S. | Deposit date: | 2019-06-06 | Release date: | 2019-08-28 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and Biological Basis of Small Molecule Inhibition ofEscherichia coliLpxD Acyltransferase Essential for Lipopolysaccharide Biosynthesis. Acs Infect Dis., 6, 2020
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1X65
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![BU of 1x65 by Molmil](/molmil-images/mine/1x65) | Solution structure of the third cold-shock domain of the human KIAA0885 protein (UNR PROTEIN) | Descriptor: | UNR protein | Authors: | Goroncy, A.K, Kigawa, T, Koshiba, S, Kobayashi, N, Tochio, N, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-05-17 | Release date: | 2005-11-17 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | The NMR solution structures of the five constituent cold-shock domains (CSD) of the human UNR (upstream of N-ras) protein. J.Struct.Funct.Genom., 11, 2010
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8IC7
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![BU of 8ic7 by Molmil](/molmil-images/mine/8ic7) | exo-beta-D-arabinofuranosidase ExoMA2 from Microbacterium arabinogalactanolyticum in complex with beta-D-arabinofuranose | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Fukushima, R, Kashima, T, Ishiwata, A, Fujita, K, Fushinobu, S. | Deposit date: | 2023-02-11 | Release date: | 2023-08-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Identification and characterization of endo-alpha-, exo-alpha-, and exo-beta-D-arabinofuranosidases degrading lipoarabinomannan and arabinogalactan of mycobacteria. Nat Commun, 14, 2023
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8IC6
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![BU of 8ic6 by Molmil](/molmil-images/mine/8ic6) | exo-beta-D-arabinanase ExoMA2 from Microbacterium arabinogalactanolyticum in complex with Tris | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Fukushima, R, Kashima, T, Ishiwata, A, Fujita, K, Fushinobu, S. | Deposit date: | 2023-02-10 | Release date: | 2023-08-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Identification and characterization of endo-alpha-, exo-alpha-, and exo-beta-D-arabinofuranosidases degrading lipoarabinomannan and arabinogalactan of mycobacteria. Nat Commun, 14, 2023
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6P83
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![BU of 6p83 by Molmil](/molmil-images/mine/6p83) | E.coli LpxD in complex with compound 1o | Descriptor: | 4-(2-chlorophenyl)-3-hydroxy-7,7-dimethyl-2-phenyl-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one, MAGNESIUM ION, UDP-3-O-(3-hydroxymyristoyl)glucosamine N-acyltransferase | Authors: | Ma, X, Shia, S. | Deposit date: | 2019-06-06 | Release date: | 2019-08-28 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and Biological Basis of Small Molecule Inhibition ofEscherichia coliLpxD Acyltransferase Essential for Lipopolysaccharide Biosynthesis. Acs Infect Dis., 6, 2020
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6P8A
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![BU of 6p8a by Molmil](/molmil-images/mine/6p8a) | E.coli LpxD in complex with compound 8.1 | Descriptor: | 2-[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]-N-[3-(morpholin-4-yl)propyl]acetamide, 3-hydroxy-7,7-dimethyl-2-phenyl-4-(thiophen-2-yl)-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one, MAGNESIUM ION, ... | Authors: | Ma, X, Shia, S. | Deposit date: | 2019-06-06 | Release date: | 2019-08-28 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and Biological Basis of Small Molecule Inhibition ofEscherichia coliLpxD Acyltransferase Essential for Lipopolysaccharide Biosynthesis. Acs Infect Dis., 6, 2020
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7BZL
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![BU of 7bzl by Molmil](/molmil-images/mine/7bzl) | GH127 beta-L-arabinofuranosidase HypBA1 covalently complexed with beta-L-arabinofuranose-configured cyclophellitol | Descriptor: | (1S,2S,3R,4R)-3-(hydroxymethyl)cyclopentane-1,2,4-triol, Non-reducing end beta-L-arabinofuranosidase, ZINC ION | Authors: | Amaki, S, McGregor, N.G.S, Arakawa, T, Yamada, C, Borlandelli, V, Overkleeft, H.S, Davies, G.J, Fushinobu, S. | Deposit date: | 2020-04-28 | Release date: | 2021-01-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Cysteine Nucleophiles in Glycosidase Catalysis: Application of a Covalent beta-l-Arabinofuranosidase Inhibitor. Angew.Chem.Int.Ed.Engl., 60, 2021
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5GKI
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![BU of 5gki by Molmil](/molmil-images/mine/5gki) | Structure of EndoMS-dsDNA3 complex | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*GP*CP*CP*TP*AP*GP*GP*TP*CP*CP*CP*GP*TP*CP*C)-3'), DNA (5'-D(*GP*GP*AP*CP*GP*GP*GP*GP*CP*CP*TP*AP*GP*GP*C)-3'), ... | Authors: | Nakae, S, Hijikata, A, Tsuji, T, Yonezawa, K, Kouyama, K, Mayanagi, K, Ishino, S, Ishino, Y, Shirai, T. | Deposit date: | 2016-07-04 | Release date: | 2016-11-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of the EndoMS-DNA Complex as Mismatch Restriction Endonuclease Structure, 24, 2016
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6EQO
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![BU of 6eqo by Molmil](/molmil-images/mine/6eqo) | Tri-functional propionyl-CoA synthase of Erythrobacter sp. NAP1 with bound NADP+ and phosphomethylphosphonic acid adenylate ester | Descriptor: | Acetyl-coenzyme A synthetase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | Authors: | Zarzycki, J, Bernhardsgruetter, I, Voegeli, B, Wagner, T, Engilberge, S, Girard, E, Shima, S, Erb, T.J. | Deposit date: | 2017-10-13 | Release date: | 2018-10-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The multicatalytic compartment of propionyl-CoA synthase sequesters a toxic metabolite. Nat. Chem. Biol., 14, 2018
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3FUC
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![BU of 3fuc by Molmil](/molmil-images/mine/3fuc) | Recombinant calf purine nucleoside phosphorylase in a binary complex with multisubstrate analogue inhibitor 9-(5',5'-difluoro-5'-phosphonopentyl)-9-deazaguanine structure in a new space group with one full trimer in the asymmetric unit | Descriptor: | AZIDE ION, MAGNESIUM ION, Purine nucleoside phosphorylase, ... | Authors: | Bochtler, M, Breer, K, Bzowska, A, Chojnowski, G, Hashimoto, M, Hikishima, S, Narczyk, M, Wielgus-Kutrowska, B, Yokomatsu, T. | Deposit date: | 2009-01-14 | Release date: | 2009-12-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | 1.45 A resolution crystal structure of recombinant PNP in complex with a pM multisubstrate analogue inhibitor bearing one feature of the postulated transition state. Biochem.Biophys.Res.Commun., 391, 2010
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5GKG
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![BU of 5gkg by Molmil](/molmil-images/mine/5gkg) | Structure of EndoMS-dsDNA1'' complex | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*CP*GP*CP*TP*AP*CP*AP*GP*GP*TP*CP*GP*TP*CP*C)-3'), DNA (5'-D(*GP*GP*AP*CP*GP*AP*CP*GP*TP*GP*TP*AP*GP*CP*G)-3'), ... | Authors: | Nakae, S, Hijikata, A, Tsuji, T, Yonezawa, K, Kouyama, K, Mayanagi, K, Ishino, S, Ishino, Y, Shirai, T. | Deposit date: | 2016-07-04 | Release date: | 2016-11-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of the EndoMS-DNA Complex as Mismatch Restriction Endonuclease Structure, 24, 2016
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1UHF
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![BU of 1uhf by Molmil](/molmil-images/mine/1uhf) | Solution Structure of the third SH3 domain of human intersectin 2(KIAA1256) | Descriptor: | INTERSECTIN 2 | Authors: | Suzuki, S, Hatanaka, H, Koshiba, S, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2003-07-03 | Release date: | 2004-08-10 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution Structure of the third SH3 domain of human intersectin 2(KIAA1256) To be Published
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5GKJ
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![BU of 5gkj by Molmil](/molmil-images/mine/5gkj) | Structure of EndoMS in apo form | Descriptor: | Endonuclease EndoMS | Authors: | Nakae, S, Hijikata, A, Tsuji, T, Yonezawa, K, Kouyama, K, Mayanagi, K, Ishino, S, Ishino, Y, Shirai, T. | Deposit date: | 2016-07-04 | Release date: | 2016-11-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure of the EndoMS-DNA Complex as Mismatch Restriction Endonuclease Structure, 24, 2016
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5GKF
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![BU of 5gkf by Molmil](/molmil-images/mine/5gkf) | Structure of EndoMS-dsDNA1' complex | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*CP*GP*CP*TP*AP*CP*AP*TP*GP*TP*CP*GP*TP*CP*C)-3'), DNA (5'-D(*GP*GP*AP*CP*GP*AP*CP*TP*TP*GP*TP*AP*GP*CP*G)-3'), ... | Authors: | Nakae, S, Hijikata, A, Tsuji, T, Yonezawa, K, Kouyama, K, Mayanagi, K, Ishino, S, Ishino, Y, Shirai, T. | Deposit date: | 2016-07-04 | Release date: | 2016-11-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of the EndoMS-DNA Complex as Mismatch Restriction Endonuclease Structure, 24, 2016
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5GKE
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![BU of 5gke by Molmil](/molmil-images/mine/5gke) | Structure of EndoMS-dsDNA1 complex | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*CP*GP*CP*TP*AP*CP*AP*TP*GP*TP*CP*GP*TP*CP*C)-3'), DNA (5'-D(*GP*GP*AP*CP*GP*AP*CP*GP*TP*GP*TP*AP*GP*CP*G)-3'), ... | Authors: | Nakae, S, Hijikata, A, Tsuji, T, Yonezawa, K, Kouyama, K, Mayanagi, K, Ishino, S, Ishino, Y, Shirai, T. | Deposit date: | 2016-07-04 | Release date: | 2016-11-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the EndoMS-DNA Complex as Mismatch Restriction Endonuclease Structure, 24, 2016
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5GKH
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![BU of 5gkh by Molmil](/molmil-images/mine/5gkh) | Structure of EndoMS-dsDNA2 complex | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*AP*CP*GP*GP*CP*AP*CP*TP*TP*GP*GP*CP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*GP*CP*CP*AP*GP*GP*TP*GP*CP*CP*GP*T)-3'), ... | Authors: | Nakae, S, Hijikata, A, Tsuji, T, Yonezawa, K, Kouyama, K, Mayanagi, K, Ishino, S, Ishino, Y, Shirai, T. | Deposit date: | 2016-07-04 | Release date: | 2016-11-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of the EndoMS-DNA Complex as Mismatch Restriction Endonuclease Structure, 24, 2016
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5B1B
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![BU of 5b1b by Molmil](/molmil-images/mine/5b1b) | Bovine heart cytochrome c oxidase in the fully reduced state at 1.6 angstrom resolution | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Yano, N, Muramoto, K, Shimada, A, Takemura, S, Baba, J, Fujisawa, H, Mochizuki, M, Shinzawa-Itoh, K, Yamashita, E, Tsukihara, T, Yoshikawa, S. | Deposit date: | 2015-12-01 | Release date: | 2016-09-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Mg2+-containing Water Cluster of Mammalian Cytochrome c Oxidase Collects Four Pumping Proton Equivalents in Each Catalytic Cycle. J.Biol.Chem., 291, 2016
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3GJJ
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![BU of 3gjj by Molmil](/molmil-images/mine/3gjj) | crystal structure of a DNA duplex containing 7,8-dihydropyridol[2,3-d]pyrimidin-2-one | Descriptor: | 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, 5'-D(*CP*GP*CP*GP*AP*AP*TP*(B7C)P*CP*GP*CP*G)-3' | Authors: | Takenaka, A, Juan, E.C.M, Shimizu, S, Haraguchi, T, Xiao, M, Kurose, T, Ohkubo, A, Sekine, M, Shibata, T, Millington, C.L, Williams, D.M. | Deposit date: | 2009-03-09 | Release date: | 2010-03-31 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Insights into the stabilizing contributions of bicyclic cytosine analogues: crystal structures of DNA duplexes containing 7,8-dihydropyridol[2,3-d]pyrimidin-2-one To be Published
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3GJK
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![BU of 3gjk by Molmil](/molmil-images/mine/3gjk) | crystal structure of a DNA duplex containing 7,8-dihydropyridol[2,3-d]pyrimidin-2-one | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*A)-3', 5'-D(P*TP*TP*(B7C)P*GP*CP*G)-3', POTASSIUM ION | Authors: | Takenaka, A, Juan, E.C.M, Shimizu, S, Haraguchi, T, Xiao, M, Kurose, T, Ohkubo, A, Sekine, M, Shibata, T, Millington, C.L, Williams, D.M. | Deposit date: | 2009-03-09 | Release date: | 2010-03-31 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Insights into the stabilizing contributions of bicyclic cytosine analogues: crystal structures of DNA duplexes containing 7,8-dihydropyridol[2,3-d]pyrimidin-2-one To be Published
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