5B48
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![BU of 5b48 by Molmil](/molmil-images/mine/5b48) | 2-Oxoacid:Ferredoxin Oxidoreductase 1 from Sulfolobus tokodai | Descriptor: | 2-[(2E)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-(1-oxidanylpropylidene)-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, 2-oxoacid--ferredoxin oxidoreductase alpha subunit, 2-oxoacid--ferredoxin oxidoreductase beta subunit, ... | Authors: | Yan, Z, Maruyama, A, Arakawa, T, Fushinobu, S, Wakagi, T. | Deposit date: | 2016-04-01 | Release date: | 2016-09-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of archaeal 2-oxoacid:ferredoxin oxidoreductases from Sulfolobus tokodaii Sci Rep, 6, 2016
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3N0R
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351D
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7Z9G
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![BU of 7z9g by Molmil](/molmil-images/mine/7z9g) | E.coli gyrase holocomplex with 217 bp DNA and Albi-2 | Descriptor: | 4-[[3-(2-azanylethoxy)-2-oxidanyl-4-[[5-[[(2~{S})-2-[[4-[(6-oxidanylnaphthalen-2-yl)carbonylamino]phenyl]carbonylamino]-3-(1~{H}-1,2,3-triazol-4-yl)propanoyl]amino]pyridin-2-yl]carbonylamino]phenyl]carbonylamino]-3-methoxy-2-oxidanyl-benzoic acid, DNA (5'-D(*AP*AP*TP*CP*AP*CP*CP*CP*GP*CP*AP*CP*AP*GP*AP*TP*TP*T)-3'), DNA (5'-D(*GP*AP*TP*TP*TP*TP*AP*TP*GP*CP*CP*TP*GP*AP*TP*TP*CP*T)-3'), ... | Authors: | Ghilarov, D, Heddle, J.G.H. | Deposit date: | 2022-03-21 | Release date: | 2023-02-15 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Molecular mechanism of topoisomerase poisoning by the peptide antibiotic albicidin. Nat Catal, 6, 2023
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7Z9M
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![BU of 7z9m by Molmil](/molmil-images/mine/7z9m) | E.coli gyrase holocomplex with 217 bp DNA and Albi-1 (site AA) | Descriptor: | 4-[[4-[[5-[[(2S)-2-[[5-[(4-cyanophenyl)carbonylamino]pyridin-2-yl]carbonylamino]-3-(1H-1,2,3-triazol-4-yl)propanoyl]amino]pyridin-2-yl]carbonylamino]-2-oxidanyl-3-propan-2-yloxy-phenyl]carbonylamino]benzoic acid, DNA (5'-D(*AP*AP*TP*CP*AP*CP*CP*CP*GP*CP*AP*CP*AP*GP*AP*TP*TP*T)-3'), DNA (5'-D(*GP*AP*TP*TP*TP*TP*AP*TP*GP*CP*CP*TP*GP*AP*TP*TP*CP*T)-3'), ... | Authors: | Ghilarov, D, Heddle, J.G.H. | Deposit date: | 2022-03-21 | Release date: | 2023-02-15 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Molecular mechanism of topoisomerase poisoning by the peptide antibiotic albicidin. Nat Catal, 6, 2023
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5XA3
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![BU of 5xa3 by Molmil](/molmil-images/mine/5xa3) | Crystal Structure of P450BM3 with Benzyloxycarbonyl-L-prolyl-L-phenylalanine | Descriptor: | Bifunctional cytochrome P450/NADPH-P450 reductase, DIMETHYL SULFOXIDE, PHENYLALANINE, ... | Authors: | Shoji, O, Yanagisawa, S, Stanfield, J.K, Suzuki, K, Kasai, C, Cong, Z, Sugimoto, H, Shiro, Y, Watanabe, Y. | Deposit date: | 2017-03-10 | Release date: | 2018-02-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Direct Hydroxylation of Benzene to Phenol by Cytochrome P450BM3 Triggered by Amino Acid Derivatives. Angew. Chem. Int. Ed. Engl., 56, 2017
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5M94
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8OQM
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![BU of 8oqm by Molmil](/molmil-images/mine/8oqm) | Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-10 | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase, 6-[(6-azanyl-4-oxidanyl-naphthalen-2-yl)sulfonylamino]-4-oxidanyl-naphthalene-2-sulfonic acid, 6-azanyl-4-oxidanyl-naphthalene-2-sulfonic acid, ... | Authors: | Dalwani, S, Wierenga, R.K, Venkatesan, R. | Deposit date: | 2023-04-12 | Release date: | 2024-01-24 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them. Acta Crystallogr D Struct Biol, 80, 2024
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6UBP
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![BU of 6ubp by Molmil](/molmil-images/mine/6ubp) | Crystal structure of a photochemical intermediate of human indoleamine 2,3-dioxygenase 1 in complex with carbon monoxide and tryptophan | Descriptor: | CARBON MONOXIDE, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Pham, K.N, Yeh, S.R. | Deposit date: | 2019-09-12 | Release date: | 2021-02-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Conformational Plasticity in Human Heme-Based Dioxygenases. J.Am.Chem.Soc., 143, 2021
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1T6P
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7Z9C
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![BU of 7z9c by Molmil](/molmil-images/mine/7z9c) | E.coli gyrase holocomplex with 217 bp DNA and albicidin | Descriptor: | DNA (5'-D(*AP*AP*TP*CP*AP*CP*CP*CP*GP*CP*AP*CP*AP*GP*AP*TP*TP*T)-3'), DNA (5'-D(*GP*AP*TP*TP*TP*TP*AP*TP*GP*CP*CP*TP*GP*AP*TP*TP*CP*T)-3'), DNA (5'-D(P*AP*AP*AP*TP*CP*TP*GP*TP*GP*CP*GP*GP*GP*T)-3'), ... | Authors: | Ghilarov, D, Heddle, J.G.H, Suessmuth, R. | Deposit date: | 2022-03-21 | Release date: | 2023-02-15 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.06 Å) | Cite: | Molecular mechanism of topoisomerase poisoning by the peptide antibiotic albicidin. Nat Catal, 6, 2023
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6UC1
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![BU of 6uc1 by Molmil](/molmil-images/mine/6uc1) | Crystal structure of D678A GoxA soaked in glycine at pH 7.5 | Descriptor: | GLYCINE, MAGNESIUM ION, SULFATE ION, ... | Authors: | Yukl, E.T. | Deposit date: | 2019-09-13 | Release date: | 2019-10-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Kinetic and structural evidence that Asp-678 plays multiple roles in catalysis by the quinoprotein glycine oxidase. J.Biol.Chem., 294, 2019
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5MBQ
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![BU of 5mbq by Molmil](/molmil-images/mine/5mbq) | CeuE (H227A variant) a periplasmic protein from Campylobacter jejuni | Descriptor: | Enterochelin uptake periplasmic binding protein | Authors: | Wilde, E.J, Blagova, E.V, Hughes, A, Raines, D.J, Moroz, O.V, Turkenburg, J.P, Duhme-Klair, A.-K, Wilson, K.S. | Deposit date: | 2016-11-08 | Release date: | 2017-04-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Interactions of the periplasmic binding protein CeuE with Fe(III) n-LICAM(4-) siderophore analogues of varied linker length. Sci Rep, 7, 2017
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8IHW
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![BU of 8ihw by Molmil](/molmil-images/mine/8ihw) | X-ray crystal structure of D43R mutant of endo-1,4-beta glucanase from Eisenia fetida | Descriptor: | CALCIUM ION, Endoglucanase, GLYCEROL, ... | Authors: | Kuroki, C, Hirano, Y, Nakazawa, M, Sakamoto, T, Tamada, T, Ueda, M. | Deposit date: | 2023-02-24 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A single mutation Asp43Arg was increased 2.5-fold the catalytic activity and maintained the stability of cold-adapted endo-1,4-beta glucanase (Ef-EG2) from Eisenia fetida. Curr Res Biotechnol, 5, 2023
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8IHX
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![BU of 8ihx by Molmil](/molmil-images/mine/8ihx) | X-ray crystal structure of N372D mutant of endo-1,4-beta glucanase from Eisenia fetida | Descriptor: | CALCIUM ION, Endoglucanase, GLYCEROL, ... | Authors: | Kuroki, C, Hirano, Y, Nakazawa, M, Sakamoto, T, Tamada, T, Ueda, M. | Deposit date: | 2023-02-24 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A single mutation Asp43Arg was increased 2.5-fold the catalytic activity and maintained the stability of cold-adapted endo-1,4-beta glucanase (Ef-EG2) from Eisenia fetida. Curr Res Biotechnol, 5, 2023
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8C2D
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![BU of 8c2d by Molmil](/molmil-images/mine/8c2d) | 14-3-3 in complex with Pyrin pS208 | Descriptor: | 14-3-3 protein sigma, MAGNESIUM ION, Pyrin pS208 peptide | Authors: | Lau, R, Ottmann, C, Hann, M. | Deposit date: | 2022-12-22 | Release date: | 2023-07-26 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure and ligandability of the 14-3-3/pyrin interface. Biochem.Biophys.Res.Commun., 651, 2023
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1BC1
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![BU of 1bc1 by Molmil](/molmil-images/mine/1bc1) | RECOMBINANT RAT ANNEXIN V, QUADRUPLE MUTANT (T72K, S144K, S228K, S303K) | Descriptor: | ANNEXIN V, CALCIUM ION, SULFATE ION | Authors: | Mo, Y.D, Swairjo, M.A, Li, C.W, Head, J.F, Seaton, B.A. | Deposit date: | 1998-05-04 | Release date: | 1998-11-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Mutational and crystallographic analyses of interfacial residues in annexin V suggest direct interactions with phospholipid membrane components. Biochemistry, 37, 1998
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6U30
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![BU of 6u30 by Molmil](/molmil-images/mine/6u30) | The crystal structure of 4-pyridin-3-ylbenzoate-bound CYP199A4 | Descriptor: | 4-(pyridin-3-yl)benzoic acid, ACETATE ION, CHLORIDE ION, ... | Authors: | Podgorski, M.N, Bruning, J.B, Bell, S.G. | Deposit date: | 2019-08-21 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.655 Å) | Cite: | Biophysical Techniques for Distinguishing Ligand Binding Modes in Cytochrome P450 Monooxygenases. Biochemistry, 59, 2020
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7YML
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![BU of 7yml by Molmil](/molmil-images/mine/7yml) | Structure of photosynthetic LH1-RC super-complex of Rhodobacter capsulatus | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, BACTERIOCHLOROPHYLL A, ... | Authors: | Tani, K, Kanno, R, Ji, X.-C, Satoh, I, Kobayashi, Y, Nagashima, K.V.P, Hall, M, Yu, L.-J, Kimura, Y, Mizoguchi, A, Humbel, B.M, Madigan, M.T, Wang-Otomo, Z.-Y. | Deposit date: | 2022-07-28 | Release date: | 2023-02-22 | Last modified: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Rhodobacter capsulatus forms a compact crescent-shaped LH1-RC photocomplex. Nat Commun, 14, 2023
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7KCS
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![BU of 7kcs by Molmil](/molmil-images/mine/7kcs) | The crystal structure of 4-vinylbenzoate-bound wild-type CYP199A4 | Descriptor: | 4-ethenylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... | Authors: | Coleman, T, Bruning, J.B, Bell, S.G. | Deposit date: | 2020-10-07 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.773 Å) | Cite: | Understanding the Mechanistic Requirements for Efficient and Stereoselective Alkene Epoxidation by a Cytochrome P450 Enzyme Acs Catalysis, 11, 2021
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8IHY
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![BU of 8ihy by Molmil](/molmil-images/mine/8ihy) | X-ray crystal structure of Q387E mutant of endo-1,4-beta glucanase from Eisenia fetida | Descriptor: | CALCIUM ION, Endoglucanase, GLYCEROL, ... | Authors: | Kuroki, C, Hirano, Y, Nakazawa, M, Sakamoto, T, Tamada, T, Ueda, M. | Deposit date: | 2023-02-24 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A single mutation Asp43Arg was increased 2.5-fold the catalytic activity and maintained the stability of cold-adapted endo-1,4-beta glucanase (Ef-EG2) from Eisenia fetida. Curr Res Biotechnol, 5, 2023
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5IL5
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8BYO
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![BU of 8byo by Molmil](/molmil-images/mine/8byo) | fragment-linked stabilizer for ERa - 14-3-3 interaction (1074361) | Descriptor: | 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ... | Authors: | Visser, E.J, Vandenboorn, E.M.F, Ottmann, C. | Deposit date: | 2023-01-18 | Release date: | 2023-08-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking. Angew.Chem.Int.Ed.Engl., 62, 2023
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5XFM
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![BU of 5xfm by Molmil](/molmil-images/mine/5xfm) | Crystal structure of beta-arabinopyranosidase | Descriptor: | Alpha-glucosidase, CALCIUM ION | Authors: | Kato, K, Okuyama, M, Yao, M. | Deposit date: | 2017-04-10 | Release date: | 2018-02-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A novel glycoside hydrolase family 97 enzyme: Bifunctional beta-l-arabinopyranosidase/ alpha-galactosidase from Bacteroides thetaiotaomicron. Biochimie, 142, 2017
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8BZW
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![BU of 8bzw by Molmil](/molmil-images/mine/8bzw) | Co-soaked stabilizers for ERa - 14-3-3 interaction (844_AZ210) | Descriptor: | 14-3-3 protein sigma, 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, 4-[(2~{R})-3-azanyl-2-methyl-propyl]-7-methoxy-1-benzothiophene-2-carboximidamide, ... | Authors: | Visser, E.J, Sijbesma, E, Ottmann, C. | Deposit date: | 2022-12-15 | Release date: | 2023-08-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking. Angew.Chem.Int.Ed.Engl., 62, 2023
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