5INF
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![BU of 5inf by Molmil](/molmil-images/mine/5inf) | Structural basis for acyl-CoA carboxylase-mediated assembly of unusual polyketide synthase extender units incorporated into the stambomycin antibiotics | Descriptor: | Carboxyl transferase, HEXANOYL-COENZYME A | Authors: | Valentic, T.R, Ray, L, Miyazawa, T, Withall, D.M, Song, L, Osada, H, Tsai, S.C, Challis, G.L. | Deposit date: | 2016-03-07 | Release date: | 2016-12-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.751 Å) | Cite: | A crotonyl-CoA reductase-carboxylase independent pathway for assembly of unusual alkylmalonyl-CoA polyketide synthase extender units. Nat Commun, 7, 2016
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6BFS
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![BU of 6bfs by Molmil](/molmil-images/mine/6bfs) | The mechanism of GM-CSF inhibition by human GM-CSF auto-antibodies | Descriptor: | Fab Heavy Chain, Fab light Chain, Granulocyte-macrophage colony-stimulating factor | Authors: | Dhagat, U, Hercus, T.R, Broughton, S.E, Nero, T.L, Lopez, A.F, Parker, M.W. | Deposit date: | 2017-10-26 | Release date: | 2018-09-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The mechanism of GM-CSF inhibition by human GM-CSF auto-antibodies suggests novel therapeutic opportunities. MAbs, 10, 2018
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6ANX
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![BU of 6anx by Molmil](/molmil-images/mine/6anx) | Peroxide Activation Regulated by Hydrogen Bonds within Artificial Cu Proteins - WT (low exposure) | Descriptor: | ACETATE ION, SULFATE ION, Streptavidin, ... | Authors: | Mann, S.I, Heinisch, T, Ward, T.R, Borovik, A.S. | Deposit date: | 2017-08-14 | Release date: | 2017-11-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Peroxide Activation Regulated by Hydrogen Bonds within Artificial Cu Proteins. J. Am. Chem. Soc., 139, 2017
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6BBD
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![BU of 6bbd by Molmil](/molmil-images/mine/6bbd) | Structure of N-glycosylated porcine surfactant protein-D complexed with glycerol | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | Authors: | van Eijk, M, Rynkiewicz, M.J, Khatri, K, Leymarie, N, Zaia, J, White, M.R, Hartshorn, K.L, Cafarella, T.R, van Die, I, Hessing, M, Seaton, B.A, Haagsman, H.P. | Deposit date: | 2017-10-18 | Release date: | 2018-05-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.898 Å) | Cite: | Lectin-mediated binding and sialoglycans of porcine surfactant protein D synergistically neutralize influenza A virus. J. Biol. Chem., 293, 2018
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6BBE
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![BU of 6bbe by Molmil](/molmil-images/mine/6bbe) | Structure of N-glycosylated porcine surfactant protein-D | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | van Eijk, M, Rynkiewicz, M.J, Khatri, K, Leymarie, N, Zaia, J, White, M.R, Hartshorn, K.L, Cafarella, T.R, van Die, I, Hessing, M, Seaton, B.A, Haagsman, H.P. | Deposit date: | 2017-10-18 | Release date: | 2018-05-23 | Last modified: | 2021-03-24 | Method: | X-RAY DIFFRACTION (1.898 Å) | Cite: | Lectin-mediated binding and sialoglycans of porcine surfactant protein D synergistically neutralize influenza A virus. J. Biol. Chem., 293, 2018
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6CTH
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![BU of 6cth by Molmil](/molmil-images/mine/6cth) | Crystal Structure of Pathogenesis-related Protein 1G (PR-1G) Kinase Domain from Cacao | Descriptor: | ACETATE ION, Concanavalin A-like lectin protein kinase family protein, MAGNESIUM ION, ... | Authors: | Tosarini, T.R, Profeta, G.S, dos Reis, C.V, Counago, R.M, Massirer, K.B, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-03-23 | Release date: | 2018-04-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of Pathogenesis-related Protein 1G (PR-1G) Kinase Domain from Cacao To Be Published
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5K67
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![BU of 5k67 by Molmil](/molmil-images/mine/5k67) | Designed Artificial Cupredoxins | Descriptor: | GLYCEROL, Streptavidin, [CuII(biot-pr-dpea)]2+ | Authors: | Mann, S.I, Heinisch, T, Weitz, A.C, Hendrich, M.R, Ward, T.R, Borovik, A.S. | Deposit date: | 2016-05-24 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Modular Artificial Cupredoxins. J.Am.Chem.Soc., 138, 2016
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5K8C
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![BU of 5k8c by Molmil](/molmil-images/mine/5k8c) | X-ray structure of KdnB, 3-deoxy-alpha-D-manno-octulosonate 8-oxidase, from Shewanella oneidensis | Descriptor: | 1,2-ETHANEDIOL, 3-deoxy-alpha-D-manno-octulosonate 8-oxidase, CHLORIDE ION, ... | Authors: | Holden, H.M, Thoden, J.B, Zachman-Brockmeyer, T.R. | Deposit date: | 2016-05-28 | Release date: | 2016-06-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structures of KdnB and KdnA from Shewanella oneidensis: Key Enzymes in the Formation of 8-Amino-3,8-Dideoxy-d-Manno-Octulosonic Acid. Biochemistry, 55, 2016
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6BRQ
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![BU of 6brq by Molmil](/molmil-images/mine/6brq) | Crystal structure of rice ASK1-D3 ubiquitin ligase complex crystal form 3 | Descriptor: | F-box/LRR-repeat MAX2 homolog, SKP1-like protein 1A | Authors: | Shabek, N, Zheng, N, Mao, H, Hinds, T.R, Ticchiarelli, F, Leyser, O. | Deposit date: | 2017-11-30 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Structural plasticity of D3-D14 ubiquitin ligase in strigolactone signalling. Nature, 563, 2018
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5K8B
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![BU of 5k8b by Molmil](/molmil-images/mine/5k8b) | X-ray structure of KdnA, 8-amino-3,8-dideoxy-alpha-D-manno-octulosonate transaminase, from Shewanella oneidensis in the presence of the external aldimine with PLP and glutamate | Descriptor: | 8-amino-3,8-dideoxy-alpha-D-manno-octulosonate transaminase, CHLORIDE ION, N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-D-GLUTAMIC ACID, ... | Authors: | Holden, H.M, Thoden, J.B, Zachman-Brockmeyer, T.R. | Deposit date: | 2016-05-28 | Release date: | 2016-06-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structures of KdnB and KdnA from Shewanella oneidensis: Key Enzymes in the Formation of 8-Amino-3,8-Dideoxy-d-Manno-Octulosonic Acid. Biochemistry, 55, 2016
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2NQC
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![BU of 2nqc by Molmil](/molmil-images/mine/2nqc) | Crystal structure of ig-like domain 23 from human filamin C | Descriptor: | Filamin-C, GLYCEROL, IMIDAZOLE, ... | Authors: | Sjekloca, L, Pudas, R, Sjoeblom, B, Konarev, P, Carugo, O, Rybin, V, Kiema, T.R, Svergun, D, Ylanne, J, Djinovic-Carugo, K. | Deposit date: | 2006-10-31 | Release date: | 2007-09-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of human filamin C domain 23 and small angle scattering model for filamin C 23-24 dimer J.Mol.Biol., 368, 2007
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6D3F
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![BU of 6d3f by Molmil](/molmil-images/mine/6d3f) | Crystal Structure of the PTP epsilon D2 domain | Descriptor: | Receptor-type tyrosine-protein phosphatase epsilon | Authors: | Lountos, G.T, Raran-Kurussi, S, Zhao, B.M, Dyas, B.K, Austin, B.P, Burke Jr, T.R, Ulrich, R.G, Waugh, D.S. | Deposit date: | 2018-04-16 | Release date: | 2018-10-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.271 Å) | Cite: | High-resolution crystal structures of the D1 and D2 domains of protein tyrosine phosphatase epsilon for structure-based drug design. Acta Crystallogr D Struct Biol, 74, 2018
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8OJW
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![BU of 8ojw by Molmil](/molmil-images/mine/8ojw) | |
8OJX
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![BU of 8ojx by Molmil](/molmil-images/mine/8ojx) | Streptavidin S112YK121E artificial metalloenzyme for carboamination | Descriptor: | IRIDIUM ION, Streptavidin, trichloro{(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-[2-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]cyclopentadienyl}rhodium(1+) | Authors: | Igareta, N.V, Ward, T.R. | Deposit date: | 2023-03-25 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Streptavidin WT artificial metalloenzyme for carboamination To Be Published
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5K68
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![BU of 5k68 by Molmil](/molmil-images/mine/5k68) | Designed Artificial Cupredoxins | Descriptor: | Streptavidin, [CuII(biot-bu-dpea)]2+ | Authors: | Mann, S.I, Heinisch, T, Weitz, A.C, Hendrich, M.R, Ward, T.R, Borovik, A.S. | Deposit date: | 2016-05-24 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Modular Artificial Cupredoxins. J.Am.Chem.Soc., 138, 2016
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6BRP
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![BU of 6brp by Molmil](/molmil-images/mine/6brp) | F-box protein form 2 | Descriptor: | F-box/LRR-repeat MAX2 homolog, SKP1-like protein 1A | Authors: | Shabek, N, Zheng, N, Mao, H, Hinds, T.R, Ticchiarelli, F, Leyser, O. | Deposit date: | 2017-11-30 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structural plasticity of D3-D14 ubiquitin ligase in strigolactone signalling. Nature, 563, 2018
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6CGO
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![BU of 6cgo by Molmil](/molmil-images/mine/6cgo) | Molecular basis for condensation domain-mediated chain release from the enacyloxin polyketide synthase | Descriptor: | Condensation domain protein, PHOSPHATE ION | Authors: | Valentic, T.R, Tsai, S.C, Challis, G.L, Lewandowski, J.R, Kosol, S, Gallo, A, Griffiths, D, Masschelein, J.L, Jenner, M, De los Santos, E. | Deposit date: | 2018-02-20 | Release date: | 2019-02-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for chain release from the enacyloxin polyketide synthase. Nat.Chem., 11, 2019
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5ZAT
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![BU of 5zat by Molmil](/molmil-images/mine/5zat) | Crystal structure of 5-carboxylcytosine containing decamer dsDNA | Descriptor: | DNA (5'-D(*CP*CP*AP*GP*(CAC)P*GP*CP*TP*GP*G)-3') | Authors: | Fu, T.R, Zhang, L. | Deposit date: | 2018-02-08 | Release date: | 2019-02-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | Thymine DNA glycosylase recognizes the geometry alteration of minor grooves induced by 5-formylcytosine and 5-carboxylcytosine. Chem Sci, 10, 2019
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5L3Y
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![BU of 5l3y by Molmil](/molmil-images/mine/5l3y) | Designed Artificial Cupredoxins | Descriptor: | Streptavidin, [CuII(biot-et-dpea)]2+ | Authors: | Mann, S.I, Heinisch, T, Weitz, A.C, Hendrich, M.R, Ward, T.R, Borovik, A.S. | Deposit date: | 2016-05-24 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Modular Artificial Cupredoxins. J.Am.Chem.Soc., 138, 2016
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6BRT
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![BU of 6brt by Molmil](/molmil-images/mine/6brt) | F-box protein CTH with hydrolase | Descriptor: | (5R)-5-hydroxy-3-methylfuran-2(5H)-one, D3-CTH-D14-D-ring | Authors: | Shabek, N, Zheng, N, Mao, H, Hinds, T.R, Ticchiarelli, F, Leyser, O. | Deposit date: | 2017-12-01 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.393 Å) | Cite: | Structural plasticity of D3-D14 ubiquitin ligase in strigolactone signalling. Nature, 563, 2018
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8OJJ
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![BU of 8ojj by Molmil](/molmil-images/mine/8ojj) | Cryo-EM structure of the DnaD-NTD tetramer | Descriptor: | DNA replication protein DnaD | Authors: | Winterhalter, C, Pelliciari, S, Cronin, N, Costa, T.R.D, Murray, H, Ilangovan, A. | Deposit date: | 2023-03-24 | Release date: | 2023-05-17 | Last modified: | 2023-05-31 | Method: | ELECTRON MICROSCOPY (5.47 Å) | Cite: | The DNA replication initiation protein DnaD recognises a specific strand of the Bacillus subtilis chromosome origin. Nucleic Acids Res., 51, 2023
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6BFQ
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![BU of 6bfq by Molmil](/molmil-images/mine/6bfq) | The mechanism of GM-CSF inhibition by human GM-CSF auto-antibodies | Descriptor: | Fab Heavy chain, Fab Light Chain, Granulocyte-macrophage colony-stimulating factor | Authors: | Dhagat, U, Hercus, T.R, Broughton, S.E, Nero, T.L, Lopez, A.F, Parker, M.W. | Deposit date: | 2017-10-26 | Release date: | 2018-09-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The mechanism of GM-CSF inhibition by human GM-CSF auto-antibodies suggests novel therapeutic opportunities. MAbs, 10, 2018
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6D4F
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![BU of 6d4f by Molmil](/molmil-images/mine/6d4f) | Crystal structure of PTP epsilon D2 domain (A455N/V457Y/E597D) | Descriptor: | PENTAETHYLENE GLYCOL, Receptor-type tyrosine-protein phosphatase epsilon | Authors: | Lountos, G.T, Raran-Kurussi, S, Zhao, B.M, Dyas, B.K, Austin, B.P, Burke Jr, T.R, Ulrich, R.G, Waugh, D.S. | Deposit date: | 2018-04-18 | Release date: | 2018-10-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.909 Å) | Cite: | High-resolution crystal structures of the D1 and D2 domains of protein tyrosine phosphatase epsilon for structure-based drug design. Acta Crystallogr D Struct Biol, 74, 2018
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5IRA
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![BU of 5ira by Molmil](/molmil-images/mine/5ira) | Expanding Nature's Catalytic Repertoire -Directed Evolution of an Artificial Metalloenzyme for In Vivo Metathesis | Descriptor: | Artificial Metathesase, [1-[4-[[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]methyl]-2,6-dimethyl-phenyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium-2-yl]-bis(chloranyl)ruthenium | Authors: | Heinisch, T, Jeschek, M, Reuter, R, Trindler, C, Panke, S, Ward, T.R. | Deposit date: | 2016-03-12 | Release date: | 2016-08-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Directed evolution of artificial metalloenzymes for in vivo metathesis. Nature, 537, 2016
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5WBD
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![BU of 5wbd by Molmil](/molmil-images/mine/5wbd) | Peroxide Activation Regulated by Hydrogen Bonds within Artificial Cu Proteins - N49A | Descriptor: | ACETATE ION, Streptavidin, [N-(2-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}ethyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](hydroxy)copper | Authors: | Mann, S.I, Heinisch, T, Ward, T.R, Borovik, A.S. | Deposit date: | 2017-06-28 | Release date: | 2017-11-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Peroxide Activation Regulated by Hydrogen Bonds within Artificial Cu Proteins. J. Am. Chem. Soc., 139, 2017
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