6LAY
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6LVE
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![BU of 6lve by Molmil](/molmil-images/mine/6lve) | Structure of Dimethylformamidase, tetramer, E521A mutant | Descriptor: | N,N-dimethylformamidase large subunit, N,N-dimethylformamidase small subunit | Authors: | Arya, C.A, Yadav, S, Fine, J, Casanal, A, Chopra, G, Ramanathan, G, Subramanian, R, Vinothkumar, K.R. | Deposit date: | 2020-02-02 | Release date: | 2020-06-03 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | A 2-Tyr-1-carboxylate Mononuclear Iron Center Forms the Active Site of a Paracoccus Dimethylformamidase. Angew.Chem.Int.Ed.Engl., 59, 2020
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6LVC
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![BU of 6lvc by Molmil](/molmil-images/mine/6lvc) | Structure of Dimethylformamidase, dimer | Descriptor: | FE (III) ION, N,N-dimethylformamidase large subunit, N,N-dimethylformamidase small subunit | Authors: | Arya, C.A, Yadav, S, Fine, J, Casanal, A, Chopra, G, Ramanathan, G, Subramanian, R, Vinothkumar, K.R. | Deposit date: | 2020-02-02 | Release date: | 2020-06-03 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | A 2-Tyr-1-carboxylate Mononuclear Iron Center Forms the Active Site of a Paracoccus Dimethylformamidase. Angew.Chem.Int.Ed.Engl., 59, 2020
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6LVB
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![BU of 6lvb by Molmil](/molmil-images/mine/6lvb) | Structure of Dimethylformamidase, tetramer | Descriptor: | FE (III) ION, N,N-dimethylformamidase large subunit, N,N-dimethylformamidase small subunit | Authors: | Arya, C.A, Yadav, S, Fine, J, Casanal, A, Chopra, G, Ramanathan, G, Subramanian, R, Vinothkumar, K.R. | Deposit date: | 2020-02-02 | Release date: | 2020-06-03 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | A 2-Tyr-1-carboxylate Mononuclear Iron Center Forms the Active Site of a Paracoccus Dimethylformamidase. Angew.Chem.Int.Ed.Engl., 59, 2020
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5ZA4
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5ZNH
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![BU of 5znh by Molmil](/molmil-images/mine/5znh) | Catechol 2,3-dioxygenase with 4-methyl catechol from Diaphorobacter sp DS2 | Descriptor: | 1,2-ETHANEDIOL, 4-METHYLCATECHOL, CALCIUM ION, ... | Authors: | Mishra, K, Arya, C.K, Subramaniyan, R, Ramanathan, G. | Deposit date: | 2018-04-09 | Release date: | 2019-04-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | catechol 2,3-dioxygenase with 4-methyl catechol from Diaphorobacter sp DS2 To Be Published
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5ZSX
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![BU of 5zsx by Molmil](/molmil-images/mine/5zsx) | Catechol 2,3-dioxygenase with 3-fluorocatechol from Diaphorobacter sp DS2 | Descriptor: | 1,2-ETHANEDIOL, 3-FLUOROBENZENE-1,2-DIOL, CALCIUM ION, ... | Authors: | Mishra, K, Arya, C.K, Subramanian, R, Ramanathan, G. | Deposit date: | 2018-04-30 | Release date: | 2019-06-12 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Catechol 2,3-dioxygenase with 3-fluorocatechol from Diaphorobacter sp DS2. To Be Published
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5ZSZ
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![BU of 5zsz by Molmil](/molmil-images/mine/5zsz) | Catechol 2,3-dioxygenase (C23O64) from Diaphorobacter sp DS2 | Descriptor: | CALCIUM ION, Catechol 2,3-dioxygenase, Extradiol ring cleavage protein, ... | Authors: | Mishra, K, Arya, C.K, Subramanian, R, Ramanathan, G. | Deposit date: | 2018-04-30 | Release date: | 2019-05-22 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Catechol 2,3-dioxygenase (C23O64) from Diaphorobacter sp DS2 To Be Published
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7W8J
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![BU of 7w8j by Molmil](/molmil-images/mine/7w8j) | Dimethylformamidase, 2x(A2B2) | Descriptor: | FE (III) ION, N,N-dimethylformamidase large subunit, N,N-dimethylformamidase small subunit | Authors: | Vinothkumar, K.R, Subramanian, R, Arya, C, Ramanathan, G. | Deposit date: | 2021-12-07 | Release date: | 2022-04-06 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Dimethylformamidase with a Unique Iron Center To Be Published
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5KQF
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![BU of 5kqf by Molmil](/molmil-images/mine/5kqf) | (4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine (compound 12) bound to BACE1 | Descriptor: | (4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine, Beta-secretase 1 | Authors: | Lewis, H.A, Wu, Y.J, Rajamani, R, Thompson, L.A. | Deposit date: | 2016-07-06 | Release date: | 2016-09-07 | Last modified: | 2016-10-05 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Discovery of S3-Truncated, C-6 Heteroaryl Substituted Aminothiazine beta-Site APP Cleaving Enzyme-1 (BACE1) Inhibitors. J.Med.Chem., 59, 2016
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5KR8
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![BU of 5kr8 by Molmil](/molmil-images/mine/5kr8) | (4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (compound 5) bound to BACE1 | Descriptor: | (4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine, Beta-secretase 1, IODIDE ION | Authors: | Lewis, H.A, Wu, Y.J, Rajamani, R, Thompson, L.A. | Deposit date: | 2016-07-07 | Release date: | 2016-09-07 | Last modified: | 2016-10-05 | Method: | X-RAY DIFFRACTION (2.118 Å) | Cite: | Discovery of S3-Truncated, C-6 Heteroaryl Substituted Aminothiazine beta-Site APP Cleaving Enzyme-1 (BACE1) Inhibitors. J.Med.Chem., 59, 2016
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6IFD
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6IFI
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6JOV
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6LVD
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![BU of 6lvd by Molmil](/molmil-images/mine/6lvd) | Structure of Dimethylformamidase, tetramer, Y440A mutant | Descriptor: | N,N-dimethylformamidase large subunit, N,N-dimethylformamidase small subunit | Authors: | Arya, C.A, Yadav, S, Fine, J, Casanal, A, Chopra, G, Ramanathan, G, Subramanian, R, Vinothkumar, K.R. | Deposit date: | 2020-02-02 | Release date: | 2020-06-03 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | A 2-Tyr-1-carboxylate Mononuclear Iron Center Forms the Active Site of a Paracoccus Dimethylformamidase. Angew.Chem.Int.Ed.Engl., 59, 2020
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7VNL
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![BU of 7vnl by Molmil](/molmil-images/mine/7vnl) | Sandercyanin mutant-F55A-Biliverdin complex | Descriptor: | BILIVERDINE IX ALPHA, Sandercyanin Fluorescent Protein, TETRAETHYLENE GLYCOL | Authors: | Yadav, K, Ghosh, S, Subramanian, R. | Deposit date: | 2021-10-11 | Release date: | 2022-05-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Phenylalanine stacking enhances the red fluorescence of biliverdin IX alpha on UV excitation in sandercyanin fluorescent protein. Febs Lett., 596, 2022
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7VNS
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![BU of 7vns by Molmil](/molmil-images/mine/7vns) | Sandercyanin mutant E79A-Biliverdin complex | Descriptor: | BILIVERDINE IX ALPHA, Sandercyanin Fluorescent Protein | Authors: | Yadav, K, Ghosh, S, Subramanian, R. | Deposit date: | 2021-10-12 | Release date: | 2022-05-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Phenylalanine stacking enhances the red fluorescence of biliverdin IX alpha on UV excitation in sandercyanin fluorescent protein. Febs Lett., 596, 2022
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7BKX
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![BU of 7bkx by Molmil](/molmil-images/mine/7bkx) | Diploptera punctata inspired lipocalin-like Milk protein expressed in Saccharomyces cerevisiae | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Banerjee, S, Kanagavijayan, D, Subramanian, R, Santhakumari, P.R, Chavas, L.M.G, Ramaswamy, S. | Deposit date: | 2021-01-17 | Release date: | 2021-12-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure of recombinantly expressed cockroach Lili-Mip protein in glycosylated and deglycosylated forms. Biochim Biophys Acta Gen Subj, 1866, 2022
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1IHB
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![BU of 1ihb by Molmil](/molmil-images/mine/1ihb) | CRYSTAL STRUCTURE OF P18-INK4C(INK6) | Descriptor: | CYCLIN-DEPENDENT KINASE 6 INHIBITOR | Authors: | Ravichandran, V, Swaminathan, K, Marmorstein, R. | Deposit date: | 1997-10-25 | Release date: | 1998-12-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of the CDK4/6 inhibitory protein p18INK4c provides insights into ankyrin-like repeat structure/function and tumor-derived p16INK4 mutations. Nat.Struct.Biol., 5, 1998
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4GMX
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6QTJ
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![BU of 6qtj by Molmil](/molmil-images/mine/6qtj) | Crystal structure of human CDK8/CYCC in complex with BI 919811 | Descriptor: | Cyclin-C, Cyclin-dependent kinase 8, ~{N},~{N}-dimethyl-2-[4-[4-(2,6-naphthyridin-4-yl)phenyl]pyrazol-1-yl]ethanamide | Authors: | Boettcher, J. | Deposit date: | 2019-02-25 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Selective and Potent CDK8/19 Inhibitors Enhance NK-Cell Activity and Promote Tumor Surveillance. Mol.Cancer Ther., 19, 2020
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6QTG
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![BU of 6qtg by Molmil](/molmil-images/mine/6qtg) | Crystal structure of human CDK8/CYCC in complex with BI-1347 | Descriptor: | 2-[4-(4-isoquinolin-4-ylphenyl)pyrazol-1-yl]-~{N},~{N}-dimethyl-ethanamide, Cyclin-C, Cyclin-dependent kinase 8 | Authors: | Boettcher, J. | Deposit date: | 2019-02-25 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Selective and Potent CDK8/19 Inhibitors Enhance NK-Cell Activity and Promote Tumor Surveillance. Mol.Cancer Ther., 19, 2020
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6R3S
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![BU of 6r3s by Molmil](/molmil-images/mine/6r3s) | CRYSTAL STRUCTURE OF CDK8-CycC IN COMPLEX WITH COMPOUND 1 | Descriptor: | 1,2-ETHANEDIOL, 6-[5-chloranyl-4-[(1~{S})-1-oxidanylethyl]pyridin-3-yl]-3,4-dihydro-2~{H}-1,8-naphthyridine-1-carboxamide, Cyclin-C, ... | Authors: | Boettcher, J. | Deposit date: | 2019-03-21 | Release date: | 2020-04-08 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Selective and Potent CDK8/19 Inhibitors Enhance NK-Cell Activity and Promote Tumor Surveillance. Mol.Cancer Ther., 19, 2020
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2KAD
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![BU of 2kad by Molmil](/molmil-images/mine/2kad) | Magic-Angle-Spinning Solid-State NMR Structure of Influenza A M2 Transmembrane Domain | Descriptor: | (3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine, Transmembrane peptide of Matrix protein 2 | Authors: | Hong, M, Cady, S.D, Mishanina, T.V. | Deposit date: | 2008-11-04 | Release date: | 2008-11-18 | Last modified: | 2024-05-22 | Method: | SOLID-STATE NMR | Cite: | Structure of amantadine-bound M2 transmembrane peptide of influenza A in lipid bilayers from magic-angle-spinning solid-state NMR: the role of Ser31 in amantadine binding. J.Mol.Biol., 385, 2009
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7D5L
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![BU of 7d5l by Molmil](/molmil-images/mine/7d5l) | Discovery of BMS-986144, a Third Generation, Pan Genotype NS3/4A Protease Inhibitor for the Treatment of Hepatitis C Virus Infection | Descriptor: | NS3/4A Protease, ZINC ION, [1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl] ~{N}-[(1~{S},4~{R},6~{S},7~{Z},11~{R},13~{R},14~{S},18~{R})-13-ethyl-18-(7-fluoranyl-6-methoxy-isoquinolin-1-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-bis(oxidanylidene)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate | Authors: | Ghosh, K, Anumula, R, Kumar, A. | Deposit date: | 2020-09-26 | Release date: | 2020-12-16 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of BMS-986144, a Third-Generation, Pan-Genotype NS3/4A Protease Inhibitor for the Treatment of Hepatitis C Virus Infection. J.Med.Chem., 63, 2020
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