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6LVB
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BU of 6lvb by Molmil
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
6LAY
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BU of 6lay by Molmil
Domain-swapped dimer structure of a Single-chain Monellin loop1-delta4-QVVAG mutant
Descriptor: Monellin chain B,Monellin chain A
Authors:Manjula, R, Subramanian, R, Gosavi, S.
Deposit date:2019-11-13
Release date:2021-05-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:Domain-swapped dimer structure of a Single-chain Monellin loop1-delta4-QVVAG mutant
To Be Published
6IFD
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BU of 6ifd by Molmil
Crystal Structure of CMP-N-acetylneuraminate Synthetase from Vibrio cholerae in complex with CDP and Mg2+.
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CMP-N-acetylneuraminate Synthetase, ...
Authors:Bose, S, Subramanian, R.
Deposit date:2018-09-19
Release date:2019-07-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and functional characterization of CMP-N-acetylneuraminate synthetase from Vibrio cholerae.
Acta Crystallogr D Struct Biol, 75, 2019
6IFI
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BU of 6ifi by Molmil
Crystal Structure of the Apo form of CMP-N-acetylneuraminate Synthetase from Vibrio cholerae
Descriptor: CALCIUM ION, CMP-N-acetylneuraminate Synthetase
Authors:Bose, S, Subramanian, R.
Deposit date:2018-09-20
Release date:2019-07-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and functional characterization of CMP-N-acetylneuraminate synthetase from Vibrio cholerae.
Acta Crystallogr D Struct Biol, 75, 2019
6JOV
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BU of 6jov by Molmil
Crystal structure of a hypothetical Fe Superoxide dismutase
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, FE (III) ION, ...
Authors:Bose, S, Purushothaman, S.S, Subramanian, R.
Deposit date:2019-03-23
Release date:2020-01-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.941 Å)
Cite:Crystal structure of a hypothetical Fe Superoxide dismutase
To Be Published
7W8J
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BU of 7w8j by Molmil
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
7VNL
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BU of 7vnl by Molmil
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:2024-10-30
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
7VNS
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BU of 7vns by Molmil
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
5KQF
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BU of 5kqf by Molmil
(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:2024-10-23
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
5KR8
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BU of 5kr8 by Molmil
(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:2024-10-16
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
7BKX
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BU of 7bkx by Molmil
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:2024-10-16
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
6LVE
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BU of 6lve by Molmil
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
6LVC
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BU of 6lvc by Molmil
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
5ZSX
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BU of 5zsx by Molmil
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
5ZSZ
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BU of 5zsz by Molmil
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
6LVD
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BU of 6lvd by Molmil
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
5ZA4
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BU of 5za4 by Molmil
Crystal structure of Sialic acid Binding protein from Haemophilus ducreyi
Descriptor: Putative ABC transporter periplasmic binding protein
Authors:Setty, T.G, Subramanian, R.
Deposit date:2018-02-06
Release date:2018-10-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.193 Å)
Cite:Molecular characterization of the interaction of sialic acid with the periplasmic binding protein fromHaemophilus ducreyi.
J. Biol. Chem., 293, 2018
5ZNH
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BU of 5znh by Molmil
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
1IHB
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BU of 1ihb by Molmil
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
6QTJ
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BU of 6qtj by Molmil
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
6QTG
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BU of 6qtg by Molmil
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
6R3S
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BU of 6r3s by Molmil
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
4GMX
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BU of 4gmx by Molmil
Crystal structure of KPT185 in complex with CRM1-Ran-RanBP1
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Exportin-1, ...
Authors:Sun, Q, Chook, Y.M.
Deposit date:2012-08-16
Release date:2012-10-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Selective inhibitors of nuclear export show that CRM1/XPO1 is a target in chronic lymphocytic leukemia.
Blood, 120, 2012
2KAD
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BU of 2kad by Molmil
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
7XNZ
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BU of 7xnz by Molmil
Native cystathionine beta-synthase of Mycobacterium tuberculosis.
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Putative cystathionine beta-synthase Rv1077
Authors:Bandyopadhyay, P, Pramanick, I, Biswas, R, Sabarinath, P.S, Sreedharan, S, Singh, S, Rajmani, R, Laxman, S, Dutta, S, Singh, A.
Deposit date:2022-04-30
Release date:2022-05-25
Last modified:2022-12-07
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:S-Adenosylmethionine-responsive cystathionine beta-synthase modulates sulfur metabolism and redox balance in Mycobacterium tuberculosis.
Sci Adv, 8, 2022

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