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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
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
6MLR
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BU of 6mlr by Molmil
Cryo-EM structure of microtubule-bound Kif7 in the AMPPNP state
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF7, ...
Authors:Mani, N, Jiang, S, Wilson-Kubalek, E.M, Ku, P, Milligan, R.A, Subramanian, R.
Deposit date:2018-09-27
Release date:2019-05-01
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Interplay between the Kinesin and Tubulin Mechanochemical Cycles Underlies Microtubule Tip Tracking by the Non-motile Ciliary Kinesin Kif7.
Dev.Cell, 49, 2019
6MLQ
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BU of 6mlq by Molmil
Cryo-EM structure of microtubule-bound Kif7 in the ADP state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Mani, N, Jiang, S, Wilson-Kubalek, E.M, Ku, P, Milligan, R.A, Subramanian, R.
Deposit date:2018-09-27
Release date:2019-05-01
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Interplay between the Kinesin and Tubulin Mechanochemical Cycles Underlies Microtubule Tip Tracking by the Non-motile Ciliary Kinesin Kif7.
Dev.Cell, 49, 2019
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
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Dimethylformamidase with a Unique Iron Center
To Be Published
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
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
8THI
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BU of 8thi by Molmil
Cryo-EM structure of the Tripartite ATP-independent Periplasmic (TRAP) transporter SiaQM from Haemophilus influenzae (parallel dimer)
Descriptor: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, SODIUM ION, Sialic acid TRAP transporter permease protein SiaT
Authors:Davies, J.S, Currie, M.C, Dobson, R.C.J, North, R.A.
Deposit date:2023-07-16
Release date:2023-11-22
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:Structural and biophysical analysis of a Haemophilus influenzae tripartite ATP-independent periplasmic (TRAP) transporter.
Elife, 12, 2024
8THJ
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BU of 8thj by Molmil
Cryo-EM structure of the Tripartite ATP-independent Periplasmic (TRAP) transporter SiaQM from Haemophilus influenzae (antiparallel dimer)
Descriptor: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, PHOSPHATIDYLETHANOLAMINE, SODIUM ION, ...
Authors:Davies, J.S, Currie, M.C, Dobson, R.C.J, North, R.A.
Deposit date:2023-07-16
Release date:2023-11-22
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:Structural and biophysical analysis of a Haemophilus influenzae tripartite ATP-independent periplasmic (TRAP) transporter.
Elife, 12, 2024
7D75
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BU of 7d75 by Molmil
X-ray structure of a domain-swapped dimer of Monellin with YEDKG loop-1 mutant
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, SULFATE ION, ...
Authors:Manjula, R, Ramaswamy, S, Gosavi, S.
Deposit date:2020-10-03
Release date:2021-10-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Domain swapped structure of Monellin Loop1-mutant
To Be Published
7VWW
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BU of 7vww by Molmil
X-ray structure of a domain-swapped poly-glutamine Monellin mutant
Descriptor: DI(HYDROXYETHYL)ETHER, Monellin chain B,Monellin chain A
Authors:Manjula, R, Ramaswamy, S, Gosavi, S.
Deposit date:2021-11-12
Release date:2022-11-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Effect of polyQ on protein assembly
To Be Published
6XT2
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BU of 6xt2 by Molmil
EQADH-NADH-HEPTAFLUOROBUTANOL, P21
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2,2,3,3,4,4,4-heptafluorobutan-1-ol, ...
Authors:Plapp, B.V, Ramaswamy, S.
Deposit date:2020-07-16
Release date:2020-08-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Alternative binding modes in abortive NADH-alcohol complexes of horse liver alcohol dehydrogenase.
Arch.Biochem.Biophys., 701, 2021
6Q28
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BU of 6q28 by Molmil
Metal ROK rebel: Characterisation of N-acetylmannosamine kinase from the pathogen Staphylococcus aureus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetylmannosamine kinase
Authors:Coombes, D, Horne, C.R, Dobson, R.C.J.
Deposit date:2019-08-07
Release date:2020-01-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The basis for non-canonical ROK family function in theN-acetylmannosamine kinase from the pathogenStaphylococcus aureus.
J.Biol.Chem., 295, 2020
7Q02
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BU of 7q02 by Molmil
Zn-free structure of lipocalin-like Milk protein, inspired from Diploptera punctata, expressed in Saccharomyces cerevisiae
Descriptor: Milk protein, PALMITOLEIC ACID
Authors:Banerjee, S, Dhanabalan, K.V, Ramaswamy, S.
Deposit date:2021-10-14
Release date:2021-12-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure of recombinantly expressed cockroach Lili-Mip protein in glycosylated and deglycosylated forms.
Biochim Biophys Acta Gen Subj, 1866, 2022
3S2A
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BU of 3s2a by Molmil
Crystal structure of PI3K-gamma in complex with a quinoline inhibitor
Descriptor: N-{2-chloro-5-[4-(morpholin-4-yl)quinolin-6-yl]pyridin-3-yl}-4-fluorobenzenesulfonamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
Authors:Whittington, D.A, Tang, J, Yakowec, P.
Deposit date:2011-05-16
Release date:2011-06-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Phospshoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors: Discovery and Structure-Activity Relationships of a Series of Quinoline and Quinoxaline Derivatives.
J.Med.Chem., 54, 2011
6VVA
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BU of 6vva by Molmil
N-Acetylmannosamine-6-phosphate 2-epimerase from Staphylococcus aureus (strain MRSA USA300)
Descriptor: CHLORIDE ION, CITRIC ACID, N-acetylmannosamine-6-phosphate 2-epimerase
Authors:Renwick, R.C.J, Currie, M.J.
Deposit date:2020-02-17
Release date:2021-02-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:N-acetylmannosamine-6-phosphate 2-epimerase uses a novel substrate-assisted mechanism to catalyze amino sugar epimerization.
J.Biol.Chem., 297, 2021
7MFS
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BU of 7mfs by Molmil
N-Acetylmannosamine-6-phosphate 2-epimerase from Staphylococcus aureus (strain MRSA USA300) with substrate and product bound
Descriptor: CHLORIDE ION, N-acetyl-D-glucosamine-6-phosphate, N-acetylmannosamine-6-phosphate, ...
Authors:Currie, M.J, Dobson, R.C.J.
Deposit date:2021-04-11
Release date:2022-04-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:N-acetylmannosamine-6-phosphate 2-epimerase uses a novel substrate-assisted mechanism to catalyze amino sugar epimerization.
J.Biol.Chem., 297, 2021
7MFN
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BU of 7mfn by Molmil
N-Acetylmannosamine-6-phosphate 2-epimerase E180A from Staphylococcus aureus (strain MRSA USA300)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, CITRIC ACID, ...
Authors:Currie, M.J, Dobson, R.C.J.
Deposit date:2021-04-10
Release date:2022-04-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:N-acetylmannosamine-6-phosphate 2-epimerase uses a novel substrate-assisted mechanism to catalyze amino sugar epimerization.
J.Biol.Chem., 297, 2021
7MQT
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BU of 7mqt by Molmil
N-Acetylmannosamine-6-phosphate 2-epimerase from Staphylococcus aureus (strain MRSA USA300) with 5-deoxy substrate bound
Descriptor: 2-acetamido-2,5-dideoxy-6-O-phosphono-D-lyxo-hexose, CHLORIDE ION, CITRIC ACID, ...
Authors:Currie, M.J, Dobson, R.C.J.
Deposit date:2021-05-06
Release date:2022-04-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:N-acetylmannosamine-6-phosphate 2-epimerase uses a novel substrate-assisted mechanism to catalyze amino sugar epimerization.
J.Biol.Chem., 297, 2021
6LVV
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BU of 6lvv by Molmil
N, N-dimethylformamidase
Descriptor: 1,2-ETHANEDIOL, FE (III) ION, N,N-dimethylformamidase large subunit, ...
Authors:Arya, C.K, Ramaswamy, S, Kutti, R.V, Gurunath, R.
Deposit date:2020-02-05
Release date:2020-08-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (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
7O3K
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BU of 7o3k by Molmil
Structure of a monomeric variant (L135E) of Sandercyanin fluorescent protein bound to biliverdin IX-alpha
Descriptor: BILIVERDINE IX ALPHA, Sandercyanin Fluorescent Protein
Authors:Ghosh, S, Yadav, K, Ramaswamy, S.
Deposit date:2021-04-01
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Modulation of biliverdin dynamics and spectral properties by Sandercyanin.
Rsc Adv, 12, 2022
4F1S
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BU of 4f1s by Molmil
Crystal structure of human PI3K-gamma in complex with a pyridyl-triazine-sulfonamide inhibitor
Descriptor: N-(5-{[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(tetrahydro-2H-pyran-4-yl)pyridin-2-yl]amino}-2-chloropyridin-3-yl)methanesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
Authors:Whittington, D.A, Tang, J, Yakowec, P.
Deposit date:2012-05-07
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:Synthesis and structure-activity relationships of dual PI3K/mTOR inhibitors based on a 4-amino-6-methyl-1,3,5-triazine sulfonamide scaffold.
Bioorg.Med.Chem.Lett., 22, 2012
4FLH
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BU of 4flh by Molmil
Crystal structure of human PI3K-gamma in complex with AMG511
Descriptor: 4-(2-[(5-fluoro-6-methoxypyridin-3-yl)amino]-5-{(1R)-1-[4-(methylsulfonyl)piperazin-1-yl]ethyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
Authors:Whittington, D.A, Tang, J, Yakowec, P.
Deposit date:2012-06-14
Release date:2012-08-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Selective Class I Phosphoinositide 3-Kinase Inhibitors: Optimization of a Series of Pyridyltriazines Leading to the Identification of a Clinical Candidate, AMG 511.
J.Med.Chem., 55, 2012
6Q26
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BU of 6q26 by Molmil
N-Acetylmannosamine kinase from Staphylococcus aureus
Descriptor: Glucokinase
Authors:Coombes, D, North, R.A, Dobson, R.C.J.
Deposit date:2019-08-07
Release date:2020-01-22
Last modified:2020-03-18
Method:X-RAY DIFFRACTION (2.328 Å)
Cite:The basis for non-canonical ROK family function in theN-acetylmannosamine kinase from the pathogenStaphylococcus aureus.
J.Biol.Chem., 295, 2020

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