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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
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
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: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
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
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
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
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
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
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
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
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
7O2Y
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BU of 7o2y by Molmil
Sandercyanin Fluorescent Protein variant V71E bound to biliverdin IX-alpha
Descriptor: BILIVERDINE IX ALPHA, Sandercyanin Fluorescent Protein
Authors:Ghosh, S, Yadav, K, Ramaswamy, S.
Deposit date:2021-03-31
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Modulation of biliverdin dynamics and spectral properties by Sandercyanin.
Rsc Adv, 12, 2022
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
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
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
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
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
5KJ1
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BU of 5kj1 by Molmil
G173A horse liver alcohol dehydrogenase complexed with NAD+ and pentafluorobenzyl alcohol
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ...
Authors:Plapp, B.V.
Deposit date:2016-06-17
Release date:2016-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Dependence of crystallographic atomic displacement parameters on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenase.
Acta Crystallogr D Struct Biol, 78, 2022
5ZJP
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BU of 5zjp by Molmil
Structure of N-acetylmannosamine-6-phosphate-2-epimerase from Vibrio cholerae with N-acetylglucosamine-6-phosphate
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-acetyl-D-glucosamine-6-phosphate, ...
Authors:Manjunath, L, Guntupalli, S.R.
Deposit date:2018-03-21
Release date:2018-12-05
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Crystal structures and kinetic analyses of N-acetylmannosamine-6-phosphate 2-epimerases from Fusobacterium nucleatum and Vibrio cholerae
Acta Crystallogr F Struct Biol Commun, 74, 2018
5ZJN
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BU of 5zjn by Molmil
Structure of N-acetylmannosamine-6-phosphate-2-epimerase from Vibrio cholerae with N-acetylmannosamine-6-phosphate
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-acetylmannosamine-6-phosphate, ...
Authors:Manjunath, L, Guntupalli, S.
Deposit date:2018-03-21
Release date:2018-09-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Crystal structures and kinetic analyses of N-acetylmannosamine-6-phosphate 2-epimerases from Fusobacterium nucleatum and Vibrio cholerae
Acta Crystallogr F Struct Biol Commun, 74, 2018

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