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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
5ZJB
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BU of 5zjb by Molmil
Structure of N-acetylmannosamine-6-phosphate-2-epimerase from Vibrio cholerae
Descriptor: DI(HYDROXYETHYL)ETHER, MALONATE ION, Putative N-acetylmannosamine-6-phosphate 2-epimerase
Authors:Manjunath, L, Guntupalli, S.
Deposit date:2018-03-19
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.699 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
5ZKN
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BU of 5zkn by Molmil
Structure of N-acetylmannosamine-6-phosphate 2-epimerase from Fusobacterium nucleatum
Descriptor: CHLORIDE ION, Putative N-acetylmannosamine-6-phosphate 2-epimerase
Authors:Manjunath, L.
Deposit date:2018-03-24
Release date:2018-09-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.205 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
3QJZ
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BU of 3qjz by Molmil
Crystal structure of PI3K-gamma in complex with benzothiazole 1
Descriptor: N-{6-[2-(methylsulfanyl)pyrimidin-4-yl]-1,3-benzothiazol-2-yl}acetamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
Authors:Whittington, D.A, Tang, J, Yakowec, P.
Deposit date:2011-01-31
Release date:2011-03-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery and Optimization of a Series of Benzothiazole Phosphoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors.
J.Med.Chem., 54, 2011
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
3QK0
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BU of 3qk0 by Molmil
Crystal structure of PI3K-gamma in complex with benzothiazole 82
Descriptor: N-[6-(6-chloro-5-{[(4-fluorophenyl)sulfonyl]amino}pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
Authors:Whittington, D.A, Tang, J, Yakowec, P.
Deposit date:2011-01-31
Release date:2011-03-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Discovery and Optimization of a Series of Benzothiazole Phosphoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors.
J.Med.Chem., 54, 2011
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
6Q27
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BU of 6q27 by Molmil
N-acetylmannosamine kinase with N-acetylmannosamine from Staphylococcus aureus
Descriptor: 2-acetamido-2-deoxy-alpha-D-mannopyranose, Glucokinase
Authors:Coombes, D, Horne, C.R, Davies, J.S, 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
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
4DK5
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BU of 4dk5 by Molmil
Crystal structure of human PI3K-gamma in complex with a pyridyl-triazine inhibitor
Descriptor: 4-(2-[(6-methoxypyridin-3-yl)amino]-5-{[4-(methylsulfonyl)piperazin-1-yl]methyl}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:2012-02-03
Release date:2012-05-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structure-based design of a novel series of potent, selective inhibitors of the class I phosphatidylinositol 3-kinases.
J.Med.Chem., 55, 2012
6B8F
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BU of 6b8f by Molmil
Contracted Human Heavy-Chain Ferritin Crystal-Hydrogel Hybrid
Descriptor: CALCIUM ION, FE (III) ION, Ferritin heavy chain
Authors:Zhang, L, Bailey, J.B, Subramanian, R, Tezcan, F.A.
Deposit date:2017-10-07
Release date:2018-05-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Hyperexpandable, self-healing macromolecular crystals with integrated polymer networks.
Nature, 557, 2018
6B8G
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BU of 6b8g by Molmil
Twice-Contracted Human Heavy-Chain Ferritin Crystal-Hydrogel Hybrid
Descriptor: CALCIUM ION, FE (III) ION, Ferritin heavy chain
Authors:Zhang, L, Bailey, J.B, Subramanian, R, Tezcan, F.A.
Deposit date:2017-10-07
Release date:2018-05-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Hyperexpandable, self-healing macromolecular crystals with integrated polymer networks.
Nature, 557, 2018
6JKU
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BU of 6jku by Molmil
Crystal structure of N-acetylglucosamine-6-phosphate deacetylase from Pasteurella Multocida
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, N-acetylglucosamine-6-phosphate deacetylase, ...
Authors:Manjunath, L, Bose, S, Subramanian, R.
Deposit date:2019-03-01
Release date:2020-03-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Quaternary variations in the structural assembly of N-acetylglucosamine-6-phosphate deacetylase from Pasteurella multocida.
Proteins, 2020
7JQA
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BU of 7jqa by Molmil
EQADH-NADH-4-BROMOBENZYL ALCOHOL, P21
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase E chain, ...
Authors:Plapp, B.V, Ramaswamy, S.
Deposit date:2020-08-10
Release date:2020-08-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Alternative binding modes in abortive NADH-alcohol complexes of horse liver alcohol dehydrogenase.
Arch.Biochem.Biophys., 701, 2021
7K35
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BU of 7k35 by Molmil
EQADH-NADH-4-METHYLBENZYL ALCOHOL, p21
Descriptor: (4-methylphenyl)methanol, (4R)-2-METHYLPENTANE-2,4-DIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
Authors:Plapp, B.V, Ramaswamy, S.
Deposit date:2020-09-10
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Alternative binding modes in abortive NADH-alcohol complexes of horse liver alcohol dehydrogenase.
Arch.Biochem.Biophys., 701, 2021
7UA6
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BU of 7ua6 by Molmil
Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 25K
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, Alcohol dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), ...
Authors:Plapp, B.V, Gakhar, L.
Deposit date:2022-03-11
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
7UDE
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BU of 7ude by Molmil
Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 125 K
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, Alcohol dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), ...
Authors:Plapp, B.V, Gakhar, L.
Deposit date:2022-03-18
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
7UEE
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BU of 7uee by Molmil
Horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 75 K
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ...
Authors:Plapp, B.V, Gakhar, L.
Deposit date:2022-03-21
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
7UDR
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BU of 7udr by Molmil
Horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 25 K
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ...
Authors:Plapp, B.V, Gakhar, L.
Deposit date:2022-03-20
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
7UEC
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BU of 7uec by Molmil
Horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 50 K
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ...
Authors:Plapp, B.V, Gakhar, L.
Deposit date:2022-03-21
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
7UC9
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BU of 7uc9 by Molmil
Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 45 K
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, Alcohol dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), ...
Authors:Plapp, B.V, Gakhar, L.
Deposit date:2022-03-16
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
7UCA
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BU of 7uca by Molmil
Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 65 K
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, Alcohol dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), ...
Authors:Plapp, B.V, Gakhar, L.
Deposit date:2022-03-16
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
7UEF
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BU of 7uef by Molmil
Horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 85 K
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ...
Authors:Plapp, B.V, Gakhar, L.
Deposit date:2022-03-21
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
7UEI
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BU of 7uei by Molmil
Horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 100 K, 1.2 A, crystal 16
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ...
Authors:Plapp, B.V, Gakhar, L.
Deposit date:2022-03-21
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
7UCU
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BU of 7ucu by Molmil
Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 85K
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, Alcohol dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), ...
Authors:Plapp, B.V, Gakhar, L.
Deposit date:2022-03-17
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022

221051

數據於2024-06-12公開中

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