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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
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
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
7UEJ
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BU of 7uej by Molmil
horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 150 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
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
7UHW
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BU of 7uhw by Molmil
Horse liver alcohol dehydrogenase G173A, complexed with NAD+ and 2,3,4,5,6-pentafluorobenzyl alcohol at 120 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:2022-03-27
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 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
7UHX
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BU of 7uhx by Molmil
Horse liver alcohol dehydrogenase G173A, complexed with NAD+ and 2,3,4,5,6-pentafluorobenzyl alcohol at 150 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:2022-03-27
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 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
7UDD
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BU of 7udd by Molmil
Horse liver alcohol dehydrogenase complexed with NAD+ and 2,2,2-trifluoroethanol at 150 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:2022-04-06
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
7UHV
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BU of 7uhv by Molmil
Horse liver alcohol dehydrogenase G173A, complexed with NAD+ and 2,3,4,5,6-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:2022-03-27
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 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
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
3QE0
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BU of 3qe0 by Molmil
A Galpha-i1 P-loop mutation prevents transition to the activated state
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, KB752 peptide, ...
Authors:Bosch, D.E, Willard, F.S, Kimple, A.J, Miley, M.J, Siderovski, D.P.
Deposit date:2011-01-19
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:A P-loop Mutation in Galpha Subunits Prevents Transition to the Active State: Implications for G-protein Signaling in Fungal Pathogenesis
Plos Pathog., 8, 2012
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
2GW2
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BU of 2gw2 by Molmil
Crystal structure of the peptidyl-prolyl isomerase domain of human cyclophilin G
Descriptor: Peptidyl-prolyl cis-trans isomerase G, UNKNOWN ATOM OR ION
Authors:Bernstein, G, Tempel, W, Davis, T, Newman, E.M, Finerty Jr, P.J, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2006-05-03
Release date:2006-06-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and biochemical characterization of the human cyclophilin family of peptidyl-prolyl isomerases.
PLoS Biol., 8, 2010
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
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
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
2ESL
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BU of 2esl by Molmil
Human Cyclophilin C in Complex with Cyclosporin A
Descriptor: CALCIUM ION, CYCLOSPORIN A, Peptidyl-prolyl cis-trans isomerase C, ...
Authors:Walker, J.R, Davis, T, Newman, E.M, Finerty Jr, P.J, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2005-10-26
Release date:2005-12-13
Last modified:2018-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and biochemical characterization of the human cyclophilin family of peptidyl-prolyl isomerases.
PLoS Biol., 8, 2010
2HE9
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BU of 2he9 by Molmil
Structure of the peptidylprolyl isomerase domain of the human NK-tumour recognition protein
Descriptor: NK-tumor recognition protein, SULFATE ION
Authors:Walker, J.R, Davis, T, Newman, E.M, MacKenzie, F, Butler-Cole, C, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2006-06-21
Release date:2006-07-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and biochemical characterization of the human cyclophilin family of peptidyl-prolyl isomerases.
PLoS Biol., 8, 2010
2R99
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BU of 2r99 by Molmil
Crystal structure of cyclophilin ABH-like domain of human peptidylprolyl isomerase E isoform 1
Descriptor: Peptidyl-prolyl cis-trans isomerase E
Authors:Walker, J.R, Davis, T, Newman, E.M, Mackenzie, F, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2007-09-12
Release date:2007-09-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Structural and biochemical characterization of the human cyclophilin family of peptidyl-prolyl isomerases.
PLoS Biol., 8, 2010
5ZJM
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BU of 5zjm by Molmil
Crystal structure of N-acetylneuraminate lyase from Fusobacterium nucleatum
Descriptor: 1,2-ETHANEDIOL, N-acetylneuraminate lyase
Authors:Kumar, J.P, Rao, H, Nayak, V, Subramanian, R.
Deposit date:2018-03-21
Release date:2019-01-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.323 Å)
Cite:Crystal structures and kinetics of N-acetylneuraminate lyase from Fusobacterium nucleatum
Acta Crystallogr F Struct Biol Commun, 74, 2018
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
3QI2
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BU of 3qi2 by Molmil
A Galpha P-loop mutation prevents transition to the activated state: G42R bound to RGS14 GoLoco
Descriptor: GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Bosch, D.E, Willard, F.S, Kimple, A.J, Miley, M.J, Siderovski, D.P.
Deposit date:2011-01-26
Release date:2012-02-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.797 Å)
Cite:A P-loop Mutation in Galpha Subunits Prevents Transition to the Active State: Implications for G-protein Signaling in Fungal Pathogenesis
Plos Pathog., 8, 2012
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

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數據於2024-06-26公開中

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