3QJZ
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![BU of 3qjz by Molmil](/molmil-images/mine/3qjz) | Crystal structure of PI3K-gamma in complex with benzothiazole 1 | 分子名称: | 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 | 著者 | Whittington, D.A, Tang, J, Yakowec, P. | 登録日 | 2011-01-31 | 公開日 | 2011-03-30 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | 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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6B8F
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![BU of 6b8f by Molmil](/molmil-images/mine/6b8f) | Contracted Human Heavy-Chain Ferritin Crystal-Hydrogel Hybrid | 分子名称: | CALCIUM ION, FE (III) ION, Ferritin heavy chain | 著者 | Zhang, L, Bailey, J.B, Subramanian, R, Tezcan, F.A. | 登録日 | 2017-10-07 | 公開日 | 2018-05-02 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | 主引用文献 | Hyperexpandable, self-healing macromolecular crystals with integrated polymer networks. Nature, 557, 2018
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6B8G
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![BU of 6b8g by Molmil](/molmil-images/mine/6b8g) | Twice-Contracted Human Heavy-Chain Ferritin Crystal-Hydrogel Hybrid | 分子名称: | CALCIUM ION, FE (III) ION, Ferritin heavy chain | 著者 | Zhang, L, Bailey, J.B, Subramanian, R, Tezcan, F.A. | 登録日 | 2017-10-07 | 公開日 | 2018-05-02 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | 主引用文献 | Hyperexpandable, self-healing macromolecular crystals with integrated polymer networks. Nature, 557, 2018
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7JQA
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![BU of 7jqa by Molmil](/molmil-images/mine/7jqa) | EQADH-NADH-4-BROMOBENZYL ALCOHOL, P21 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase E chain, ... | 著者 | Plapp, B.V, Ramaswamy, S. | 登録日 | 2020-08-10 | 公開日 | 2020-08-19 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Alternative binding modes in abortive NADH-alcohol complexes of horse liver alcohol dehydrogenase. Arch.Biochem.Biophys., 701, 2021
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7K35
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![BU of 7k35 by Molmil](/molmil-images/mine/7k35) | EQADH-NADH-4-METHYLBENZYL ALCOHOL, p21 | 分子名称: | (4-methylphenyl)methanol, (4R)-2-METHYLPENTANE-2,4-DIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | 著者 | Plapp, B.V, Ramaswamy, S. | 登録日 | 2020-09-10 | 公開日 | 2020-09-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Alternative binding modes in abortive NADH-alcohol complexes of horse liver alcohol dehydrogenase. Arch.Biochem.Biophys., 701, 2021
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5KJ1
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![BU of 5kj1 by Molmil](/molmil-images/mine/5kj1) | G173A horse liver alcohol dehydrogenase complexed with NAD+ and pentafluorobenzyl alcohol | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ... | 著者 | Plapp, B.V. | 登録日 | 2016-06-17 | 公開日 | 2016-07-06 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | 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
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4FLH
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![BU of 4flh by Molmil](/molmil-images/mine/4flh) | Crystal structure of human PI3K-gamma in complex with AMG511 | 分子名称: | 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 | 著者 | Whittington, D.A, Tang, J, Yakowec, P. | 登録日 | 2012-06-14 | 公開日 | 2012-08-29 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | 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
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4F1S
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![BU of 4f1s by Molmil](/molmil-images/mine/4f1s) | Crystal structure of human PI3K-gamma in complex with a pyridyl-triazine-sulfonamide inhibitor | 分子名称: | 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 | 著者 | Whittington, D.A, Tang, J, Yakowec, P. | 登録日 | 2012-05-07 | 公開日 | 2012-08-08 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | 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
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5F6Z
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![BU of 5f6z by Molmil](/molmil-images/mine/5f6z) | Sandercyanin Fluorescent Protein purified from Sander vitreus | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, Sandercyanin Fluorescent Protein | 著者 | Ghosh, S, Yu, C.L, Ferraro, D, Sudha, S, Pal, S, Schaefer, W, Gibson, D.T, Subramanian, R. | 登録日 | 2015-12-07 | 公開日 | 2016-09-28 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.248 Å) | 主引用文献 | Blue protein with red fluorescence Proc.Natl.Acad.Sci.USA, 113, 2016
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7VWW
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4DK5
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![BU of 4dk5 by Molmil](/molmil-images/mine/4dk5) | Crystal structure of human PI3K-gamma in complex with a pyridyl-triazine inhibitor | 分子名称: | 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 | 著者 | Whittington, D.A, Tang, J, Yakowec, P. | 登録日 | 2012-02-03 | 公開日 | 2012-05-16 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Structure-based design of a novel series of potent, selective inhibitors of the class I phosphatidylinositol 3-kinases. J.Med.Chem., 55, 2012
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8G4V
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![BU of 8g4v by Molmil](/molmil-images/mine/8g4v) | Horse liver alcohol dehydrogense His-51-Gln form complexed with NAD+ and 2,3,4,5,6-pentafluorobenzyl alcohol | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ... | 著者 | Plapp, B.V, Subramanian, R. | 登録日 | 2023-02-10 | 公開日 | 2023-02-22 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Histidine-51 facilitates deprotonation of the zinc-bound ligand during catalysis by horse liver alcohol dehydrogenase To Be Published
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6JKU
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![BU of 6jku by Molmil](/molmil-images/mine/6jku) | Crystal structure of N-acetylglucosamine-6-phosphate deacetylase from Pasteurella Multocida | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, N-acetylglucosamine-6-phosphate deacetylase, ... | 著者 | Manjunath, L, Bose, S, Subramanian, R. | 登録日 | 2019-03-01 | 公開日 | 2020-03-04 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Quaternary variations in the structural assembly of N-acetylglucosamine-6-phosphate deacetylase from Pasteurella multocida. Proteins, 2020
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5ZJP
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![BU of 5zjp by Molmil](/molmil-images/mine/5zjp) | |
5ZJN
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![BU of 5zjn by Molmil](/molmil-images/mine/5zjn) | |
5ZJB
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![BU of 5zjb by Molmil](/molmil-images/mine/5zjb) | |
5ZKN
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7UCU
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![BU of 7ucu by Molmil](/molmil-images/mine/7ucu) | Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 85K | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, Alcohol dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), ... | 著者 | Plapp, B.V, Gakhar, L. | 登録日 | 2022-03-17 | 公開日 | 2022-03-30 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases Acta Crystallogr.,Sect.D, D78, 2022
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7UEC
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![BU of 7uec by Molmil](/molmil-images/mine/7uec) | Horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 50 K | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ... | 著者 | Plapp, B.V, Gakhar, L. | 登録日 | 2022-03-21 | 公開日 | 2022-03-30 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases Acta Crystallogr.,Sect.D, D78, 2022
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7UEI
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![BU of 7uei by Molmil](/molmil-images/mine/7uei) | Horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 100 K, 1.2 A, crystal 16 | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ... | 著者 | Plapp, B.V, Gakhar, L. | 登録日 | 2022-03-21 | 公開日 | 2022-03-30 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases Acta Crystallogr.,Sect.D, D78, 2022
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7UDE
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![BU of 7ude by Molmil](/molmil-images/mine/7ude) | Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 125 K | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, Alcohol dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), ... | 著者 | Plapp, B.V, Gakhar, L. | 登録日 | 2022-03-18 | 公開日 | 2022-03-30 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases Acta Crystallogr.,Sect.D, D78, 2022
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7UC9
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![BU of 7uc9 by Molmil](/molmil-images/mine/7uc9) | Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 45 K | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, Alcohol dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), ... | 著者 | Plapp, B.V, Gakhar, L. | 登録日 | 2022-03-16 | 公開日 | 2022-03-30 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases Acta Crystallogr.,Sect.D, D78, 2022
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7UEF
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![BU of 7uef by Molmil](/molmil-images/mine/7uef) | Horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 85 K | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ... | 著者 | Plapp, B.V, Gakhar, L. | 登録日 | 2022-03-21 | 公開日 | 2022-03-30 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases Acta Crystallogr.,Sect.D, D78, 2022
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7UEE
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![BU of 7uee by Molmil](/molmil-images/mine/7uee) | Horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 75 K | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ... | 著者 | Plapp, B.V, Gakhar, L. | 登録日 | 2022-03-21 | 公開日 | 2022-03-30 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases Acta Crystallogr.,Sect.D, D78, 2022
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7UDR
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![BU of 7udr by Molmil](/molmil-images/mine/7udr) | Horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 25 K | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ... | 著者 | Plapp, B.V, Gakhar, L. | 登録日 | 2022-03-20 | 公開日 | 2022-03-30 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases Acta Crystallogr.,Sect.D, D78, 2022
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