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 | 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
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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 | 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
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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 | 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
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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 | 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
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7UEJ
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![BU of 7uej by Molmil](/molmil-images/mine/7uej) | 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
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7UCA
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![BU of 7uca by Molmil](/molmil-images/mine/7uca) | 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
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7UHW
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![BU of 7uhw by Molmil](/molmil-images/mine/7uhw) | 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
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7UHX
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![BU of 7uhx by Molmil](/molmil-images/mine/7uhx) | 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
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7UDD
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![BU of 7udd by Molmil](/molmil-images/mine/7udd) | 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
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7UHV
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![BU of 7uhv by Molmil](/molmil-images/mine/7uhv) | 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
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5ZJB
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![BU of 5zjb by Molmil](/molmil-images/mine/5zjb) | |
5ZKN
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![BU of 5zkn by Molmil](/molmil-images/mine/5zkn) | |
3QE0
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![BU of 3qe0 by Molmil](/molmil-images/mine/3qe0) | 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
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7JQA
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![BU of 7jqa by Molmil](/molmil-images/mine/7jqa) | 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
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2GW2
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![BU of 2gw2 by Molmil](/molmil-images/mine/2gw2) | 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
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7K35
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![BU of 7k35 by Molmil](/molmil-images/mine/7k35) | 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
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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 | 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
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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 | 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
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2ESL
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![BU of 2esl by Molmil](/molmil-images/mine/2esl) | 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
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2HE9
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![BU of 2he9 by Molmil](/molmil-images/mine/2he9) | 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
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2R99
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![BU of 2r99 by Molmil](/molmil-images/mine/2r99) | 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
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5ZJM
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![BU of 5zjm by Molmil](/molmil-images/mine/5zjm) | 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
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3QK0
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![BU of 3qk0 by Molmil](/molmil-images/mine/3qk0) | 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
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3QI2
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![BU of 3qi2 by Molmil](/molmil-images/mine/3qi2) | 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
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3QJZ
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![BU of 3qjz by Molmil](/molmil-images/mine/3qjz) | 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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