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4ACM
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BU of 4acm by Molmil
CDK2 IN COMPLEX WITH 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}-PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE
分子名称: 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE, CYCLIN-DEPENDENT KINASE 2, GLYCEROL
著者Berg, S, Bhat, R, Anderson, M, Bergh, M, Brassington, C, Hellberg, S, Jerning, E, Hogdin, K, Lo-Alfredsson, Y, Neelissen, J, Nilsson, Y, Ormo, M, Soderman, P, Stanway, J, Tucker, J, von Berg, S, Weigelt, T, Xue, Y.
登録日2011-12-16
公開日2012-05-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines.
J. Med. Chem., 55, 2012
8A7X
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BU of 8a7x by Molmil
NaK C-DI F92A mutant soaked in Cs+
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CESIUM ION, POTASSIUM ION, ...
著者Minniberger, S, Plested, A.J.R.
登録日2022-06-21
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
8A35
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BU of 8a35 by Molmil
NaK C-DI mutant with Rb+ and Na+
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Potassium channel protein, RUBIDIUM ION, ...
著者Minniberger, S, Plested, A.J.R.
登録日2022-06-07
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
7OOR
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BU of 7oor by Molmil
NaK C-DI mutant with Na+ and K+
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
著者Minniberger, S, Plested, A.J.R.
登録日2021-05-28
公開日2022-06-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
7OPH
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BU of 7oph by Molmil
NaK S-DI mutant with Na+ and K+
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
著者Minniberger, S, Plested, A.J.R.
登録日2021-05-31
公開日2022-06-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
7OOU
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BU of 7oou by Molmil
NaK C-DI mutant with Li+ and K+
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ...
著者Minniberger, S, Plested, A.J.R.
登録日2021-05-28
公開日2022-06-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
7OQ1
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BU of 7oq1 by Molmil
NaK S-ELM mutant with Na+ and K+
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ...
著者Minniberger, S, Plested, A.J.R.
登録日2021-06-02
公開日2022-06-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
7OQ2
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BU of 7oq2 by Molmil
NaK S-DI mutant soaked in Na+
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, POTASSIUM ION, ...
著者Minniberger, S, Plested, A.J.R.
登録日2021-06-02
公開日2022-06-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
7PA0
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BU of 7pa0 by Molmil
NaK C-DI F92A mutant with Rb+ and K+
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ...
著者Minniberger, S, Plested, A.J.R.
登録日2021-07-28
公開日2022-08-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
6F2K
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BU of 6f2k by Molmil
Crystal structure of Hen Egg-White Lysozyme co-crystallized in presence of 100 mM Tb-Xo4 and 100 mM potassium phosphate monobasic.
分子名称: CHLORIDE ION, Lysozyme C, TERBIUM(III) ION
著者Engilberge, S, Riobe, F, Di Pietro, S, Girard, E, Dumont, E, Maury, O.
登録日2017-11-24
公開日2018-10-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Unveiling the Binding Modes of the Crystallophore, a Terbium-based Nucleating and Phasing Molecular Agent for Protein Crystallography.
Chemistry, 24, 2018
6F2M
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BU of 6f2m by Molmil
Structure of the bacteriophage T5 distal tail protein pb9 co-crystallized with 10mM Tb-Xo4
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Distal tail protein, ...
著者Engilberge, S, Riobe, F, Di Pietro, S, Breyton, C, Girard, E, Dumont, E, Maury, O.
登録日2017-11-24
公開日2018-10-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Unveiling the Binding Modes of the Crystallophore, a Terbium-based Nucleating and Phasing Molecular Agent for Protein Crystallography.
Chemistry, 24, 2018
6F2F
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BU of 6f2f by Molmil
Crystal structure of Protease 1 from Pyrococcus Horikoshii co-cystallized in presence of 10 mM Tb-Xo4 and ammonium sulfate.
分子名称: Deglycase PH1704, Dihydroxyacetone, SULFATE ION, ...
著者Engilberge, S, Riobe, F, Di Pietro, S, Franzetti, B, Girard, E, Dumont, E, Maury, O.
登録日2017-11-24
公開日2018-10-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Unveiling the Binding Modes of the Crystallophore, a Terbium-based Nucleating and Phasing Molecular Agent for Protein Crystallography.
Chemistry, 24, 2018
6F2J
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BU of 6f2j by Molmil
Crystal structure of Hen Egg-White Lysozyme co-crystallized in presence of 100 mM Tb-Xo4 and 100 mM sodium sulfate
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION, ...
著者Engilberge, S, Riobe, F, Di Pietro, S, Girard, E, Dumont, E, Maury, O.
登録日2017-11-24
公開日2018-10-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Unveiling the Binding Modes of the Crystallophore, a Terbium-based Nucleating and Phasing Molecular Agent for Protein Crystallography.
Chemistry, 24, 2018
6F2H
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BU of 6f2h by Molmil
Structure of Protease 1 from Pyrococcus horikoshii co-crystallized in presence of 10 mM Tb-Xo4 and potassium iodide.
分子名称: Deglycase PH1704, IODIDE ION, TERBIUM(III) ION, ...
著者Engilberge, S, Riobe, F, Di Pietro, S, Franzetti, B, Girard, E, Dumont, E, Maury, O.
登録日2017-11-24
公開日2018-10-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Unveiling the Binding Modes of the Crystallophore, a Terbium-based Nucleating and Phasing Molecular Agent for Protein Crystallography.
Chemistry, 24, 2018
6F2I
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BU of 6f2i by Molmil
Crystal structure of Hen Egg-White Lysozyme co-crystallized in presence of 100 mM Tb-Xo4
分子名称: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
著者Engilberge, S, Riobe, F, DI Pietro, S, Girard, E, Dumont, E, Maury, O.
登録日2017-11-24
公開日2018-10-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Unveiling the Binding Modes of the Crystallophore, a Terbium-based Nucleating and Phasing Molecular Agent for Protein Crystallography.
Chemistry, 24, 2018
5MF2
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BU of 5mf2 by Molmil
Bacteriophage T5 distal tail protein pb9 co-crystallized with Tb-Xo4
分子名称: CHLORIDE ION, Distal tail protein, TERBIUM(III) ION, ...
著者Engilberge, S, Riobe, F, Di Pietro, S, Lassalle, L, Arnaud, C.-A, Breyton, C, Madern, D, Coquelle, N, Maury, O, Girard, E.
登録日2016-11-17
公開日2017-09-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystallophore: a versatile lanthanide complex for protein crystallography combining nucleating effects, phasing properties, and luminescence.
Chem Sci, 8, 2017
1KWQ
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BU of 1kwq by Molmil
HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH INHIBITOR 2000-07
分子名称: 3-NITRO-4-(2-OXO-PYRROLIDIN-1-YL)-BENZENESULFONAMIDE, Carbonic anhydrase II, MERCURY (II) ION, ...
著者Grueneberg, S, Stubbs, M.T.
登録日2002-01-30
公開日2003-01-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Successful virtual screening for novel inhibitors of human carbonic anhydrase: strategy and experimental confirmation.
J.Med.Chem., 45, 2002
1KWR
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BU of 1kwr by Molmil
HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH INHIBITOR 0134-36
分子名称: 1-METHYL-3-OXO-1,3-DIHYDRO-BENZO[C]ISOTHIAZOLE-5-SULFONIC ACID AMIDE, Carbonic anhydrase II, ZINC ION
著者Grueneberg, S, Stubbs, M.T.
登録日2002-01-30
公開日2003-01-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Successful virtual screening for novel inhibitors of human carbonic anhydrase: strategy and experimental confirmation.
J.Med.Chem., 45, 2002
7BKY
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BU of 7bky by Molmil
Endothiapepsin structure obtained at 298K with fragment BTB09871 bound from a dataset collected with JUNGFRAU detector
分子名称: DIMETHYL SULFOXIDE, Endothiapepsin, PENTAETHYLENE GLYCOL, ...
著者Engilberge, S, Huang, C.-Y, Leonarski, F, Wojdyla, J.A, Marsh, M, Olieric, V, Wang, M.
登録日2021-01-17
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Endothiapepsin structure obtained at 298K with fragment BTB09871 bound from a dataset collected with JUNGFRAU detector
To Be Published
7BKR
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BU of 7bkr by Molmil
Endothiapepsin structure obtained at 298K and 40 mM DMSO from a dataset collected with JUNGFRAU detector
分子名称: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Engilberge, S, Huang, C.-Y, Leonarski, F, Wojdyla, J.A, Marsh, M, Olieric, V, Wang, M.
登録日2021-01-17
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Endothiapepsin structure obtained at 298K and 40 mM DMSO from a dataset collected with JUNGFRAU detector
To Be Published
7BKV
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BU of 7bkv by Molmil
Endothiapepsin structure obtained at 100K with fragment AC39729 bound
分子名称: 5-fluoranylpyridin-2-amine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Engilberge, S, Huang, C.-Y, Smith, K.M.L, Eris, D, Marsh, M, Wang, M, Wojdyla, J.A.
登録日2021-01-17
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Endothiapepsin structure obtained at 100K with fragment AC39729 bound
To Be Published
7BKS
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BU of 7bks by Molmil
100K endothiapepsin structure obtained in presence of 40 mM DMSO
分子名称: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Engilberge, S, Huang, C.-Y, Smith, K.M.L, Eris, D, Marsh, M, Wang, M, Wojdyla, J.A.
登録日2021-01-17
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献100K endothiapepsin structure obtained in presence of 40 mM DMSO
To Be Published
7BKU
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BU of 7bku by Molmil
Endothiapepsin structure obtained at 100K with fragment JFD03909 bound
分子名称: 1,10-PHENANTHROLINE, DIMETHYL SULFOXIDE, Endothiapepsin
著者Engilberge, S, Huang, C.-Y, Smith, K.M.L, Eris, D, Marsh, M, Wang, M, Wojdyla, J.A.
登録日2021-01-17
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Endothiapepsin structure obtained at 100K with fragment JFD03909 bound
To Be Published
7BKZ
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BU of 7bkz by Molmil
Endothiapepsin structure obtained at 298K after a soaking with fragment AC39729 from a dataset collected with JUNGFRAU detector
分子名称: DIMETHYL SULFOXIDE, Endothiapepsin
著者Engilberge, S, Huang, C.-Y, Leonarski, F, Wojdyla, J.A, Marsh, M, Olieric, V, Wang, M.
登録日2021-01-17
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Endothiapepsin structure obtained at 298K after a soaking with fragment AC39729 from a dataset collected with JUNGFRAU detector
To Be Published
7NDL
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BU of 7ndl by Molmil
Crystal structure of human GFAT-1 S205D
分子名称: GLUCOSE-6-PHOSPHATE, GLUTAMIC ACID, Isoform 2 of Glutamine-fructose-6-phosphate aminotransferase [isomerizing] 1
著者Ruegenberg, S, Baumann, U, Denzel, M.S.
登録日2021-02-02
公開日2021-03-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.223 Å)
主引用文献Protein kinase A controls the hexosamine pathway by tuning the feedback inhibition of GFAT-1.
Nat Commun, 12, 2021

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