5U6I
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![BU of 5u6i by Molmil](/molmil-images/mine/5u6i) | Discovery of MLi-2, an Orally Available and Selective LRRK2 Inhibitor that Reduces Brain Kinase Activity | Descriptor: | 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Scott, J.D, DeMong, D.E, Fell, M.J, Mirescu, C, Basu, K, Greshock, T.J, Morrow, J.A, Xiao, L, Hruza, A, Harris, J, Tiscia, H.E, Chang, R.K, Embrey, M.W, McCauley, J.A, Li, W, Lin, S, Liu, H, Dai, X, Baptista, M, Agnihotri, G, Columbus, J, Mei, H, Poirier, M, Zhou, X, Lin, Y, Yin, Z, Sanders, J.M, Drolet, R.E, Kern, J.T, Kennedy, M.E, Parker, E.M, Stamford, A.W, Nargund, R, Miller, M.W. | Deposit date: | 2016-12-08 | Release date: | 2017-03-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Discovery of a 3-(4-Pyrimidinyl) Indazole (MLi-2), an Orally Available and Selective Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitor that Reduces Brain Kinase Activity. J. Med. Chem., 60, 2017
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5TY3
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![BU of 5ty3 by Molmil](/molmil-images/mine/5ty3) | Crystal structure of K72A variant of Human Cytochrome c | Descriptor: | Cytochrome c, HEME C, SULFATE ION | Authors: | Mou, T.C, Nold, S.M, Lei, H, Sprang, S.R, Bowler, B.E. | Deposit date: | 2016-11-18 | Release date: | 2017-09-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Effect of a K72A Mutation on the Structure, Stability, Dynamics, and Peroxidase Activity of Human Cytochrome c. Biochemistry, 56, 2017
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1Y4B
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1Y7D
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1Y4G
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1Y83
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1Y4F
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1Y4V
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1Y4Q
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1Y5F
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1Y7G
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1Y0W
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1YHE
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![BU of 1yhe by Molmil](/molmil-images/mine/1yhe) | T-To-T(High) quaternary transitions in human hemoglobin: HbA OXY (5.0MM IHP, 20% PEG) (10 test sets) | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, OXYGEN MOLECULE, ... | Authors: | Kavanaugh, J.S, Rogers, P.H, Arnone, A. | Deposit date: | 2005-01-07 | Release date: | 2005-01-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions. Biochemistry, 44, 2005
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1Y7Z
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1YH9
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![BU of 1yh9 by Molmil](/molmil-images/mine/1yh9) | T-to-T(High) quaternary transitions in human hemoglobin: HbA OXY (2MM IHP, 20% PEG) (10 test sets) | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, OXYGEN MOLECULE, ... | Authors: | Kavanaugh, J.S, Rogers, P.H, Arnone, A. | Deposit date: | 2005-01-07 | Release date: | 2005-01-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions. Biochemistry, 44, 2005
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1YHR
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![BU of 1yhr by Molmil](/molmil-images/mine/1yhr) | T-To-T(High) quaternary transitions in human hemoglobin: HbA OXY (10.0MM IHP, 20% PEG) (10 test sets) | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, OXYGEN MOLECULE, ... | Authors: | Kavanaugh, J.S, Rogers, P.H, Arnone, A. | Deposit date: | 2005-01-10 | Release date: | 2005-01-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions. Biochemistry, 44, 2005
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1Y5J
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1Y4R
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1Y5K
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1Y7C
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1Y4P
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1Y46
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4WUY
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![BU of 4wuy by Molmil](/molmil-images/mine/4wuy) | Crystal Structure of Protein Lysine Methyltransferase SMYD2 in complex with LLY-507, a Cell-Active, Potent and Selective Inhibitor | Descriptor: | 5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}-N-[3-(pyrrolidin-1-yl)propyl]biphenyl-3-carboxamide, GLYCEROL, N-lysine methyltransferase SMYD2, ... | Authors: | Nguyen, H, Allali-Hassani, A, Antonysamy, S, Chang, S, Chen, L.H, Curtis, C, Emtage, S, Fan, L, Gheyi, T, Li, F, Liu, S, Martin, J.R, Mendel, D, Olsen, J.B, Pelletier, L, Shatseva, T, Wu, S, Zhang, F.F, Arrowsmith, C.H, Brown, P.J, Campbell, R.M, Garcia, B.A, Barsyte-Lovejoy, D, Mader, M, Vedadi, M. | Deposit date: | 2014-11-04 | Release date: | 2015-04-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | LLY-507, a Cell-active, Potent, and Selective Inhibitor of Protein-lysine Methyltransferase SMYD2. J.Biol.Chem., 290, 2015
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1RE8
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![BU of 1re8 by Molmil](/molmil-images/mine/1re8) | Crystal structure of cAMP-dependent protein kinase complexed with balanol analog 2 | Descriptor: | 3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-(2-HYDROXYBENZOYL)BENZOATE, N-OCTANE, cAMP-dependent protein kinase, ... | Authors: | Akamine, P, Madhusudan, Brunton, L.L, Ou, H.D, Canaves, J.M, Xuong, N.H, Taylor, S.S. | Deposit date: | 2003-11-06 | Release date: | 2004-02-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Balanol analogues probe specificity determinants and the conformational malleability of the cyclic 3',5'-adenosine monophosphate-dependent protein kinase catalytic subunit Biochemistry, 43, 2004
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1RU0
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![BU of 1ru0 by Molmil](/molmil-images/mine/1ru0) | Crystal structure of DCoH2, a paralog of DCoH, the Dimerization Cofactor of HNF-1 | Descriptor: | DcoH-like protein DCoHm | Authors: | Rose, R.B, Pullen, K.E, Bayle, J.H, Crabtree, G.R, Alber, T. | Deposit date: | 2003-12-10 | Release date: | 2004-10-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Biochemical and structural basis for partially redundant enzymatic and transcriptional functions of DCoH and DCoH2 Biochemistry, 43, 2004
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