7JVN
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7JVM
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5K00
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![BU of 5k00 by Molmil](/molmil-images/mine/5k00) | MELK in complex with NVS-MELK5 | Descriptor: | 4-{2-[(3-methoxyphenyl)amino]-4-[(piperidin-4-yl)methoxy]pyrimidin-5-yl}-N-[2-oxo-2-(phenylamino)ethyl]benzamide, Maternal embryonic leucine zipper kinase | Authors: | Sprague, E.R. | Deposit date: | 2016-05-17 | Release date: | 2017-03-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | "Addition" and "Subtraction": Selectivity Design for Type II Maternal Embryonic Leucine Zipper Kinase Inhibitors. J. Med. Chem., 60, 2017
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8P9X
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![BU of 8p9x by Molmil](/molmil-images/mine/8p9x) | Vitamin D receptor complex with Xe4Me agonist ligand | Descriptor: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-1,7~{a}-dimethyl-1-(5-methyl-5-oxidanyl-hexa-1,3-diynyl)-2,3,3~{a},5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, ACETATE ION, Nuclear receptor coactivator 2, ... | Authors: | Rochel, N. | Deposit date: | 2023-06-06 | Release date: | 2024-06-26 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A vitamin D-based strategy overcomes chemoresistance in prostate cancer. Br.J.Pharmacol., 2024
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8P9W
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![BU of 8p9w by Molmil](/molmil-images/mine/8p9w) | vitamin D receptor complex with Xe4MeCF3 analog | Descriptor: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-1,7~{a}-dimethyl-1-[6,6,6-tris(fluoranyl)-5-oxidanyl-5-(trifluoromethyl)hexa-1,3-diynyl]-2,3,3~{a},5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | Authors: | Belorusova, A.Y, Rochel, N. | Deposit date: | 2023-06-06 | Release date: | 2024-06-26 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A vitamin D-based strategy overcomes chemoresistance in prostate cancer. Br.J.Pharmacol., 2024
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6RPR
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![BU of 6rpr by Molmil](/molmil-images/mine/6rpr) | |
6FZY
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![BU of 6fzy by Molmil](/molmil-images/mine/6fzy) | PPAR mutant | Descriptor: | Peroxisome proliferator-activated receptor gamma | Authors: | Rochel, N. | Deposit date: | 2018-03-15 | Release date: | 2019-02-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Recurrent activating mutations of PPAR gamma associated with luminal bladder tumors. Nat Commun, 10, 2019
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6FZG
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![BU of 6fzg by Molmil](/molmil-images/mine/6fzg) | PPAR gamma mutant complex | Descriptor: | (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, CHLORIDE ION, Peroxisome proliferator-activated receptor gamma | Authors: | Rochel, N. | Deposit date: | 2018-03-14 | Release date: | 2019-02-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Recurrent activating mutations of PPAR gamma associated with luminal bladder tumors. Nat Commun, 10, 2019
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6FZF
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![BU of 6fzf by Molmil](/molmil-images/mine/6fzf) | PPAR mutant complex | Descriptor: | (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha | Authors: | Rochel, N. | Deposit date: | 2018-03-14 | Release date: | 2019-02-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Recurrent activating mutations of PPAR gamma associated with luminal bladder tumors. Nat Commun, 10, 2019
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6FZP
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![BU of 6fzp by Molmil](/molmil-images/mine/6fzp) | PPAR gamma complex. | Descriptor: | (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha | Authors: | Rochel, N, Beji, S. | Deposit date: | 2018-03-15 | Release date: | 2019-02-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Recurrent activating mutations of PPAR gamma associated with luminal bladder tumors. Nat Commun, 10, 2019
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6FZJ
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![BU of 6fzj by Molmil](/molmil-images/mine/6fzj) | PPAR gamma mutant complex | Descriptor: | (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, CHLORIDE ION, IODIDE ION, ... | Authors: | Rochel, N. | Deposit date: | 2018-03-14 | Release date: | 2019-02-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.011 Å) | Cite: | Recurrent activating mutations of PPAR gamma associated with luminal bladder tumors. Nat Commun, 10, 2019
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6IW8
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![BU of 6iw8 by Molmil](/molmil-images/mine/6iw8) | Crystal structure of Importin-alpha and wild-type GM130 | Descriptor: | Importin subunit alpha-1, Peptide from Golgin subfamily A member 2 | Authors: | Chang, C.-C, Chen, C.-J, Pien, Y.-C, Tsai, S.-Y, Hsia, K.-C. | Deposit date: | 2018-12-04 | Release date: | 2019-10-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Ran pathway-independent regulation of mitotic Golgi disassembly by Importin-alpha. Nat Commun, 10, 2019
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6IWA
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![BU of 6iwa by Molmil](/molmil-images/mine/6iwa) | Crystal structure of Importin-alpha and phosphoserine GM130 | Descriptor: | Importin subunit alpha-1, PHOSPHOSERINE GM130 | Authors: | Chang, C.-C, Chen, C.-J, Pien, Y.-C, Tsai, S.-Y, Hsia, K.-C. | Deposit date: | 2018-12-05 | Release date: | 2019-10-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Ran pathway-independent regulation of mitotic Golgi disassembly by Importin-alpha. Nat Commun, 10, 2019
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7DA6
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6K06
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![BU of 6k06 by Molmil](/molmil-images/mine/6k06) | Crystal structure of Importin-alpha and phosphomimetic GM130 | Descriptor: | Importin subunit alpha-1, Peptide from Golgin subfamily A member 2 | Authors: | Chang, C.-C, Chen, C.-J, Pien, Y.-C, Tsai, S.-Y, Hsia, K.-C. | Deposit date: | 2019-05-05 | Release date: | 2019-10-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Ran pathway-independent regulation of mitotic Golgi disassembly by Importin-alpha. Nat Commun, 10, 2019
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8UNG
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6DDD
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![BU of 6ddd by Molmil](/molmil-images/mine/6ddd) | Structure of the 50S ribosomal subunit from Methicillin Resistant Staphylococcus aureus in complex with the oxazolidinone antibiotic LZD-5 | Descriptor: | 2,2-dichloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide, 23S rRNA, 50S ribosomal protein L13, ... | Authors: | Belousoff, M.J, Venugopal, H, Bamert, R.S, Lithgow, T. | Deposit date: | 2018-05-10 | Release date: | 2019-03-20 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | cryoEM-Guided Development of Antibiotics for Drug-Resistant Bacteria. ChemMedChem, 14, 2019
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6DDG
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![BU of 6ddg by Molmil](/molmil-images/mine/6ddg) | Structure of the 50S ribosomal subunit from Methicillin Resistant Staphylococcus aureus in complex with the oxazolidinone antibiotic LZD-6 | Descriptor: | 2-chloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide, 23S rRNA, 50S ribosomal protein L13, ... | Authors: | Belousoff, M.J, Venugopal, H, Bamert, R.S, Lithgow, T. | Deposit date: | 2018-05-10 | Release date: | 2019-03-20 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | cryoEM-Guided Development of Antibiotics for Drug-Resistant Bacteria. ChemMedChem, 14, 2019
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5IHC
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![BU of 5ihc by Molmil](/molmil-images/mine/5ihc) | MELK in complex with NVS-MELK12B | Descriptor: | 4-[1-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-[(piperidin-4-yl)methoxy]pyridine, Maternal embryonic leucine zipper kinase | Authors: | Sprague, E.R, Brazell, T. | Deposit date: | 2016-02-29 | Release date: | 2016-06-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight. J.Med.Chem., 59, 2016
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5IHA
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![BU of 5iha by Molmil](/molmil-images/mine/5iha) | MELK in complex with NVS-MELK8F | Descriptor: | 1-methyl-4-(4-{4-[3-(2-methylpropoxy)pyridin-4-yl]-1H-pyrazol-1-yl}phenyl)piperazine, Maternal embryonic leucine zipper kinase | Authors: | Sprague, E.R, Brazell, T. | Deposit date: | 2016-02-29 | Release date: | 2016-06-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight. J.Med.Chem., 59, 2016
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5IH8
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![BU of 5ih8 by Molmil](/molmil-images/mine/5ih8) | MELK in complex with NVS-MELK1 | Descriptor: | Maternal embryonic leucine zipper kinase, N-[(pyridin-2-yl)methyl]-4-[4-(pyridin-4-yl)-1H-pyrazol-1-yl]benzamide | Authors: | Sprague, E.R, Puleo, D.E. | Deposit date: | 2016-02-29 | Release date: | 2016-06-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight. J.Med.Chem., 59, 2016
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5IH9
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![BU of 5ih9 by Molmil](/molmil-images/mine/5ih9) | MELK in complex with NVS-MELK8A | Descriptor: | 1-methyl-4-[4-(4-{3-[(piperidin-4-yl)methoxy]pyridin-4-yl}-1H-pyrazol-1-yl)phenyl]piperazine, Maternal embryonic leucine zipper kinase | Authors: | Sprague, E.R, Puleo, D.E. | Deposit date: | 2016-02-29 | Release date: | 2016-06-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight. J.Med.Chem., 59, 2016
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2R5W
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![BU of 2r5w by Molmil](/molmil-images/mine/2r5w) | Crystal structure of a bifunctional NMN adenylyltransferase/ADP ribose pyrophosphatase from Francisella tularensis | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Nicotinamide-nucleotide adenylyltransferase | Authors: | Huang, N, Sorci, L, Zhang, X, Brautigan, C, Li, X, Raffaelli, N, Grishin, N, Osterman, A, Zhang, H. | Deposit date: | 2007-09-04 | Release date: | 2008-03-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Bifunctional NMN Adenylyltransferase/ADP-Ribose Pyrophosphatase: Structure and Function in Bacterial NAD Metabolism. Structure, 16, 2008
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2QJT
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![BU of 2qjt by Molmil](/molmil-images/mine/2qjt) | Crystal structure of a bifunctional NMN adenylyltransferase/ADP ribose pyrophosphatase complexed with AMP and MN ion from Francisella tularensis | Descriptor: | ADENOSINE MONOPHOSPHATE, MANGANESE (II) ION, Nicotinamide-nucleotide adenylyltransferase | Authors: | Huang, N, Sorci, L, Zhang, X, Brautigan, C, Raffaelli, N, Magni, G, Grishin, N.V, Osterman, A, Zhang, H. | Deposit date: | 2007-07-09 | Release date: | 2008-03-04 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Bifunctional NMN Adenylyltransferase/ADP-Ribose Pyrophosphatase: Structure and Function in Bacterial NAD Metabolism. Structure, 16, 2008
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2QJO
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![BU of 2qjo by Molmil](/molmil-images/mine/2qjo) | crystal structure of a bifunctional NMN adenylyltransferase/ADP ribose pyrophosphatase (NadM) complexed with ADPRP and NAD from Synechocystis sp. | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Bifunctional NMN adenylyltransferase/Nudix hydrolase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Huang, N, Sorci, L, Zhang, X, Brautigan, C, Raffaelli, N, Magni, G, Grishin, N.V, Osterman, A, Zhang, H. | Deposit date: | 2007-07-08 | Release date: | 2008-03-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Bifunctional NMN Adenylyltransferase/ADP-Ribose Pyrophosphatase: Structure and Function in Bacterial NAD Metabolism. Structure, 16, 2008
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