2RUK
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6MSC
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![BU of 6msc by Molmil](/molmil-images/mine/6msc) | Novel, potent, selective and brain penetrant phosphodiesterase 10A inhibitors | Descriptor: | 8-fluoro-6-methoxy-3-methyl-1-(3-methylpyridin-4-yl)-3H-pyrazolo[3,4-c]cinnoline, MAGNESIUM ION, ZINC ION, ... | Authors: | Jakob, C.G. | Deposit date: | 2018-10-16 | Release date: | 2019-01-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Novel, potent, selective, and brain penetrant phosphodiesterase 10A inhibitors. Bioorg. Med. Chem. Lett., 29, 2019
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3NSZ
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![BU of 3nsz by Molmil](/molmil-images/mine/3nsz) | Human CK2 catalytic domain in complex with AMPPN | Descriptor: | Casein kinase II subunit alpha, GLYCEROL, MAGNESIUM ION, ... | Authors: | Ferguson, A.D. | Deposit date: | 2010-07-02 | Release date: | 2010-12-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural basis of CX-4945 binding to human protein kinase CK2. Febs Lett., 585, 2011
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3IP0
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3ILO
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![BU of 3ilo by Molmil](/molmil-images/mine/3ilo) | Crystal structure of E. coli HPPK(D97A) in complex with MgAMPCPP and 6-hydroxymethyl-7,8-dihydropterin | Descriptor: | 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, ACETATE ION, ... | Authors: | Blaszczyk, J, Li, Y, Yan, H, Ji, X. | Deposit date: | 2009-08-07 | Release date: | 2010-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structural and functional roles of residues D95 and D97 in E. coli HPPK To be Published
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4FFN
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![BU of 4ffn by Molmil](/molmil-images/mine/4ffn) | PylC in complex with D-ornithine and AMPPNP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, D-ORNITHINE, MAGNESIUM ION, ... | Authors: | Quitterer, F, List, A, Beck, P, Bacher, A, Groll, M. | Deposit date: | 2012-06-01 | Release date: | 2012-09-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Biosynthesis of the 22nd genetically encoded amino acid pyrrolysine: structure and reaction mechanism of PylC at 1.5A resolution. J.Mol.Biol., 424, 2012
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3J8A
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![BU of 3j8a by Molmil](/molmil-images/mine/3j8a) | Structure of the F-actin-tropomyosin complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | von der Ecken, J, Mueller, M, Lehman, W, Manstein, J.M, Penczek, A.P, Raunser, S. | Deposit date: | 2014-10-08 | Release date: | 2014-12-10 | Last modified: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structure of the F-actin--tropomyosin complex. Nature, 519, 2015
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2VNS
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![BU of 2vns by Molmil](/molmil-images/mine/2vns) | Crystal Structure of the Membrane Proximal Oxidoreductase Domain of Human Steap3, the Dominant Ferric Reductase of the Erythroid Transferrin Cycle | Descriptor: | CITRIC ACID, METALLOREDUCTASE STEAP3 | Authors: | Sendamarai, A.K, Ohgami, R.S, Fleming, M.D, Lawrence, C.M. | Deposit date: | 2008-02-07 | Release date: | 2008-05-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the Membrane Proximal Oxidoreductase Domain of Human Steap3, the Dominant Ferrireductase of the Erythroid Transferrin Cycle Proc.Natl.Acad.Sci.USA, 105, 2008
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3NCG
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6IFN
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![BU of 6ifn by Molmil](/molmil-images/mine/6ifn) | Crystal structure of Type III-A CRISPR Csm complex | Descriptor: | MANGANESE (II) ION, RNA (32-MER), Type III-A CRISPR-associated RAMP protein Csm3, ... | Authors: | You, L, Wang, J, Wang, Y. | Deposit date: | 2018-09-20 | Release date: | 2018-12-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference Cell, 176, 2019
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3PXU
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3MWU
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![BU of 3mwu by Molmil](/molmil-images/mine/3mwu) | Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with bumped kinase inhibitor RM-1-95 | Descriptor: | 3-(naphthalen-1-ylmethyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1 | Authors: | Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa, Medical Structural Genomics of Pathogenic Protozoa (MSGPP) | Deposit date: | 2010-05-06 | Release date: | 2010-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Discovery of Potent and Selective Inhibitors of Calcium-Dependent Protein Kinase 1 (CDPK1) from C. parvum and T. gondii. ACS Med Chem Lett, 1, 2010
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3HPA
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![BU of 3hpa by Molmil](/molmil-images/mine/3hpa) | Crystal structure of an amidohydrolase gi:44264246 from an evironmental sample of sargasso sea | Descriptor: | AMIDOHYDROLASE, ZINC ION | Authors: | Fedorov, A.A, Fedorov, E.V, Toro, R, Raushel, F.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2009-06-03 | Release date: | 2009-06-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The hunt for 8-oxoguanine deaminase. J.Am.Chem.Soc., 132, 2010
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2VGD
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![BU of 2vgd by Molmil](/molmil-images/mine/2vgd) | Crystal structure of environmental isolated GH11 in complex with xylobiose and feruloyl-arabino-xylotriose | Descriptor: | 5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-alpha-L-ribofuranose, ENXYN11A, GLYCEROL, ... | Authors: | Vardakou, M, Dumon, C, Flint, J.E, Murray, J.W, Christakopoulos, P, Weiner, D.P, Juge, N, Lewis, R.J, Gilbert, H.J. | Deposit date: | 2007-11-12 | Release date: | 2007-12-25 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Understanding the Structural Basis for Substrate and Inhibitor Recognition in Eukaryotic Gh11 Xylanases. J.Mol.Biol., 375, 2008
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3OT0
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3T9A
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![BU of 3t9a by Molmil](/molmil-images/mine/3t9a) | Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with AMPPNP at pH 7.0 | Descriptor: | CADMIUM ION, Inositol Pyrophosphate Kinase, MAGNESIUM ION, ... | Authors: | Wang, H, Falck, J, Hall, T.M.T, Shears, S.B. | Deposit date: | 2011-08-02 | Release date: | 2011-12-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for an inositol pyrophosphate kinase surmounting phosphate crowding. Nat.Chem.Biol., 8, 2011
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2WBE
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![BU of 2wbe by Molmil](/molmil-images/mine/2wbe) | Kinesin-5-Tubulin Complex with AMPPNP | Descriptor: | BIPOLAR KINESIN KRP-130, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Bodey, A.J, Kikkawa, M, Moores, C.A. | Deposit date: | 2009-02-26 | Release date: | 2009-03-24 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (9.4 Å) | Cite: | 9-Angstrom Structure of a Microtubule-Bound Mitotic Motor. J.Mol.Biol., 388, 2009
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2VQ3
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![BU of 2vq3 by Molmil](/molmil-images/mine/2vq3) | Crystal Structure of the Membrane Proximal Oxidoreductase Domain of Human Steap3, the Dominant Ferric Reductase of the Erythroid Transferrin Cycle | Descriptor: | CITRIC ACID, METALLOREDUCTASE STEAP3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Sendamarai, A.K, Ohgami, R.S, Fleming, M.D, Lawrence, C.M. | Deposit date: | 2008-03-10 | Release date: | 2008-05-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the Membrane Proximal Oxidoreductase Domain of Human Steap3, the Dominant Ferrireductase of the Erythroid Transferrin Cycle Proc.Natl.Acad.Sci.USA, 105, 2008
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6MSA
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![BU of 6msa by Molmil](/molmil-images/mine/6msa) | Novel, potent, selective and brain penetrant phosphodiesterase 10A inhibitors | Descriptor: | 7,8-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]cinnoline, MAGNESIUM ION, ZINC ION, ... | Authors: | Jakob, C.G. | Deposit date: | 2018-10-16 | Release date: | 2019-01-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Novel, potent, selective, and brain penetrant phosphodiesterase 10A inhibitors. Bioorg. Med. Chem. Lett., 29, 2019
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3M9C
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![BU of 3m9c by Molmil](/molmil-images/mine/3m9c) | Crystal structure of the membrane domain of respiratory complex I from Escherichia coli | Descriptor: | NADH-quinone oxidoreductase subunit NuoL, NADH-quinone oxidoreductase subunit NuoM, NADH-quinone oxidoreductase subunit NuoN, ... | Authors: | Efremov, R.G, Baradaran, R, Sazanov, L.A. | Deposit date: | 2010-03-22 | Release date: | 2010-05-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.9 Å) | Cite: | The architecture of respiratory complex I Nature, 465, 2010
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3T9D
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![BU of 3t9d by Molmil](/molmil-images/mine/3t9d) | Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with AMPPNP and 5-(PP)-IP5 (5-IP7) | Descriptor: | (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, Inositol Pyrophosphate Kinase, MAGNESIUM ION, ... | Authors: | Wang, H, Falck, J, Hall, T.M.T, Shears, S.B. | Deposit date: | 2011-08-02 | Release date: | 2011-12-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis for an inositol pyrophosphate kinase surmounting phosphate crowding. Nat.Chem.Biol., 8, 2011
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3T9B
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![BU of 3t9b by Molmil](/molmil-images/mine/3t9b) | Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with AMPPNP at pH 5.2 | Descriptor: | Inositol Pyrophosphate Kinase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Wang, H, Falck, J, Hall, T.M.T, Shears, S.B. | Deposit date: | 2011-08-02 | Release date: | 2011-12-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis for an inositol pyrophosphate kinase surmounting phosphate crowding. Nat.Chem.Biol., 8, 2011
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6KE0
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![BU of 6ke0 by Molmil](/molmil-images/mine/6ke0) | Crystal structure of PDE10A in complex with a triazolopyrimidine inhibitor | Descriptor: | 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[(2S)-2-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl]ethanone, MAGNESIUM ION, ZINC ION, ... | Authors: | Amano, Y, Honbou, K. | Deposit date: | 2019-07-03 | Release date: | 2019-08-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Synthesis, SAR study, and biological evaluation of novel 2,3-dihydro-1H-imidazo[1,2-a]benzimidazole derivatives as phosphodiesterase 10A inhibitors. Bioorg.Med.Chem., 27, 2019
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4IVG
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![BU of 4ivg by Molmil](/molmil-images/mine/4ivg) | Crystal structure of mitochondrial Hsp90 (TRAP1) NTD-Middle domain dimer with AMPPNP | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Partridge, J.R, Lavery, L.A, Agard, D.A. | Deposit date: | 2013-01-22 | Release date: | 2014-01-22 | Last modified: | 2014-08-27 | Method: | X-RAY DIFFRACTION (1.749 Å) | Cite: | Structural asymmetry in the closed state of mitochondrial Hsp90 (TRAP1) supports a two-step ATP hydrolysis mechanism. Mol.Cell, 53, 2014
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3NBA
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![BU of 3nba by Molmil](/molmil-images/mine/3nba) | Phosphopantetheine Adenylyltranferase from Mycobacterium tuberculosis in complex with adenosine-5'-[(alpha,beta)-methyleno]triphosphate (AMPCPP) | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, Phosphopantetheine adenylyltransferase | Authors: | Wubben, T.J, Mesecar, A.D. | Deposit date: | 2010-06-03 | Release date: | 2010-09-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Kinetic, thermodynamic, and structural insight into the mechanism of phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis. J.Mol.Biol., 404, 2010
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