6IJH
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![BU of 6ijh by Molmil](/molmil-images/mine/6ijh) | Crystal structure of PDE10 in complex with inhibitor AF-399/14387019 | Descriptor: | 2-[2-(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione, MAGNESIUM ION, ZINC ION, ... | Authors: | Huang, Y.Y, Yu, Y.F, Zhang, C, Wu, D, Wu, Y, Luo, H.B. | Deposit date: | 2018-10-10 | Release date: | 2019-04-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Validation of Phosphodiesterase-10 as a Novel Target for Pulmonary Arterial Hypertension via Highly Selective and Subnanomolar Inhibitors. J. Med. Chem., 62, 2019
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3ILJ
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![BU of 3ilj by Molmil](/molmil-images/mine/3ilj) | Crystal structure of E. coli HPPK(D95A) in complex with MgAMPCPP | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, ACETATE ION, CHLORIDE 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 (1.65 Å) | Cite: | Structural and functional roles of residues D95 and D97 in E. coli HPPK To be Published
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3T9C
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![BU of 3t9c by Molmil](/molmil-images/mine/3t9c) | Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with AMPPNP and inositol hexakisphosphate (IP6) | Descriptor: | INOSITOL HEXAKISPHOSPHATE, 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: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for an inositol pyrophosphate kinase surmounting phosphate crowding. Nat.Chem.Biol., 8, 2011
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2VUG
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![BU of 2vug by Molmil](/molmil-images/mine/2vug) | The structure of an archaeal homodimeric RNA ligase | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, PAB1020, ... | Authors: | Brooks, M.A, Meslet-Cladiere, L, Graille, M, Kuhn, J, Blondeau, K, Myllykallio, H, van Tilbeurgh, H. | Deposit date: | 2008-05-26 | Release date: | 2008-06-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The structure of an archaeal homodimeric ligase which has RNA circularization activity. Protein Sci., 17, 2008
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4HFZ
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![BU of 4hfz by Molmil](/molmil-images/mine/4hfz) | Crystal Structure of an MDM2/P53 Peptide Complex | Descriptor: | Cellular tumor antigen p53, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | Authors: | Anil, B, Riedinger, C, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2012-10-05 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.694 Å) | Cite: | The structure of an MDM2-Nutlin-3a complex solved by the use of a validated MDM2 surface-entropy reduction mutant. Acta Crystallogr.,Sect.D, 69, 2013
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6KDX
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![BU of 6kdx by Molmil](/molmil-images/mine/6kdx) | Crystal structure of PDE10A in complex with a triazolopyrimidine inhibitor | Descriptor: | MAGNESIUM ION, N-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinolin-2-amine, 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 (2.44 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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6K9U
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![BU of 6k9u by Molmil](/molmil-images/mine/6k9u) | Discovery of Pyrazolo[1,5-a]pyrimidine Derivative as a Highly Selective PDE10A Inhibitor | Descriptor: | 2-(3,7-dimethylquinoxalin-2-yl)-~{N}-(oxan-4-yl)-5-pyrrolidin-1-yl-pyrazolo[1,5-a]pyrimidin-7-amine, MAGNESIUM ION, SULFATE ION, ... | Authors: | Takedomi, K, Koizumi, Y. | Deposit date: | 2019-06-18 | Release date: | 2019-07-17 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Discovery of a pyrazolo[1,5-a]pyrimidine derivative (MT-3014) as a highly selective PDE10A inhibitor via core structure transformation from the stilbene moiety. Bioorg.Med.Chem., 27, 2019
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6KDZ
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![BU of 6kdz by Molmil](/molmil-images/mine/6kdz) | Crystal structure of PDE10A in complex with a triazolopyrimidine inhibitor | Descriptor: | 4-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-3,7,8,10-tetrazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaen-6-ol, 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 (3.1 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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4JAI
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![BU of 4jai by Molmil](/molmil-images/mine/4jai) | Crystal Structure of Aurora Kinase A in complex with N-{4-[(6-oxo-5,6-dihydrobenzo[c][1,8]naphthyridin-1-yl)amino]phenyl}benzamide | Descriptor: | Aurora kinase A, N-{4-[(6-oxo-5,6-dihydrobenzo[c][1,8]naphthyridin-1-yl)amino]phenyl}benzamide | Authors: | Jiang, X, Josephson, K, Huck, B, Goutopoulos, A, Karra, S. | Deposit date: | 2013-02-18 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | SAR and evaluation of novel 5H-benzo[c][1,8]naphthyridin-6-one analogs as Aurora kinase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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6KO0
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![BU of 6ko0 by Molmil](/molmil-images/mine/6ko0) | The crystal structue of PDE10A complexed with 1i | Descriptor: | 3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Huang, Y.-Y, Yu, Y.F, Zhang, C, Guo, L, Wu, D, Luo, H.-B. | Deposit date: | 2019-08-07 | Release date: | 2020-04-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.600029 Å) | Cite: | Discovery and Optimization of Chromone Derivatives as Novel Selective Phosphodiesterase 10 Inhibitors. Acs Chem Neurosci, 11, 2020
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6KO1
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![BU of 6ko1 by Molmil](/molmil-images/mine/6ko1) | The crystal structue of PDE10A complexed with 2d | Descriptor: | 6-chloranyl-3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Huang, Y.-Y, Yu, Y.F, Zhang, C, Guo, L, Wu, D, Luo, H.-B. | Deposit date: | 2019-08-07 | Release date: | 2020-04-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery and Optimization of Chromone Derivatives as Novel Selective Phosphodiesterase 10 Inhibitors. Acs Chem Neurosci, 11, 2020
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4JAJ
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![BU of 4jaj by Molmil](/molmil-images/mine/4jaj) | Crystal Structure of Aurora Kinase A in complex with BENZO[C][1,8]NAPHTHYRIDIN-6(5H)-ONE | Descriptor: | Aurora kinase A, benzo[c][1,8]naphthyridin-6(5H)-one | Authors: | Jiang, X, Josephson, K, Huck, B, Goutopoulos, A, Karra, S. | Deposit date: | 2013-02-18 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | SAR and evaluation of novel 5H-benzo[c][1,8]naphthyridin-6-one analogs as Aurora kinase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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3P83
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![BU of 3p83 by Molmil](/molmil-images/mine/3p83) | Structure of the PCNA:RNase HII complex from Archaeoglobus fulgidus. | Descriptor: | DNA polymerase sliding clamp, Ribonuclease HII | Authors: | Bubeck, D, Reijns, M.A, Graham, S.C, Astell, K.R, Jones, E.Y, Jackson, A.P. | Deposit date: | 2010-10-13 | Release date: | 2011-02-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | PCNA directs type 2 RNase H activity on DNA replication and repair substrates. Nucleic Acids Res., 39, 2011
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2XDN
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![BU of 2xdn by Molmil](/molmil-images/mine/2xdn) | |
3LQ0
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![BU of 3lq0 by Molmil](/molmil-images/mine/3lq0) | Zymogen structure of crayfish astacin metallopeptidase | Descriptor: | GLYCEROL, ProAstacin, SULFATE ION, ... | Authors: | Guevara, T, Yiallouros, I, Kappelhoff, R, Bissdorf, S, Stocker, W, Gomis-Ruth, F.X. | Deposit date: | 2010-02-08 | Release date: | 2010-02-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Proenzyme structure and activation of astacin metallopeptidase J.Biol.Chem., 285, 2010
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3ONW
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![BU of 3onw by Molmil](/molmil-images/mine/3onw) | Structure of a G-alpha-i1 mutant with enhanced affinity for the RGS14 GoLoco motif. | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, Regulator of G-protein signaling 14, ... | Authors: | Bosch, D, Kimple, A.J, Sammond, D.W, Miley, M.J, Machius, M, Kuhlman, B, Willard, F.S, Siderovski, D.P. | Deposit date: | 2010-08-30 | Release date: | 2010-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Structural Determinants of Affinity Enhancement between GoLoco Motifs and G-Protein {alpha} Subunit Mutants. J.Biol.Chem., 286, 2011
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4C3R
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![BU of 4c3r by Molmil](/molmil-images/mine/4c3r) | Structure of dephosphorylated Aurora A (122-403) bound to AMPPCP | Descriptor: | AURORA KINASE A, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | Authors: | Zorba, A, Kutter, S, Cho, Y.-J, Kern, D. | Deposit date: | 2013-08-26 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Molecular Mechanism of Aurora a Kinase Autophosphorylation and its Allosteric Activation by Tpx2. Elife, 3, 2014
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8TJQ
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![BU of 8tjq by Molmil](/molmil-images/mine/8tjq) | |
8TJU
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![BU of 8tju by Molmil](/molmil-images/mine/8tju) | Tetrahymena Ribozyme scaffolded TABV xrRNA | Descriptor: | DNA/RNA (416-MER), MAGNESIUM ION | Authors: | Langeberg, C.J, Kieft, J.S. | Deposit date: | 2023-07-24 | Release date: | 2023-11-01 | Last modified: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (3.46 Å) | Cite: | A generalizable scaffold-based approach for structure determination of RNAs by cryo-EM. Nucleic Acids Res., 51, 2023
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8TJV
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8TJX
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![BU of 8tjx by Molmil](/molmil-images/mine/8tjx) | Tetrahymena Ribozyme cryo-EM scaffold | Descriptor: | MAGNESIUM ION, RNA (440-MER) | Authors: | Langeberg, C.J, Kieft, J.S. | Deposit date: | 2023-07-24 | Release date: | 2023-11-01 | Last modified: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (2.44 Å) | Cite: | A generalizable scaffold-based approach for structure determination of RNAs by cryo-EM. Nucleic Acids Res., 51, 2023
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8TAF
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![BU of 8taf by Molmil](/molmil-images/mine/8taf) | |
8T17
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![BU of 8t17 by Molmil](/molmil-images/mine/8t17) | |
8T18
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![BU of 8t18 by Molmil](/molmil-images/mine/8t18) | |
8T15
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![BU of 8t15 by Molmil](/molmil-images/mine/8t15) | |