6M3X
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![BU of 6m3x by Molmil](/molmil-images/mine/6m3x) | Cryo-EM structure of sulfur oxygenase reductase from Sulfurisphaera tokodaii | Descriptor: | FE (III) ION, Sulfur oxygenase/reductase | Authors: | Sato, Y, Adachi, N, Moriya, T, Arakawa, T, Kawasaki, M, Yamada, C, Senda, T, Fushinobu, S. | Deposit date: | 2020-03-04 | Release date: | 2020-07-15 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.24 Å) | Cite: | Crystallographic and cryogenic electron microscopic structures and enzymatic characterization of sulfur oxygenase reductase fromSulfurisphaera tokodaii. J Struct Biol X, 4, 2020
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6RZV
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![BU of 6rzv by Molmil](/molmil-images/mine/6rzv) | Structure of s-Mgm1 decorating the inner surface of tubulated lipid membranes | Descriptor: | Putative mitochondrial dynamin protein | Authors: | Faelber, K, Dietrich, L, Noel, J.K, Sanchez, R, Kudryashev, M, Kuelbrandt, W, Daumke, O. | Deposit date: | 2019-06-13 | Release date: | 2019-07-24 | Last modified: | 2020-11-18 | Method: | ELECTRON MICROSCOPY (20.6 Å) | Cite: | Structure and assembly of the mitochondrial membrane remodelling GTPase Mgm1. Nature, 571, 2019
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1IOJ
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![BU of 1ioj by Molmil](/molmil-images/mine/1ioj) | HUMAN APOLIPOPROTEIN C-I, NMR, 18 STRUCTURES | Descriptor: | APOC-I | Authors: | Rozek, A, Sparrow, J.T, Weisgraber, K.H, Cushley, R.J. | Deposit date: | 1998-05-12 | Release date: | 1998-08-12 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Conformation of human apolipoprotein C-I in a lipid-mimetic environment determined by CD and NMR spectroscopy. Biochemistry, 38, 1999
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4ZO5
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![BU of 4zo5 by Molmil](/molmil-images/mine/4zo5) | PDE10 complexed with 4-isopropoxy-2-(2-(3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)ethyl)isoindoline-1,3-dione | Descriptor: | 2-{2-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-4-(propan-2-yloxy)-1H-isoindole-1,3(2H)-dione, 3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-2,4-dione, MAGNESIUM ION, ... | Authors: | Yan, Y. | Deposit date: | 2015-05-06 | Release date: | 2015-08-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of [(11)C]MK-8193 as a PET tracer to measure target engagement of phosphodiesterase 10A (PDE10A) inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
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4ZP3
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![BU of 4zp3 by Molmil](/molmil-images/mine/4zp3) | AKAP18:PKA-RIIalpha structure reveals crucial anchor points for recognition of regulatory subunits of PKA | Descriptor: | A-kinase anchor protein 7 isoforms alpha and beta, CADMIUM ION, cAMP-dependent protein kinase type II-alpha regulatory subunit | Authors: | Goetz, F, Roske, Y, Faelber, K, Zuehlke, K, Autenrieth, K, Kreuchwig, A, Krause, G, Herberg, F.W, Daumke, O, Heinemann, U, Klussmann, E. | Deposit date: | 2015-05-07 | Release date: | 2016-05-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | AKAP18:PKA-RII alpha structure reveals crucial anchor points for recognition of regulatory subunits of PKA. Biochem.J., 473, 2016
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1PHD
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![BU of 1phd by Molmil](/molmil-images/mine/1phd) | |
1PHG
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![BU of 1phg by Molmil](/molmil-images/mine/1phg) | |
1PHE
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![BU of 1phe by Molmil](/molmil-images/mine/1phe) | |
7W4Y
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![BU of 7w4y by Molmil](/molmil-images/mine/7w4y) | Crystal structure of PDE4D catalytic domain complexed with 33a | Descriptor: | (2R,4S)-6-ethyl-2-(2-hydroxyethyl)-2,8-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Huang, Y.-Y, Luo, H.-B. | Deposit date: | 2021-11-29 | Release date: | 2022-03-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.10002947 Å) | Cite: | Discovery and Structural Optimization of Toddacoumalone Derivatives as Novel PDE4 Inhibitors for the Topical Treatment of Psoriasis. J.Med.Chem., 65, 2022
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7W4X
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![BU of 7w4x by Molmil](/molmil-images/mine/7w4x) | Crystal structure of PDE4D catalytic domain complexed with 17 | Descriptor: | (2R,4S)-2-(2-hydroxyethyl)-2,6-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Huang, Y.-Y, Luo, H.-B. | Deposit date: | 2021-11-29 | Release date: | 2022-03-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.20007324 Å) | Cite: | Discovery and Structural Optimization of Toddacoumalone Derivatives as Novel PDE4 Inhibitors for the Topical Treatment of Psoriasis. J.Med.Chem., 65, 2022
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1PHF
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![BU of 1phf by Molmil](/molmil-images/mine/1phf) | |
8C38
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![BU of 8c38 by Molmil](/molmil-images/mine/8c38) | |
4Y2B
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![BU of 4y2b by Molmil](/molmil-images/mine/4y2b) | Co-crystal structure of 3-ethyl-2-(isopropylamino)-7-(pyridin-3-yl)thieno[3,2-d]pyrimidin-4(3H)-one bound to PDE7A | Descriptor: | 3-ethyl-2-(propan-2-ylamino)-7-(pyridin-3-yl)thieno[3,2-d]pyrimidin-4(3H)-one, High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A, MAGNESIUM ION, ... | Authors: | Endo, Y, Kawai, K, Asano, T, Amano, S, Asanuma, Y, Sawada, K, Onodera, Y, Ueo, N, Takahashi, N, Sonoda, Y, Kamei, N, Irie, T. | Deposit date: | 2015-02-09 | Release date: | 2015-04-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 2-(Isopropylamino)thieno[3,2-d]pyrimidin-4(3H)-one derivatives as selective phosphodiesterase 7 inhibitors with potent in vivo efficacy Bioorg.Med.Chem.Lett., 25, 2015
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3WS9
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![BU of 3ws9 by Molmil](/molmil-images/mine/3ws9) | Crystal structure of PDE10A in complex with a benzimdazole inhibitor | Descriptor: | 7-[2-(5-methyl-1-phenyl-1H-benzimidazol-2-yl)ethyl]imidazo[1,5-b]pyridazine, MAGNESIUM ION, ZINC ION, ... | Authors: | Amano, Y, Honbou, K. | Deposit date: | 2014-03-04 | Release date: | 2014-06-04 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Novel benzimidazole derivatives as phosphodiesterase 10A (PDE10A) inhibitors with improved metabolic stability. Bioorg.Med.Chem., 22, 2014
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6SVH
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![BU of 6svh by Molmil](/molmil-images/mine/6svh) | Protein allostery of the WW domain at atomic resolution: FFpSPR bound structure | Descriptor: | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Strotz, D, Orts, J, Friedmann, M, Guntert, P, Vogeli, B, Riek, R. | Deposit date: | 2019-09-18 | Release date: | 2020-09-30 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Protein Allostery at Atomic Resolution. Angew.Chem.Int.Ed.Engl., 59, 2020
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5C2H
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![BU of 5c2h by Molmil](/molmil-images/mine/5c2h) | PDE10 complexed with 6-chloro-N-[(2,4-dimethylthiazol-5-yl)methyl]-5-methyl-2-[3-(2-quinolyl)propoxy]pyrimidin-4-amine | Descriptor: | 3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-2,4-dione, 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[3-(quinolin-2-yl)propoxy]pyrimidin-4-amine, MAGNESIUM ION, ... | Authors: | Yan, Y. | Deposit date: | 2015-06-15 | Release date: | 2015-10-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Discovery and Optimization of a Series of Pyrimidine-Based Phosphodiesterase 10A (PDE10A) Inhibitors through Fragment Screening, Structure-Based Design, and Parallel Synthesis. J.Med.Chem., 58, 2015
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1N2I
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![BU of 1n2i by Molmil](/molmil-images/mine/1n2i) | Crystal Structure of Pantothenate Synthetase from M. tuberculosis in complex with a reaction intermediate, pantoyl adenylate, different occupancies of pantoyl adenylate | Descriptor: | ETHANOL, GLYCEROL, PANTOYL ADENYLATE, ... | Authors: | Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2002-10-22 | Release date: | 2003-04-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of a pantothenate
synthetase from M. tuberculosis and its
complexes with substrates and a
reaction intermediate Protein Sci., 12, 2003
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3WI2
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![BU of 3wi2 by Molmil](/molmil-images/mine/3wi2) | Crystal structure of PDE10A in complex with inhibitor | Descriptor: | 2-({[1-phenyl-2-(propan-2-yl)-1H-benzimidazol-6-yl]oxy}methyl)quinoline, MAGNESIUM ION, ZINC ION, ... | Authors: | Amano, Y. | Deposit date: | 2013-09-04 | Release date: | 2013-12-11 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Design and synthesis of novel benzimidazole derivatives as phosphodiesterase 10A inhibitors with reduced CYP1A2 inhibition. Bioorg.Med.Chem., 21, 2013
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3FAS
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![BU of 3fas by Molmil](/molmil-images/mine/3fas) | X-ray structure of iGluR4 flip ligand-binding core (S1S2) in complex with (S)-glutamate at 1.40A resolution | Descriptor: | GLUTAMIC ACID, GLYCEROL, Glutamate receptor 4, ... | Authors: | Kasper, C, Frydenvang, K, Naur, P, Gajhede, M, Kastrup, J.S. | Deposit date: | 2008-11-18 | Release date: | 2008-12-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Molecular mechanism of agonist recognition by the ligand-binding core of the ionotropic glutamate receptor 4 Febs Lett., 582, 2008
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4WZI
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1XLU
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![BU of 1xlu by Molmil](/molmil-images/mine/1xlu) | X-Ray Structure Of Di-Isopropyl-Phosphoro-Fluoridate (Dfp) Inhibited Butyrylcholinesterase after Aging | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Nachon, F, Asojo, O.A, Borgstahl, G.E.O, Masson, P, Lockridge, O. | Deposit date: | 2004-09-30 | Release date: | 2005-02-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.198 Å) | Cite: | Role of Water in Aging of Human Butyrylcholinesterase Inhibited by Echothiophate: The Crystal Structure Suggests Two Alternative Mechanisms of Aging Biochemistry, 44, 2005
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5AXQ
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![BU of 5axq by Molmil](/molmil-images/mine/5axq) | Crystal structure of the catalytic domain of PDE10A complexed with highly potent and brain-penetrant PDE10A Inhibitor with 2-oxindole scaffold | Descriptor: | 1-(cyclopropylmethyl)-4-fluoranyl-5-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]-3,3-dimethyl-indol-2-one, 3-[3-fluoranyl-4-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one, MAGNESIUM ION, ... | Authors: | Oki, H, Zama, Y. | Deposit date: | 2015-07-31 | Release date: | 2015-11-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Design and synthesis of a novel 2-oxindole scaffold as a highly potent and brain-penetrant phosphodiesterase 10A inhibitor Bioorg.Med.Chem., 23, 2015
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3ZYL
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![BU of 3zyl by Molmil](/molmil-images/mine/3zyl) | Structure of a truncated CALM (PICALM) ANTH domain | Descriptor: | PHOSPHATIDYLINOSITOL-BINDING CLATHRIN ASSEMBLY PROTEIN | Authors: | Miller, S.E, Sahlender, D.A, Graham, S.C, Honing, S, Robinson, M.S, Peden, A.A, Owen, D.J. | Deposit date: | 2011-08-23 | Release date: | 2011-12-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The molecular basis for the endocytosis of small R-SNAREs by the clathrin adaptor CALM. Cell, 147, 2011
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1LB9
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![BU of 1lb9 by Molmil](/molmil-images/mine/1lb9) | Crystal structure of the Non-desensitizing GluR2 ligand binding core mutant (S1S2J-L483Y) in complex with antagonist DNQX at 2.3 A resolution | Descriptor: | 6,7-DINITROQUINOXALINE-2,3-DIONE, Glutamate receptor 2, SULFATE ION | Authors: | Sun, Y, Olson, R, Horning, M, Armstrong, N, Mayer, M, Gouaux, E. | Deposit date: | 2002-04-02 | Release date: | 2002-06-05 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mechanism of glutamate receptor desensitization. Nature, 417, 2002
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1XLV
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![BU of 1xlv by Molmil](/molmil-images/mine/1xlv) | Ethylphosphorylated Butyrylcholinesterase (Aged) Obtained By Reaction With Echothiophate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Nachon, F, Asojo, O.A, Borgstahl, G.E.O, Masson, P, Lockridge, O. | Deposit date: | 2004-09-30 | Release date: | 2005-02-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.247 Å) | Cite: | Role of Water in Aging of Human Butyrylcholinesterase Inhibited by Echothiophate: The Crystal Structure Suggests Two Alternative Mechanisms of Aging Biochemistry, 44, 2005
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