7R48
 
 | | Bovine complex I in the presence of IM1761092, deactive class iv (Composite map) | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ... | | Authors: | Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J. | | Deposit date: | 2022-02-08 | | Release date: | 2023-02-08 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides.
Science, 379, 2023
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1KQM
 | | SCALLOP MYOSIN S1-AMPPNP IN THE ACTIN-DETACHED CONFORMATION | | Descriptor: | CALCIUM ION, MAGNESIUM ION, MYOSIN ESSENTIAL LIGHT CHAIN, ... | | Authors: | Himmel, D.M, Gourinath, S, Reshetnikova, L, Shen, Y, Szent-Gyorgyi, G, Cohen, C. | | Deposit date: | 2002-01-07 | | Release date: | 2002-11-20 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystallographic findings on the
internally uncoupled and near-rigor
states of myosin: Further insights into
the mechanics of the motor
Proc.Natl.Acad.Sci.USA, 99, 2002
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7R47
 | | Bovine complex I in the presence of IM1761092, deactive class iii (Composite map) | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ... | | Authors: | Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J. | | Deposit date: | 2022-02-08 | | Release date: | 2023-02-08 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides.
Science, 379, 2023
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7R4C
 | | Bovine complex I in the presence of IM1761092, deactive class v (Composite map) | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ... | | Authors: | Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J. | | Deposit date: | 2022-02-08 | | Release date: | 2023-02-08 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides.
Science, 379, 2023
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7R4F
 | | Bovine complex I in the presence of IM1761092, slack class i (Composite map) | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ... | | Authors: | Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J. | | Deposit date: | 2022-02-08 | | Release date: | 2023-02-08 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides.
Science, 379, 2023
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7R4G
 | | Bovine complex I in the presence of IM1761092, slack class ii (Composite map) | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ... | | Authors: | Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J. | | Deposit date: | 2022-02-08 | | Release date: | 2023-02-08 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides.
Science, 379, 2023
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5KJ8
 | | Structure of the Ca2+-bound synaptotagmin-1 SNARE complex (long unit cell form) - from synchrotron diffraction | | Descriptor: | CALCIUM ION, Synaptosomal-associated protein 25, Synaptotagmin-1, ... | | Authors: | Lyubimov, A.Y, Uervirojnangkoorn, M, Zhou, Q, Zhao, M, Sauter, N.K, Brewster, A.S, Weis, W.I, Brunger, A.T. | | Deposit date: | 2016-06-17 | | Release date: | 2016-10-19 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (4.1 Å) | | Cite: | Advances in X-ray free electron laser (XFEL) diffraction data processing applied to the crystal structure of the synaptotagmin-1 / SNARE complex.
Elife, 5, 2016
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5AXP
 | | Crystal structure of the catalytic domain of PDE10A complexed with 1-(2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl)-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one | | Descriptor: | 3-[3-fluoranyl-4-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one, MAGNESIUM ION, ZINC 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 (1.95 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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6O2Q
 | | Acetylated Microtubules | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Eshun-Wilson, L, Zhang, R, Portran, D, Nachury, M.V, Toso, D, Lohr, T, Vendruscolo, M, Bonomi, M, Fraser, J.S, Nogales, E. | | Deposit date: | 2019-02-24 | | Release date: | 2019-05-22 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Effects of alpha-tubulin acetylation on microtubule structure and stability.
Proc.Natl.Acad.Sci.USA, 116, 2019
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1HQ2
 | | CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF E.COLI HPPK(R82A) WITH MGAMPCPP AND 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN AT 1.25 ANGSTROM RESOLUTION | | Descriptor: | 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE, ACETATE ION, ... | | Authors: | Blaszczyk, J, Ji, X. | | Deposit date: | 2000-12-13 | | Release date: | 2003-04-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Dynamic Roles of Arginine Residues 82 and 92 of Escherichia coli
6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase: Crystallographic
Studies
Biochemistry, 42, 2003
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2AIX
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5I2R
 | | human PDE10A in complex with 3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one | | Descriptor: | 3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Joseph, C, Koerner, M, Rudolph, M.G. | | Deposit date: | 2016-02-09 | | Release date: | 2016-03-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
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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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5XUJ
 | | Crystal structure of PDE10A in complex with 7-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine | | Descriptor: | 7-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidine, MAGNESIUM ION, ZINC ION, ... | | Authors: | Amano, Y, Honbou, K. | | Deposit date: | 2017-06-23 | | Release date: | 2018-03-14 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Fragment-Based Discovery of Pyrimido[1,2-b]indazole PDE10A Inhibitors.
Chem. Pharm. Bull., 66, 2018
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7TRF
 | | Human telomerase catalytic core RNP with H2A/H2B | | Descriptor: | Histone H2A, Histone H2B type 1-C/E/F/G/I, Telomerase RNA, ... | | Authors: | Liu, B, He, Y, Wang, Y, Song, H, Zhou, Z.H, Feigon, J. | | Deposit date: | 2022-01-28 | | Release date: | 2022-04-20 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structure of active human telomerase with telomere shelterin protein TPP1.
Nature, 604, 2022
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5C28
 | | PDE10 complexed with 6-chloro-2-cyclopropyl-5-methyl-pyrimidin-4-amine | | Descriptor: | 6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine, MAGNESIUM ION, ZINC ION, ... | | Authors: | Yan, Y. | | Deposit date: | 2015-06-15 | | Release date: | 2015-09-30 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.56 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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5C2E
 | | PDE10 complexed with6-chloro-N-[(2,4-dimethylthiazol-5-yl)methyl]-5-methyl-2-[2-(2-pyridyl)ethoxy]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-[2-(pyridin-2-yl)ethoxy]pyrimidin-4-amine, MAGNESIUM ION, ... | | Authors: | Yan, Y. | | Deposit date: | 2015-06-15 | | Release date: | 2015-12-02 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 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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1ZYZ
 | | Structures of Yeast Ribonucloetide Reductase I | | Descriptor: | GLYCINE, Ribonucleoside-diphosphate reductase large chain 1 | | Authors: | Xu, H, Faber, C, Uchiki, T, Fairman, J.W, Racca, J, Dealwis, C. | | Deposit date: | 2005-06-13 | | Release date: | 2006-03-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structures of eukaryotic ribonucleotide reductase I provide insights into dNTP regulation
Proc.Natl.Acad.Sci.Usa, 103, 2006
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5C1W
 | | PDE10 complexed with 4,6-dichloro-2-cyclopropyl-5-methyl-pyrimidine | | Descriptor: | 4,6-dichloro-2-cyclopropyl-5-methylpyrimidine, MAGNESIUM ION, ZINC ION, ... | | Authors: | Yan, Y. | | Deposit date: | 2015-06-15 | | Release date: | 2015-09-30 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.7 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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5EDI
 | | human PDE10A, 6-Chloro-5,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-2H-[1,2,4]triazol-3-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine, 2.20A, H3, Rfree=23.5% | | Descriptor: | 6-chloranyl-5,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine, MAGNESIUM ION, ZINC ION, ... | | Authors: | Joseph, C, Rudolph, M.G. | | Deposit date: | 2015-10-21 | | Release date: | 2016-03-09 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
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3FWE
 | | Crystal Structure of the Apo D138L CAP mutant | | Descriptor: | Catabolite gene activator, PROLINE | | Authors: | Sharma, H, Wang, J, Kong, J, Yu, S, Steitz, T. | | Deposit date: | 2009-01-17 | | Release date: | 2009-09-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of apo-CAP reveals that large conformational changes are necessary for DNA binding
Proc.Natl.Acad.Sci.USA, 106, 2009
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4MVH
 | | Crystal Structure of PDE10A with Novel Keto-Benzimidazole Inhibitor | | Descriptor: | 1H-benzimidazol-2-yl(4-{[3-(morpholin-4-yl)pyrazin-2-yl]oxy}phenyl)methanone, SULFATE ION, ZINC ION, ... | | Authors: | Chmait, S, Jordan, S. | | Deposit date: | 2013-09-24 | | Release date: | 2013-10-23 | | Last modified: | 2014-01-15 | | Method: | X-RAY DIFFRACTION (2.496 Å) | | Cite: | Design, Optimization, and Biological Evaluation of Novel Keto-Benzimidazoles as Potent and Selective Inhibitors of Phosphodiesterase 10A (PDE10A).
J.Med.Chem., 56, 2013
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1N2J
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1LWL
 | | Crystal Structure of Cytochrome P450-cam with a Fluorescent Probe D-8-Ad (Adamantane-1-carboxylic acid-5-dimethylamino-naphthalene-1-sulfonylamino-octyl-amide) | | Descriptor: | ADAMANTANE-1-CARBOXYLIC ACID-5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-OCTYL-AMIDE, Cytochrome P450-cam, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Dunn, A.R, Hays, A.M, Goodin, D.B, Stout, C.D, Chiu, R, Winkler, J.R, Gray, H.B. | | Deposit date: | 2002-05-31 | | Release date: | 2002-12-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Fluorescent probes for cytochrome P450 structural characterization and inhibitor screening
J.AM.CHEM.SOC., 124, 2002
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2N1T
 | | Dynamic binding mode of a synaptotagmin-1-SNARE complex in solution | | Descriptor: | Synaptosomal-associated protein 25, Synaptotagmin-1, Syntaxin-1A, ... | | Authors: | Brewer, K, Bacaj, T, Cavalli, A, Camilloni, C, Swarbrick, J, Liu, J, Zhou, A, Zhou, P, Barlow, N, Xu, J, Seven, A, Prinslow, E, Voleti, R, Haussinger, D, Bonvin, A, Tomchick, D, Vendruscolo, M, Graham, B, Sudhof, T, Rizo, J. | | Deposit date: | 2015-04-21 | | Release date: | 2015-06-03 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Dynamic binding mode of a Synaptotagmin-1-SNARE complex in solution.
Nat.Struct.Mol.Biol., 22, 2015
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