3NUO
 
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6SRN
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5SY3
 | | Structure-based design of a new series of N-piperidin-3-ylpyrimidine-5-carboxamides as renin inhibitors | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.C, Lane, W. | | Deposit date: | 2016-08-10 | | Release date: | 2016-11-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-based design of a new series of N-(piperidin-3-yl)pyrimidine-5-carboxamides as renin inhibitors.
Bioorg.Med.Chem., 24, 2016
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3ZH8
 | | A novel small molecule aPKC inhibitor | | Descriptor: | (2S)-3-phenyl-N~1~-[2-(pyridin-4-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Kjaer, S, Purkiss, A.G, Kostelecky, B, Knowles, P.P, Soriano, E, Murray-Rust, J, McDonald, N.Q. | | Deposit date: | 2012-12-20 | | Release date: | 2013-02-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.739 Å) | | Cite: | Adenosine-Binding Motif Mimicry and Cellular Effects of a Thieno[2,3-D]Pyrimidine-Based Chemical Inhibitor of Atypical Protein Kinase C Isozymes.
Biochem.J., 451, 2013
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3OGQ
 | | Crystal Structure of 6s-98S FIV Protease with Lopinavir bound | | Descriptor: | DIMETHYL SULFOXIDE, FIV protease, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE | | Authors: | Lin, Y.-C, Perryman, A.L, Elder, J.H, Stout, C.D. | | Deposit date: | 2010-08-17 | | Release date: | 2011-06-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for drug and substrate specificity exhibited by FIV encoding a chimeric FIV/HIV protease.
Acta Crystallogr.,Sect.D, 67, 2011
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4MUR
 | | Crystal structure of vancomycin resistance D,D-dipeptidase/D,D-pentapeptidase VanXYc D59S mutant | | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, D,D-dipeptidase/D,D-carboxypeptidase, ... | | Authors: | Stogios, P.J, Evdokimova, E, Meziane-Cherif, D, Di Leo, R, Yim, V, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-09-23 | | Release date: | 2013-10-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural basis for the evolution of vancomycin resistance D,D-peptidases.
Proc.Natl.Acad.Sci.USA, 111, 2014
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3ZPO
 | | Crystal structure of JmjC domain of human histone demethylase UTY with bound GSK J1 | | Descriptor: | 1,2-ETHANEDIOL, 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, FE (II) ION, ... | | Authors: | Vollmar, M, Gileadi, C, Shrestha, L, Goubin, S, Johansson, C, Krojer, T, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | | Deposit date: | 2013-02-28 | | Release date: | 2013-05-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Human Uty(Kdm6C) is a Male-Specific Nepislon-Methyl Lysyl Demethylase.
J.Biol.Chem., 289, 2014
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7ZM8
 | | CryoEM structure of mitochondrial complex I from Chaetomium thermophilum (inhibited by DDM) - membrane arm | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ... | | Authors: | Laube, E, Kuehlbrandt, W. | | Deposit date: | 2022-04-19 | | Release date: | 2022-11-30 | | Last modified: | 2022-12-07 | | Method: | ELECTRON MICROSCOPY (2.76 Å) | | Cite: | Conformational changes in mitochondrial complex I of the thermophilic eukaryote Chaetomium thermophilum.
Sci Adv, 8, 2022
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3E7I
 | | Structure of murine inos oxygenase domain with inhibitor AR-C94864 | | Descriptor: | (2R)-5-FLUORO-2-(2-THIENYL)-1,2-DIHYDROQUINAZOLIN-4-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-08-18 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
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7ZMH
 | | CryoEM structure of mitochondrial complex I from Chaetomium thermophilum (state 1) - membrane arm | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ... | | Authors: | Laube, E, Kuehlbrandt, W. | | Deposit date: | 2022-04-19 | | Release date: | 2022-11-30 | | Last modified: | 2022-12-07 | | Method: | ELECTRON MICROSCOPY (2.47 Å) | | Cite: | Conformational changes in mitochondrial complex I of the thermophilic eukaryote Chaetomium thermophilum.
Sci Adv, 8, 2022
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3E6L
 | | Structure of murine INOS oxygenase domain with inhibitor AR-C132283 | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, Nitric oxide synthase, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-08-15 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
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7ZM7
 | | CryoEM structure of mitochondrial complex I from Chaetomium thermophilum (inhibited by DDM) | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ... | | Authors: | Laube, E, Kuehlbrandt, W. | | Deposit date: | 2022-04-19 | | Release date: | 2022-11-30 | | Last modified: | 2022-12-07 | | Method: | ELECTRON MICROSCOPY (2.77 Å) | | Cite: | Conformational changes in mitochondrial complex I of the thermophilic eukaryote Chaetomium thermophilum.
Sci Adv, 8, 2022
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4EIQ
 | | Chromopyrrolic acid-soaked RebC-10x with bound 7-carboxy-K252c | | Descriptor: | (5S)-7-oxo-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5-carboxylic acid, Putative FAD-monooxygenase | | Authors: | Goldman, P.J, Ryan, K.S, Howard-Jones, A.R, Hamill, M.J, Elliott, S.J, Walsh, C.T, Drennan, C.L. | | Deposit date: | 2012-04-05 | | Release date: | 2012-08-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | An Unusual Role for a Mobile Flavin in StaC-like Indolocarbazole Biosynthetic Enzymes.
Chem.Biol., 19, 2012
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7ZME
 | | CryoEM structure of mitochondrial complex I from Chaetomium thermophilum (state 2) - membrane arm | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ... | | Authors: | Laube, E, Kuehlbrandt, W. | | Deposit date: | 2022-04-19 | | Release date: | 2022-11-30 | | Last modified: | 2022-12-07 | | Method: | ELECTRON MICROSCOPY (2.83 Å) | | Cite: | Conformational changes in mitochondrial complex I of the thermophilic eukaryote Chaetomium thermophilum.
Sci Adv, 8, 2022
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7ZDM
 | | Complex I from Ovis aries at pH5.5, Closed state | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | Authors: | Sazanov, L, Petrova, O. | | Deposit date: | 2022-03-29 | | Release date: | 2022-09-21 | | Last modified: | 2022-10-05 | | Method: | ELECTRON MICROSCOPY (3.44 Å) | | Cite: | A universal coupling mechanism of respiratory complex I.
Nature, 609, 2022
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4CAM
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((3-Fluorophenethylamino)methyl)quinolin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[2-(3-fluorophenyl)ethylamino]methyl]quinolin-2-amine, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2013-10-08 | | Release date: | 2014-02-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Simplified 2-Aminoquinoline-Based Scaffold for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition.
J.Med.Chem., 57, 2014
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7ZEB
 | | Complex I from Ovis aries at pH9, Closed state | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ADENOSINE MONOPHOSPHATE, ... | | Authors: | Sazanov, L, Petrova, O. | | Deposit date: | 2022-03-30 | | Release date: | 2022-09-21 | | Last modified: | 2022-10-05 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | A universal coupling mechanism of respiratory complex I.
Nature, 609, 2022
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7ZDP
 | | Complex I from Ovis aries at pH9, Open state | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ADENOSINE MONOPHOSPHATE, Acyl carrier protein, ... | | Authors: | Sazanov, L, Petrova, O. | | Deposit date: | 2022-03-29 | | Release date: | 2022-09-21 | | Last modified: | 2022-10-05 | | Method: | ELECTRON MICROSCOPY (3.88 Å) | | Cite: | A universal coupling mechanism of respiratory complex I.
Nature, 609, 2022
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5U6B
 | | Structure of the Axl kinase domain in complex with a macrocyclic inhibitor | | Descriptor: | (10R)-7-amino-11-chloro-12-fluoro-1-(2-hydroxyethyl)-3,10,16-trimethyl-16,17-dihydro-1H-8,4-(azeno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one, Tyrosine-protein kinase receptor UFO | | Authors: | Gajiwala, K.S, Grodsky, N. | | Deposit date: | 2016-12-07 | | Release date: | 2017-07-26 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | The Axl kinase domain in complex with a macrocyclic inhibitor offers first structural insights into an active TAM receptor kinase.
J. Biol. Chem., 292, 2017
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4MUB
 | | Schistosoma mansoni (Blood Fluke) Sulfotransferase/Oxamniquine Complex | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase, {(2S)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol | | Authors: | Valentim, C.L.L, Cioli, D, Chevalier, F.D, Cao, X, Taylor, A.B, Holloway, S.P, Pica-Mattoccia, L, Guidi, A, Basso, A, Tsai, I.J, Berriman, M, Carvalho-Queiroz, C, Almeida, M, Aguilar, H, Frantz, D.E, Hart, P.J, Anderson, T.J.C, LoVerde, P.T. | | Deposit date: | 2013-09-21 | | Release date: | 2013-12-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Genetic and molecular basis of drug resistance and species-specific drug action in schistosome parasites.
Science, 342, 2013
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3OJ8
 | | Alpha-Ketoheterocycle Inhibitors of Fatty Acid Amide Hydrolase Containing Additional Conformational Contraints in the Acyl Side Chain | | Descriptor: | (S)-[(2S)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl](5-pyridin-2-yl-1,3-oxazol-2-yl)methanol, CHLORIDE ION, Fatty-acid amide hydrolase 1 | | Authors: | Mileni, M, Stevens, R.C, Boger, D.L. | | Deposit date: | 2010-08-20 | | Release date: | 2011-07-06 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | alpha-Ketoheterocycle Inhibitors of Fatty Acid Amide Hydrolase Containing Additional Conformational Contraints in the Acyl Side Chain
J.Med.Chem., 54, 2011
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7ZDJ
 | | Complex I from Ovis aries at pH5.5, Open state | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Acyl carrier protein, Complex I subunit B13, ... | | Authors: | Petrova, O, Sazanov, L. | | Deposit date: | 2022-03-29 | | Release date: | 2022-09-21 | | Last modified: | 2022-10-05 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | A universal coupling mechanism of respiratory complex I.
Nature, 609, 2022
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7ZD6
 | | Complex I from Ovis aries, at pH7.4, Open state | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | Authors: | Sazanov, L, Petrova, O. | | Deposit date: | 2022-03-29 | | Release date: | 2022-09-21 | | Last modified: | 2022-10-05 | | Method: | ELECTRON MICROSCOPY (3.16 Å) | | Cite: | A universal coupling mechanism of respiratory complex I.
Nature, 609, 2022
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6QA9
 | | Isolated complex I class refinement from Ovine respiratory supercomplex I+III2 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Acyl carrier protein, ... | | Authors: | Letts, J.A, Sazanov, L.A. | | Deposit date: | 2018-12-19 | | Release date: | 2019-08-21 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structures of Respiratory Supercomplex I+III2Reveal Functional and Conformational Crosstalk.
Mol.Cell, 75, 2019
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6QC8
 | | Ovine respiratory complex I FRC open class 2 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Acyl carrier protein, ... | | Authors: | Letts, J.A, Sazanov, L.A. | | Deposit date: | 2018-12-27 | | Release date: | 2019-08-21 | | Last modified: | 2019-10-02 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structures of Respiratory Supercomplex I+III2Reveal Functional and Conformational Crosstalk.
Mol.Cell, 75, 2019
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