PDB: 46984 resultsInfo pagesStatus searchChemie searchBIRD

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3HHS	Crystal Structure of Manduca sexta prophenoloxidase Descriptor: COPPER (II) ION, Phenoloxidase subunit 1, Phenoloxidase subunit 2 Authors: Li, Y, Wang, Y, Jiang, H, Deng, J. Deposit date: 2009-05-17 Release date: 2009-09-29 Last modified: 2017-11-01 Method: X-RAY DIFFRACTION (1.97 Å) Cite: Crystal structure of Manduca sexta prophenoloxidase provides insights into the mechanism of type 3 copper enzymes. Proc.Natl.Acad.Sci.USA, 106, 2009
4ZTH	Structure of human p38aMAPK-arylpyridazinylpyridine fragment complex used in inhibitor discovery Descriptor: 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, 6-chloro-3-phenyl-4-(pyridin-4-yl)pyridazine, BETA-MERCAPTOETHANOL, ... Authors: Grum-Tokars, V.L, Roy, S.M, Watterson, D.M. Deposit date: 2015-05-14 Release date: 2016-06-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.15 Å) Cite: A Selective and Brain Penetrant p38 alpha MAPK Inhibitor Candidate for Neurologic and Neuropsychiatric Disorders That Attenuates Neuroinflammation and Cognitive Dysfunction. J.Med.Chem., 62, 2019
4XRZ	Human Cytochrome P450 2D6 BACE1 Inhibitor 6 Complex Descriptor: (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Cytochrome P450 2D6, GLYCEROL, ... Authors: Johnson, E.F, Fan, Y. Deposit date: 2015-01-21 Release date: 2015-05-20 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug-Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors. J.Med.Chem., 58, 2015
5ARI	Bovine mitochondrial ATP synthase state 2b Descriptor: ATP SYNTHASE F(0) COMPLEX SUBUNIT B1, MITOCHONDRIAL, ATP SYNTHASE F(0) COMPLEX SUBUNIT C1, ... Authors: Zhou, A, Rohou, A, Schep, D.G, Bason, J.V, Montgomery, M.G, Walker, J.E, Grigorieff, N, Rubinstein, J.L. Deposit date: 2015-09-24 Release date: 2015-10-14 Last modified: 2024-05-08 Method: ELECTRON MICROSCOPY (7.4 Å) Cite: Structure and conformational states of the bovine mitochondrial ATP synthase by cryo-EM. Elife, 4, 2015
6B82	Zebra Fish CYP-450 17A1 Mutant Abiraterone Complex Descriptor: ACETATE ION, Abiraterone, CHLORIDE ION, ... Authors: Pallan, P.S, Egli, M. Deposit date: 2017-10-05 Release date: 2017-12-13 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (3.03 Å) Cite: Inherent steroid 17 alpha ,20-lyase activity in defunct cytochrome P450 17A enzymes. J. Biol. Chem., 293, 2018
5ARE	Bovine mitochondrial ATP synthase state 1b Descriptor: ATP SYNTHASE F(0) COMPLEX SUBUNIT B1, MITOCHONDRIAL, ATP SYNTHASE F(0) COMPLEX SUBUNIT C1, ... Authors: Zhou, A, Rohou, A, Schep, D.G, Bason, J.V, Montgomery, M.G, Walker, J.E, Grigorieff, N, Rubinstein, J.L. Deposit date: 2015-09-24 Release date: 2015-10-14 Last modified: 2024-05-08 Method: ELECTRON MICROSCOPY (6.7 Å) Cite: Structure and conformational states of the bovine mitochondrial ATP synthase by cryo-EM. Elife, 4, 2015
3NCL	Crystal Structure of MT-SP1 bound to Benzamidine Phosphonate Inhibitor Descriptor: FORMIC ACID, Suppressor of tumorigenicity 14 protein, phenyl (4-carbamimidoylbenzyl)phosphonate Authors: Ray, M, Brown, C, Egea, P. Deposit date: 2010-06-04 Release date: 2011-02-16 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.19 Å) Cite: Peptide length and leaving-group sterics influence potency of Peptide phosphonate protease inhibitors. Chem.Biol., 18, 2011
3IZZ	Models for ribosome components that are nearest neighbors to the bovine mitochondrial initiation factor2 bound to the E. Coli ribosome Descriptor: Helix 18 (Small Subunit), Helix 44 (Small Subunit), Helix 5, ... Authors: Yassin, A.S, Haque, E, Datta, P.P, Elmore, K, Banavali, N.K, Spremulli, L.L, Agrawal, R.K. Deposit date: 2011-01-20 Release date: 2011-03-30 Last modified: 2024-02-21 Method: ELECTRON MICROSCOPY (10.8 Å) Cite: Insertion domain within mammalian mitochondrial translation initiation factor 2 serves the role of eubacterial initiation factor 1. Proc.Natl.Acad.Sci.USA, 108, 2011
3J0J	Fitted atomic models of Thermus thermophilus V-ATPase subunits into cryo-EM map Descriptor: ADENOSINE-5'-DIPHOSPHATE, V-type ATP synthase alpha chain, V-type ATP synthase beta chain, ... Authors: Lau, W.C.Y, Rubinstein, J.L. Deposit date: 2011-08-24 Release date: 2011-12-14 Last modified: 2018-07-18 Method: ELECTRON MICROSCOPY (9.7 Å) Cite: Subnanometre-resolution structure of the intact Thermus thermophilus H+-driven ATP synthase. Nature, 481, 2012
3JAS	Cryo-EM structure of dynamic GDP-microtubule (14 protofilaments) decorated with kinesin Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... Authors: Zhang, R, Nogales, E. Deposit date: 2015-06-19 Release date: 2015-08-12 Last modified: 2024-02-21 Method: ELECTRON MICROSCOPY (3.5 Å) Cite: Mechanistic Origin of Microtubule Dynamic Instability and Its Modulation by EB Proteins. Cell(Cambridge,Mass.), 162, 2015
3JAT	Cryo-EM structure of GMPCPP-microtubule (14 protofilaments) decorated with kinesin Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ... Authors: Zhang, R, Nogales, E. Deposit date: 2015-06-20 Release date: 2015-08-12 Last modified: 2024-02-21 Method: ELECTRON MICROSCOPY (3.5 Å) Cite: Mechanistic Origin of Microtubule Dynamic Instability and Its Modulation by EB Proteins. Cell(Cambridge,Mass.), 162, 2015
6N61	Escherichia coli RNA polymerase sigma70-holoenzyme bound to upstream fork promoter DNA and Capistruin Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Capistruin, ... Authors: Braffman, N, Hauver, J, Campbell, E.A, Darst, S.A. Deposit date: 2018-11-24 Release date: 2019-01-09 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (3.253 Å) Cite: Structural mechanism of transcription inhibition by lasso peptides microcin J25 and capistruin. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6MJB	Structure of Candida glabrata Csm1:Dsn1(14-72) complex Descriptor: Kinetochore-associated protein DSN1, Monopolin complex subunit CSM1 Authors: Singh, N, Corbett, K.D. Deposit date: 2018-09-20 Release date: 2018-11-07 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.27 Å) Cite: The molecular basis of monopolin recruitment to the kinetochore. Chromosoma, 128, 2019
6CG2	Crystal Structure of KDM4A with Compound 8 Descriptor: 2-[5-(3-hydroxyphenyl)-1H-pyrazol-1-yl]pyridine-4-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ... Authors: Hosfield, D.J, Nie, Z. Deposit date: 2018-02-19 Release date: 2018-04-18 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.34 Å) Cite: Structure-based design and discovery of potent and selective KDM5 inhibitors. Bioorg. Med. Chem. Lett., 28, 2018
8F2K	Structure of yeast F1-ATPase determined with 100 micromolar cruentaren A Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP synthase subunit alpha, ATP synthase subunit beta, ... Authors: Guo, H, Rubinstein, J.L. Deposit date: 2022-11-08 Release date: 2023-04-05 Last modified: 2024-04-24 Method: ELECTRON MICROSCOPY (2.9 Å) Cite: CryoEM Structure with ATP Synthase Enables Late-Stage Diversification of Cruentaren A. Chemistry, 29, 2023
3UA5	Crystal Structure of P450 2B6 (Y226H/K262R) in complex with two molecules of Amlodipine Descriptor: Amlodipine, Cytochrome P450 2B6, PROTOPORPHYRIN IX CONTAINING FE Authors: Shah, M.B, Stout, C.D, Halpert, J.R. Deposit date: 2011-10-21 Release date: 2012-09-12 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Conformational Adaptation of Human Cytochrome P450 2B6 and Rabbit Cytochrome P450 2B4 Revealed upon Binding Multiple Amlodipine Molecules. Biochemistry, 51, 2012
4OVP	CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM SULFITOBACTER sp. NAS-14.1, TARGET EFI-510292, WITH BOUND ALPHA-D-MANURONATE Descriptor: C4-dicarboxylate transport system substrate-binding protein, alpha-D-mannopyranuronic acid Authors: Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) Deposit date: 2013-12-11 Release date: 2014-01-08 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015
6N60	Escherichia coli RNA polymerase sigma70-holoenzyme bound to upstream fork promoter DNA and Microcin J25 (MccJ25) Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... Authors: Braffman, N, Hauver, J, Campbell, E.A, Darst, S.A. Deposit date: 2018-11-23 Release date: 2019-01-09 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (3.68 Å) Cite: Structural mechanism of transcription inhibition by lasso peptides microcin J25 and capistruin. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
3TDA	Competitive replacement of thioridazine by prinomastat in crystals of cytochrome P450 2D6 Descriptor: Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, Prinomastat, ... Authors: Wang, A, Stout, C.D, Johnson, E.F. Deposit date: 2011-08-10 Release date: 2012-08-15 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.67 Å) Cite: Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding. J.Biol.Chem., 290, 2015
4OBJ	Crystal Structure of Inactive HIV-1 Protease in Complex with the p1-p6 substrate variant (S451N) Descriptor: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ... Authors: Kolli, M. Deposit date: 2014-01-07 Release date: 2014-11-26 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.75 Å) Cite: HIV-1 protease-substrate coevolution in nelfinavir resistance. J.Virol., 88, 2014
4OBD	Crystal Structure of Nelfinavir-Resistant, Inactive HIV-1 Protease (D30N/N88D) in Complex with the p1-p6 substrate variant (L449F/S451N) Descriptor: 1,2-ETHANEDIOL, GLYCEROL, HIV-1 Protease, ... Authors: Kolli, M. Deposit date: 2014-01-07 Release date: 2014-11-26 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.9 Å) Cite: HIV-1 protease-substrate coevolution in nelfinavir resistance. J.Virol., 88, 2014
4OBK	Crystal structure of inactive HIV-1 protease in complex with the P1-P6 substrate variant (L449F/S451N) Descriptor: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ... Authors: Kolli, M. Deposit date: 2014-01-07 Release date: 2014-11-26 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.65 Å) Cite: HIV-1 protease-substrate coevolution in nelfinavir resistance. J.Virol., 88, 2014
2WSS	The structure of the membrane extrinsic region of bovine ATP synthase Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP SYNTHASE SUBUNIT ALPHA, MITOCHONDRIAL, ... Authors: Rees, D.M, Leslie, A.G.W, Walker, J.E. Deposit date: 2009-09-09 Release date: 2009-11-17 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (3.2 Å) Cite: The Structure of the Membrane Extrinsic Region of Bovine ATP Synthase Proc.Natl.Acad.Sci.USA, 106, 2009
4P1B	CRYSTAL STRUCTURE OF THE TOLUENE 4-MONOOXYGENASE HYDROXYLASE-FERREDOXIN C7S E16C C84A C85A VARIANT ELECTRON-TRANSFER COMPLEX Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, FE (III) ION, ... Authors: Acheson, J.F, Fox, B.G. Deposit date: 2014-02-25 Release date: 2014-10-01 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Structural basis for biomolecular recognition in overlapping binding sites in a diiron enzyme system. Nat Commun, 5, 2014
6NE0	Structure of double-stranded target DNA engaged Csy complex from Pseudomonas aeruginosa (PA-14) Descriptor: CRISPR RNA (60-MER), CRISPR target DNA (44-MER), CRISPR-associated endonuclease Cas6/Csy4, ... Authors: Chowdhury, S, Rollins, M.F, Carter, J, Golden, S.M, Miettinen, H.M, Santiago-Frangos, A, Faith, D, Lawrence, M.C, Wiedenheft, B, Lander, G.C. Deposit date: 2018-12-15 Release date: 2018-12-26 Last modified: 2024-03-13 Method: ELECTRON MICROSCOPY (3.4 Å) Cite: Structure Reveals a Mechanism of CRISPR-RNA-Guided Nuclease Recruitment and Anti-CRISPR Viral Mimicry. Mol. Cell, 74, 2019

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