PDB: 46006 resultsInfo pagesStatus searchChemie searchBIRD

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5GGA	Crystal structure of Mycobacterium smegmatis MutT1 in complex with 8-oxo-GDP, 8-oxo-GMP and pyrophosphate Descriptor: Hydrolase, NUDIX family protein, MAGNESIUM ION, ... Authors: Arif, S.M, Patil, A.G, Varshney, U, Vijayan, M. Deposit date: 2016-06-15 Release date: 2017-04-19 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Biochemical and structural studies of Mycobacterium smegmatis MutT1, a sanitization enzyme with unusual modes of association Acta Crystallogr D Struct Biol, 73, 2017
4NL3	Crystal Structure of Listeria monocytogenes Hfq in complex with U6 RNA Descriptor: 5'-R(*UP*UP*UP*UP*UP*U)-3', Protein hfq Authors: Kovach, A.R, Brennan, R.G. Deposit date: 2013-11-13 Release date: 2014-09-10 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (3.1 Å) Cite: Recognition of U-rich RNA by Hfq from the Gram-positive pathogen Listeria monocytogenes. Rna, 20, 2014
5GGD	Crystal structure of Mycobacterium smegmatis MutT1 in complex with phosphate and magnesium ions (excess magnesium, II) Descriptor: Hydrolase, NUDIX family protein, MAGNESIUM ION, ... Authors: Arif, S.M, Patil, A.G, Varshney, U, Vijayan, M. Deposit date: 2016-06-15 Release date: 2017-04-19 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Biochemical and structural studies of Mycobacterium smegmatis MutT1, a sanitization enzyme with unusual modes of association Acta Crystallogr D Struct Biol, 73, 2017
7MLK	Crystal structure of human PI3Ka (p110a subunit) with MMV085400 bound to the active site determined at 2.9 angstroms resolution Descriptor: 4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform Authors: Krake, S.H, Martinez, P.D.G, Poggi, M.L, Ferreira, M.S, Aguiar, A.C.C, Souza, G.E, Wenlock, M, Jones, B, Steinbrecher, T, Day, T, McPhail, J, Burke, J, Yeo, T, Mok, S, Uhlemann, A.C, Fidock, D.A, Chen, P, Grodsky, N, Deng, Y.L, Guido, R.V.C, Campbell, S.F, Willis, P.A, Dias, L.C. Deposit date: 2021-04-28 Release date: 2022-05-04 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.91 Å) Cite: Discovery of 2,6-disubstituted pyrazines as potent PI4K inhibitors with antimalarial activity To Be Published
8JYH	Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with laccaic acid C Descriptor: 7-[5-[(2~{S})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]-2-oxidanyl-phenyl]-3,5,6,8-tetrakis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-1,2-dicarboxylic acid, MANGANESE (II) ION, Pol protein,Pol protein,HIV-1 Reverse Transcriptase RNase H active domain, ... Authors: Ito, Y, Lu, H, Kitajima, M, Ishikawa, H, Nakata, Y, Iwatani, Y, Hoshino, T. Deposit date: 2023-07-03 Release date: 2023-08-16 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.21 Å) Cite: Sticklac-Derived Natural Compounds Inhibiting RNase H Activity of HIV-1 Reverse Transcriptase. J.Nat.Prod., 86, 2023
8JYJ	Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with laccaic acid A Descriptor: 7-[5-(2-acetamidoethyl)-2-oxidanyl-phenyl]-3,5,6,8-tetrakis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-1,2-dicarboxylic acid, MANGANESE (II) ION, Pol protein,Pol protein,HIV-1 Reverse Transcriptase RNase H active domain, ... Authors: Ito, Y, Lu, H, Kitajima, M, Ishikawa, H, Nakata, Y, Iwatani, Y, Hoshino, T. Deposit date: 2023-07-03 Release date: 2023-08-16 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.01 Å) Cite: Sticklac-Derived Natural Compounds Inhibiting RNase H Activity of HIV-1 Reverse Transcriptase. J.Nat.Prod., 86, 2023
4O01	Crystal Structure of D. radiodurans Bacteriophytochrome Photosensory Core Module in its Illuminated Form Descriptor: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome Authors: Takala, H, Ihalainen, J.A, Westenhoff, S. Deposit date: 2013-12-13 Release date: 2014-05-07 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (3.24 Å) Cite: Signal amplification and transduction in phytochrome photosensors Nature, 509, 2014
8JYI	Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with laccaic acid E Descriptor: 7-[5-(2-azanylethyl)-2-oxidanyl-phenyl]-3,5,6,8-tetrakis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-1,2-dicarboxylic acid, MANGANESE (II) ION, Pol protein,Pol protein,Ribonuclease H, ... Authors: Ito, Y, Lu, H, Kitajima, M, Ishikawa, H, Nakata, Y, Iwatani, Y, Hoshino, T. Deposit date: 2023-07-03 Release date: 2023-08-16 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.92 Å) Cite: Sticklac-Derived Natural Compounds Inhibiting RNase H Activity of HIV-1 Reverse Transcriptase. J.Nat.Prod., 86, 2023
5GJK	Crystal Structure of BAF47 and BAF155 Complex Descriptor: GLYCEROL, PHOSPHATE ION, SWI/SNF complex subunit SMARCC1, ... Authors: Yan, L, Qian, C. Deposit date: 2016-06-30 Release date: 2017-06-07 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.052 Å) Cite: Structural Insights into BAF47 and BAF155 Complex Formation. J. Mol. Biol., 429, 2017
5GQD	Crystal structure of covalent glycosyl-enzyme intermediate of xylanase mutant (T82A, N127S, and E128H) from Streptomyces olivaceoviridis E-86 Descriptor: Beta-xylanase, GLYCEROL, beta-D-xylopyranose-(1-4)-alpha-D-xylopyranose Authors: Suzuki, R, Fujimoto, Z, Kaneko, S, Kuno, A. Deposit date: 2016-08-07 Release date: 2017-08-09 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Azidolysis by the Formation of Stable Ser-His Catalytic Dyad in a Glycoside Hydrolase Family 10 Xylanase Mutant J.Appl.Glyosci., 65, 2019
4ORC	Crystal structure of mammalian calcineurin Descriptor: CALCIUM ION, Calcineurin subunit B type 1, FE (III) ION, ... Authors: Ma, L, Li, S.J, Wang, J, Wu, J.W, Wang, Z.X. Deposit date: 2014-02-11 Release date: 2015-05-20 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Cooperative autoinhibition and multi-level activation mechanisms of calcineurin To be Published
6VBU	Structure of the bovine BBSome complex Descriptor: BBS1 domain-containing protein, Bardet-Biedl syndrome 18 protein, Bardet-Biedl syndrome 2 protein homolog, ... Authors: Singh, S.K, Gui, M, Koh, F, Yip, M.C.J, Brown, A. Deposit date: 2019-12-19 Release date: 2020-01-29 Last modified: 2024-03-06 Method: ELECTRON MICROSCOPY (3.1 Å) Cite: Structure and activation mechanism of the BBSome membrane protein trafficking complex. Elife, 9, 2020
5UJD	SbnI from Staphylococcus pseudintermedius Descriptor: FORMIC ACID, Siderophore biosynthesis protein SbnI Authors: Murphy, M.E.P, Verstraete, M.M. Deposit date: 2017-01-17 Release date: 2018-01-24 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.1 Å) Cite: The heme-sensitive regulator SbnI has a bifunctional role in staphyloferrin B production by Staphylococcus aureus . J.Biol.Chem., 294, 2019
8DML	Vibrio parahaemolyticus VtrA/VtrC complex bound to the bile salt chenodeoxycholate Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHENODEOXYCHOLIC ACID, ... Authors: Tomchick, D.R, Orth, K, Zou, A.J. Deposit date: 2022-07-08 Release date: 2023-06-14 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.08 Å) Cite: Molecular determinants for differential activation of the bile acid receptor from the pathogen Vibrio parahaemolyticus. J.Biol.Chem., 299, 2023
5T10	PelC dodecamer from Paraburkholderia phytofirmans, space group P6 Descriptor: Uncharacterized protein Authors: Marmont, L.S, Howell, P.L. Deposit date: 2016-08-17 Release date: 2017-03-15 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.4987 Å) Cite: Oligomeric lipoprotein PelC guides Pel polysaccharide export across the outer membrane of Pseudomonas aeruginosa. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
8DO6	The structure of S. epidermidis Cas10-Csm bound to target RNA Descriptor: CRISPR system Cms endoribonuclease Csm3, CRISPR system Cms protein Csm2, CRISPR system Cms protein Csm4, ... Authors: Paraan, M, Stagg, S.M, Dunkle, J.A. Deposit date: 2022-07-12 Release date: 2023-06-21 Last modified: 2024-06-12 Method: ELECTRON MICROSCOPY (3.1 Å) Cite: The structure of a Type III-A CRISPR-Cas effector complex reveals conserved and idiosyncratic contacts to target RNA and crRNA among Type III-A systems. Plos One, 18, 2023
5FPE	Structure of heat shock-related 70kDA protein 2 with small-molecule ligand 1H-1,2,4-triazol-3-amine (AT485) in an alternate binding site. Descriptor: 3-AMINO-1,2,4-TRIAZOLE, HEAT SHOCK-RELATED 70KDA PROTEIN 2 Authors: Jhoti, H, Ludlow, R.F, Patel, S, Saini, H.K, Tickle, I.J, Verdonk, M. Deposit date: 2015-11-28 Release date: 2015-12-23 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.96 Å) Cite: Detection of Secondary Binding Sites in Proteins Using Fragment Screening. Proc.Natl.Acad.Sci.USA, 112, 2015
7NH4	Co-Crystal Structure of Akt1 in Complex with Covalent-Allosteric Akt Inhibitor 3 Descriptor: ACETATE ION, RAC-alpha serine/threonine-protein kinase, ~{N}-[3-[1-[[4-[5-(hydroxymethyl)-3-phenyl-pyridin-2-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide Authors: Landel, I, Mueller, M.P, Rauh, D. Deposit date: 2021-02-10 Release date: 2021-09-08 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Cellular model system to dissect the isoform-selectivity of Akt inhibitors. Nat Commun, 12, 2021
7NH5	Co-Crystal Structure of Akt1 in Complex with Covalent-Allosteric Akt Inhibitor 6 Descriptor: ACETATE ION, RAC-alpha serine/threonine-protein kinase, ~{N}-methyl-6-[4-[[4-[2-oxidanylidene-6-(propanoylamino)-3~{H}-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-5-phenyl-pyridine-3-carboxamide Authors: Landel, I, Mueller, M.P, Rauh, D. Deposit date: 2021-02-10 Release date: 2021-09-08 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Cellular model system to dissect the isoform-selectivity of Akt inhibitors. Nat Commun, 12, 2021
6VBV	Structure of the bovine BBSome:ARL6:GTP complex Descriptor: ADP-ribosylation factor-like protein 6, BBS1 domain-containing protein, Bardet-Biedl syndrome 18 protein, ... Authors: Singh, S.K, Gui, M, Koh, F, Yip, M.C.J, Brown, A. Deposit date: 2019-12-19 Release date: 2020-01-29 Last modified: 2024-03-06 Method: ELECTRON MICROSCOPY (3.5 Å) Cite: Structure and activation mechanism of the BBSome membrane protein trafficking complex. Elife, 9, 2020
1LIB	THE ADIPOCYTE LIPID-BINDING PROTEIN AT 1.6 ANGSTROMS RESOLUTION: CRYSTAL STRUCTURES OF THE APOPROTEIN AND WITH BOUND SATURATED AND UNSATURATED FATTY ACIDS Descriptor: ADIPOCYTE LIPID-BINDING PROTEIN Authors: Zu, Z, Bernlohr, D.A, Banaszak, L.J. Deposit date: 1993-12-21 Release date: 1994-04-30 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.7 Å) Cite: The adipocyte lipid-binding protein at 1.6-A resolution. Crystal structures of the apoprotein and with bound saturated and unsaturated fatty acids. J.Biol.Chem., 268, 1993
5FPY	Structure of hepatitis C virus (HCV) full-length NS3 complex with small-molecule ligand 5-bromo-1-methyl-1H-indole-2-carboxylic acid (AT21457) in an alternate binding site. Descriptor: 5-bromo-1-methyl-1H-indole-2-carboxylic acid, SERINE PROTEASE NS3 Authors: Davies, T.G, Jhoti, H, Ludlow, R.F, Saini, H.K, Tickle, I.J, Verdonk, M. Deposit date: 2015-12-03 Release date: 2015-12-23 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.52 Å) Cite: Detection of Secondary Binding Sites in Proteins Using Fragment Screening. Proc.Natl.Acad.Sci.USA, 112, 2015
5FPD	Structure of heat shock-related 70kDA protein 2 with small-molecule ligand pyrazine-2-carboxamide (AT513) in an alternate binding site. Descriptor: HEAT SHOCK-RELATED 70KDA PROTEIN 2, PYRAZINE-2-CARBOXAMIDE Authors: Jhoti, H, Ludlow, R.F, Patel, S, Saini, H.K, Tickle, I.J, Verdonk, M. Deposit date: 2015-11-28 Release date: 2015-12-16 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.97 Å) Cite: Detection of Secondary Binding Sites in Proteins Using Fragment Screening. Proc.Natl.Acad.Sci.USA, 112, 2015
4OR9	Crystal structure of human calcineurin Descriptor: CALCIUM ION, Calcineurin subunit B type 1, FE (III) ION, ... Authors: Li, S.J, Wang, J, Wu, J.W, Wang, Z.X. Deposit date: 2014-02-11 Release date: 2015-05-20 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.23 Å) Cite: Cooperative autoinhibition and multi-level activation mechanisms of calcineurin To be Published
7NBW	Crystal structure of PqsR (MvfR) ligand-binding domain in complex with a pyridin agonist Descriptor: Transcriptional regulator MvfR, ~{N}-[3-(4-fluorophenyl)prop-2-ynyl]-2-(trifluoromethyl)pyridin-4-amine Authors: Schmelz, S, Blankenfeldt, W. Deposit date: 2021-01-28 Release date: 2021-10-06 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.28 Å) Cite: Divergent synthesis and biological evaluation of 2-(trifluoromethyl)pyridines as virulence-attenuating inverse agonists targeting PqsR. Eur.J.Med.Chem., 226, 2021

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