6O10
 
 | | E. coli cysteine desulfurase SufS | | Descriptor: | CHLORIDE ION, Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Dunkle, J.A, Frantom, P.A. | | Deposit date: | 2019-02-17 | | Release date: | 2019-06-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Direct observation of intermediates in the SufS cysteine desulfurase reaction reveals functional roles of conserved active-site residues.
J.Biol.Chem., 294, 2019
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5RFP
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102190 | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide | | Authors: | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | | Deposit date: | 2020-03-15 | | Release date: | 2020-03-25 | | Last modified: | 2021-02-24 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
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3HPH
 | | Closed tetramer of Visna virus integrase (residues 1-219) in complex with LEDGF IBD | | Descriptor: | GLYCEROL, Integrase, PC4 and SFRS1-interacting protein, ... | | Authors: | Hare, S, Wang, J, Cherepanov, P. | | Deposit date: | 2009-06-04 | | Release date: | 2009-07-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Structural basis for functional tetramerization of lentiviral integrase
Plos Pathog., 5, 2009
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5RGQ
 | | PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1849009686 (Mpro-x1086) | | Descriptor: | 1-(4-fluoro-2-methylphenyl)methanesulfonamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | | Deposit date: | 2020-04-07 | | Release date: | 2020-04-15 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
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4UYF
 | | N-Terminal bromodomain of Human BRD2 with I-BET726 (GSK1324726A) | | Descriptor: | 1,2-ETHANEDIOL, 4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid, BROMODOMAIN-CONTAINING PROTEIN 2, ... | | Authors: | Chung, C, Bamborough, P, Gosmini, R. | | Deposit date: | 2014-08-31 | | Release date: | 2014-10-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The Discovery of I-Bet726 (Gsk1324726A), a Potent Tetrahydroquinoline Apoa1 Up-Regulator and Selective Bet Bromodomain Inhibitor.
J.Med.Chem., 57, 2014
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6TVB
 | | Crystal structure of the haemagglutinin from a transmissible H10N7 seal influenza virus isolated in Netherland in complex with human receptor analogue 6'-SLN | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ... | | Authors: | Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J. | | Deposit date: | 2020-01-09 | | Release date: | 2020-10-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
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6U2G
 | | BRAF-MEK complex with AMP-PCP bound to BRAF | | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | Authors: | Liau, N.P.D, Wendorff, T, Hymowitz, S, Sudhamsu, J. | | Deposit date: | 2019-08-19 | | Release date: | 2019-08-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.886 Å) | | Cite: | Negative regulation of RAF kinase activity by ATP is overcome by 14-3-3-induced dimerization.
Nat.Struct.Mol.Biol., 27, 2020
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6Z7J
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5LBA
 | | Crystal structure of human RECQL5 helicase in complex with DSPL fragment(1-cyclohexyl-3-(oxolan-2-ylmethyl)urea, SGC - Diamond XChem I04-1 fragment screening. | | Descriptor: | 1-cyclohexyl-3-[[(2~{R})-oxolan-2-yl]methyl]urea, ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase Q5, ... | | Authors: | Newman, J.A, Aitkenhead, H, Talon, R, Savitsky, P, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-06-15 | | Release date: | 2016-07-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of human RECQL5 helicase in complex with 3D fragment (1-cyclohexyl-3-(oxolan-2-ylmethyl)urea)
To be published
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6Z7H
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6Z7I
 | | Crystal structure of CTX-M-15 E166Q mutant apoenzyme | | Descriptor: | Beta-lactamase, GLYCEROL, SULFATE ION | | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | | Deposit date: | 2020-05-31 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition.
Mbio, 2022
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6Z8Z
 | | Copper transporter OprC | | Descriptor: | Putative copper transport outer membrane porin OprC | | Authors: | Bhamidimarri, S.P, van den Berg, B. | | Deposit date: | 2020-06-02 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Acquisition of ionic copper by the bacterial outer membrane protein OprC through a novel binding site.
Plos Biol., 19, 2021
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3HQO
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6HYS
 | | Crystal structure of DHX8 helicase domain bound to ADP at 2.6 angstrom | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Felisberto-Rodrigues, C, Thomas, J.C, McAndrew, P.C, Le Bihan, Y.V, Burke, R, Workman, P, van Montfort, R.L.M. | | Deposit date: | 2018-10-22 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural and functional characterisation of human RNA helicase DHX8 provides insights into the mechanism of RNA-stimulated ADP release.
Biochem.J., 476, 2019
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3HSW
 | | Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with 2-methoxycyclohexa-2-5-diene-1,4-dione | | Descriptor: | 2-methoxycyclohexa-2,5-diene-1,4-dione, CALCIUM ION, Phospholipase A2, ... | | Authors: | Dileep, K.V, Tintu, I, Karthe, P, Mandal, P.K, Haridas, M, Sadasivan, C. | | Deposit date: | 2009-06-11 | | Release date: | 2009-06-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of porcine pancreatic phospholipase A2 in complex with 2-methoxycyclohexa-2-5-diene-1,4-dione
Frontiers in life sci., 2012
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6Z7K
 | | Crystal structure of CTX-M-15 in complex with the imine form of hydrolysed tazobactam | | Descriptor: | (2~{S},3~{S})-3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-3-methyl-2-[(~{E})-3-oxidanylidenepropylideneamino]-4-(1,2,3-triaz ol-1-yl)butanoic acid, Beta-lactamase, CHLORIDE ION, ... | | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | | Deposit date: | 2020-05-31 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition.
Mbio, 2022
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6Z8Y
 | | Copper transporter OprC | | Descriptor: | Putative copper transport outer membrane porin OprC | | Authors: | Bhamidimarri, S.P, van den Berg, B. | | Deposit date: | 2020-06-02 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Acquisition of ionic copper by the bacterial outer membrane protein OprC through a novel binding site.
Plos Biol., 19, 2021
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5KSP
 | | hMiro1 C-domain GDP Complex C2221 Crystal Form | | Descriptor: | CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, Mitochondrial Rho GTPase 1 | | Authors: | Klosowiak, J.L, Focia, P.J, Rice, S.E, Freymann, D.M. | | Deposit date: | 2016-07-08 | | Release date: | 2016-09-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.162 Å) | | Cite: | Structural insights into Parkin substrate lysine targeting from minimal Miro substrates.
Sci Rep, 6, 2016
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6O9D
 | | Structure of the IRAK4 kinase domain with compound 5 | | Descriptor: | Interleukin-1 receptor-associated kinase 4, N-{7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide | | Authors: | Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J. | | Deposit date: | 2019-03-13 | | Release date: | 2019-05-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.
J.Med.Chem., 62, 2019
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2LDX
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8TJ5
 | | Inner spoke ring of the yeast NPC | | Descriptor: | Nucleoporin 59, Nucleoporin NIC96, Nucleoporin NSP1, ... | | Authors: | Akey, C.W, Echeverria, I, Ouch, C, Fernandez-Martinez, J, Rout, M.P. | | Deposit date: | 2023-07-20 | | Release date: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (6.6 Å) | | Cite: | Implications of a multiscale structure of the yeast nuclear pore complex.
Mol.Cell, 83, 2023
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5XMS
 | | Plasmodium vivax SHMT bound with PLP-glycine and GS498 | | Descriptor: | (4~{S})-6-azanyl-4-[3-(2-fluorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5- carbonitrile, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F. | | Deposit date: | 2017-05-16 | | Release date: | 2017-11-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs
Chemistry, 23, 2017
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6Z9N
 | | Copper transporter OprC | | Descriptor: | COPPER (II) ION, Putative copper transport outer membrane porin OprC | | Authors: | Bhamidimarri, S.P, van den Berg, B. | | Deposit date: | 2020-06-04 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Acquisition of ionic copper by the bacterial outer membrane protein OprC through a novel binding site.
Plos Biol., 19, 2021
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5XMP
 | | Plasmodium vivax SHMT(C346A) bound with PLP-glycine and MF057 | | Descriptor: | 4-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{N}-methyl-~{N}-[2,2,2-tris(fluoranyl)ethyl]benzenesulfonamide, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F. | | Deposit date: | 2017-05-16 | | Release date: | 2017-11-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs
Chemistry, 23, 2017
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4WHB
 | | Crystal structure of phenylurea hydrolase B | | Descriptor: | Phenylurea hydrolase B, ZINC ION | | Authors: | Sugrue, E, Carr, P.D, Khurana, J.L, Jackson, C.J. | | Deposit date: | 2014-09-21 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.958 Å) | | Cite: | Evolutionary Expansion of the Amidohydrolase Superfamily in Bacteria in Response to the Synthetic Compounds Molinate and Diuron.
Appl.Environ.Microbiol., 81, 2015
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