8QK9
 
 | | Structure of E. coli LpxH in complex with JEDI-1444 | | Descriptor: | 2-[methyl(methylsulfonyl)amino]-~{N}-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]benzamide, MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase | | Authors: | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | | Deposit date: | 2023-09-14 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria.
Proc.Natl.Acad.Sci.USA, 121, 2024
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2YDQ
 | | CpOGA D298N in complex with hOGA-derived O-GlcNAc peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BIFUNCTIONAL PROTEIN NCOAT, CADMIUM ION, ... | | Authors: | Schimpl, M, Borodkin, V.S, Gray, L.J, van Aalten, D.M.F. | | Deposit date: | 2011-03-24 | | Release date: | 2012-03-14 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Synergy of Peptide and Sugar in O-Glcnacase Substrate Recognition.
Chem.Biol., 19, 2012
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8QK5
 | | Structure of K. pneumoniae LpxH in complex with EBL-3647 | | Descriptor: | 5-[[3-(aminomethyl)azetidin-1-yl]methyl]-N-[4-[4-(4-cyano-6-methyl-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide, MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase | | Authors: | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | | Deposit date: | 2023-09-14 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8QJZ
 | | Crystal structure of E. coli LpxH in complex with lipid X | | Descriptor: | (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase | | Authors: | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | | Deposit date: | 2023-09-14 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria.
Proc.Natl.Acad.Sci.USA, 121, 2024
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2YDR
 | | CpOGA D298N in complex with p53-derived O-GlcNAc peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, CELLULAR TUMOR ANTIGEN P53, ... | | Authors: | Schimpl, M, Borodkin, V.S, Gray, L.J, van Aalten, D.M.F. | | Deposit date: | 2011-03-24 | | Release date: | 2012-03-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Synergy of Peptide and Sugar in O-Glcnacase Substrate Recognition.
Chem.Biol., 19, 2012
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8QKA
 | | Structure of K. pneumoniae LpxH in complex with JEDI-852 | | Descriptor: | 2-[methyl(methylsulfonyl)amino]-~{N}-(4-piperidin-1-ylsulfonylphenyl)benzamide, MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase | | Authors: | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | | Deposit date: | 2023-09-14 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria.
Proc.Natl.Acad.Sci.USA, 121, 2024
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7B36
 | | MST4 in complex with compound G-5555 | | Descriptor: | 1,2-ETHANEDIOL, 8-[(trans-5-amino-1,3-dioxan-2-yl)methyl]-6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, CHLORIDE ION, ... | | Authors: | Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-11-28 | | Release date: | 2020-12-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.10681081 Å) | | Cite: | Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors.
J.Med.Chem., 64, 2021
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5J4S
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7SRS
 | | 5-HT2B receptor bound to LSD in complex with beta-arrestin1 obtained by cryo-electron microscopy (cryoEM) | | Descriptor: | (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 2B, ... | | Authors: | Barros-Alvarez, X, Cao, C, Panova, O, Roth, B.L, Skiniotis, G. | | Deposit date: | 2021-11-08 | | Release date: | 2022-09-21 | | Last modified: | 2022-10-19 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Signaling snapshots of a serotonin receptor activated by the prototypical psychedelic LSD.
Neuron, 110, 2022
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7SRQ
 | | 5-HT2B receptor bound to LSD obtained by cryo-electron microscopy (cryoEM) | | Descriptor: | (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 2B | | Authors: | Barros-Alvarez, X, Cao, C, Panova, O, Roth, B.L, Skiniotis, G. | | Deposit date: | 2021-11-08 | | Release date: | 2022-09-21 | | Last modified: | 2022-10-19 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Signaling snapshots of a serotonin receptor activated by the prototypical psychedelic LSD.
Neuron, 110, 2022
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7SRR
 | | 5-HT2B receptor bound to LSD in complex with heterotrimeric mini-Gq protein obtained by cryo-electron microscopy (cryoEM) | | Descriptor: | (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, 5-hydroxytryptamine receptor 2B, G protein subunit q (Gi2-mini-Gq chimera), ... | | Authors: | Barros-Alvarez, X, Kim, K, Panova, O, Cao, C, Roth, B.L, Skiniotis, G. | | Deposit date: | 2021-11-08 | | Release date: | 2022-09-21 | | Last modified: | 2022-10-19 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Signaling snapshots of a serotonin receptor activated by the prototypical psychedelic LSD.
Neuron, 110, 2022
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5J4Q
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2NA8
 | | Transmembrane Structure of the Cytokine Receptor Common Subunit beta | | Descriptor: | Cytokine receptor common subunit beta | | Authors: | Schmidt, T, Ye, F, Situ, A.J, An, W, Ginsberg, M.H, Ulmer, T.S. | | Deposit date: | 2015-12-21 | | Release date: | 2016-07-06 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | A Conserved Ectodomain-Transmembrane Domain Linker Motif Tunes the Allosteric Regulation of Cell Surface Receptors.
J.Biol.Chem., 291, 2016
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3P0C
 | | Nischarin PX-domain | | Descriptor: | GLYCEROL, Nischarin | | Authors: | Schutz, P, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Persson, C, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Der Berg, S, Wahlberg, E, Welin, M, Weigelt, J, Nordlund, P, Schuler, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-09-28 | | Release date: | 2010-10-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.273 Å) | | Cite: | Crystal structure of Nischarin PX-domain
to be published
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7A8P
 | | Structure of human mitochondrial RNA polymerase in complex with IMT inhibitor. | | Descriptor: | (3~{R})-1-[(2~{R})-2-[4-(2-chloranyl-4-fluoranyl-phenyl)-2-oxidanylidene-chromen-7-yl]oxypropanoyl]piperidine-3-carboxylic acid, DNA-directed RNA polymerase, mitochondrial | | Authors: | Hillen, H.S, Bonekamp, N, Peter, B, Felser, A, Bergbrede, T, Choidas, A, Horn, M, Unger, A, di Lucrezia, R, Atanassov, I, Li, X, Koch, U, Menninger, S, Boros, J, Habenberger, P, Giavalisco, P, Cramer, P, Denzel, M, Nussbaumer, P, Klebl, B, Falkenberg, M, Gustafsson, C.M, Larsson, N.G. | | Deposit date: | 2020-08-30 | | Release date: | 2020-12-30 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Small-molecule inhibitors of human mitochondrial DNA transcription.
Nature, 588, 2020
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7P3D
 | | MHC I A02 Allele presenting YLQPRTFLL | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Beta-2-microglobulin, ... | | Authors: | Rizkallah, P.J, Sewell, A.K, Wall, A, Fuller, A. | | Deposit date: | 2021-07-07 | | Release date: | 2021-07-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Emergence of immune escape at dominant SARS-CoV-2 killer T cell epitope.
Cell, 185, 2022
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8QLQ
 | | Human MST3 (STK24) kinase in complex with macrocyclic inhibitor JA310 | | Descriptor: | 1,2-ETHANEDIOL, Serine/threonine-protein kinase 24, macrocyclic inhibitor | | Authors: | Balourdas, D.I, Amrhein, J.A, Hanke, T, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-09-20 | | Release date: | 2023-11-08 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Synthesis of Pyrazole-Based Macrocycles Leads to a Highly Selective Inhibitor for MST3.
J.Med.Chem., 67, 2024
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2NQC
 | | Crystal structure of ig-like domain 23 from human filamin C | | Descriptor: | Filamin-C, GLYCEROL, IMIDAZOLE, ... | | Authors: | Sjekloca, L, Pudas, R, Sjoeblom, B, Konarev, P, Carugo, O, Rybin, V, Kiema, T.R, Svergun, D, Ylanne, J, Djinovic-Carugo, K. | | Deposit date: | 2006-10-31 | | Release date: | 2007-09-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of human filamin C domain 23 and small angle scattering model for filamin C 23-24 dimer
J.Mol.Biol., 368, 2007
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2N1B
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3N9U
 | | Crystal Structure of the Complex between the 25 kDa Subunit and the 59 kDa Subunit (RRM domain) of Human Cleavage Factor Im | | Descriptor: | Cleavage and polyadenylation specificity factor subunit 5, Cleavage and polyadenylation specificity factor subunit 7, GLYCEROL | | Authors: | Tresaugues, L, Welin, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Moche, M, Nielsen, T.N, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, van der Berg, S, Wahlberg, E, Weigelt, J, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-05-31 | | Release date: | 2010-07-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Crystal Structure of the Complex between the 25 kDa Subunit and the 59 kDa Subunit (RRM domain) of Human Cleavage Factor Im
To be Published
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2NDM
 | | NMR solution structure of PawS Derived Peptide 21 (PDP-21) | | Descriptor: | PawS derived peptide 21 | | Authors: | Franke, B, Jayasena, A.S, Fisher, M.F, Swedberg, J.E, Taylor, N.L, Mylne, J.S, Rosengren, K. | | Deposit date: | 2016-07-17 | | Release date: | 2016-08-24 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Diverse cyclic seed peptides in the Mexican zinnia (Zinnia haageana).
Biopolymers, 106, 2016
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7B32
 | | MST3 in complex with MRIA7 | | Descriptor: | 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-[(2-methoxyphenyl)amino]pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24 | | Authors: | Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-11-28 | | Release date: | 2020-12-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors.
J.Med.Chem., 64, 2021
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8E7Y
 | | RsTSPO A138F with two heme bound | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan-rich sensory protein | | Authors: | Liu, J, Hiser, C, Li, F, Garavito, R, Ferguson-Miller, S. | | Deposit date: | 2022-08-25 | | Release date: | 2023-03-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | New TSPO Crystal Structures of Mutant and Heme-Bound Forms with Altered Flexibility, Ligand Binding, and Porphyrin Degradation Activity.
Biochemistry, 62, 2023
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2NVT
 | | RNA Polymerase II Elongation Complex in 150 mM Mg+2 with GMPCPP | | Descriptor: | 5'-D(*GP*TP*AP*CP*TP*TP*G)-3', 5'-D(P*CP*AP*AP*GP*TP*AP*CP*TP*TP*AP*CP*GP*CP*CP*TP*GP*GP*TP*CP*TP*T)-3', 5'-R(*AP*AP*GP*AP*CP*CP*AP*GP*GP*C)-3', ... | | Authors: | Wang, D, Bushnell, D.A, Westover, K.D, Kaplan, C.D, Kornberg, R.D. | | Deposit date: | 2006-11-13 | | Release date: | 2006-12-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.36 Å) | | Cite: | Structural basis of transcription: role of the trigger loop in substrate specificity and catalysis
Cell(Cambridge,Mass.), 127, 2006
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7B31
 | | MST3 in complex with compound MRIA9 | | Descriptor: | 1-[(5-azanyl-1,3-dioxan-2-yl)methyl]-3-[2-chloranyl-4-(3-fluoranylpyridin-2-yl)phenyl]-7-(methylamino)-1,6-naphthyridin-2-one, Serine/threonine-protein kinase 24 | | Authors: | Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-11-28 | | Release date: | 2020-12-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors.
J.Med.Chem., 64, 2021
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