8QK9
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![BU of 8qk9 by Molmil](/molmil-images/mine/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
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![BU of 2ydq by Molmil](/molmil-images/mine/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
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![BU of 8qk5 by Molmil](/molmil-images/mine/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
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![BU of 8qjz by Molmil](/molmil-images/mine/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
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![BU of 2ydr by Molmil](/molmil-images/mine/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
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![BU of 8qka by Molmil](/molmil-images/mine/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
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![BU of 7b36 by Molmil](/molmil-images/mine/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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![BU of 5j4s by Molmil](/molmil-images/mine/5j4s) | |
7SRS
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![BU of 7srs by Molmil](/molmil-images/mine/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
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![BU of 7srq by Molmil](/molmil-images/mine/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
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![BU of 7srr by Molmil](/molmil-images/mine/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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![BU of 5j4q by Molmil](/molmil-images/mine/5j4q) | |
2NA8
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![BU of 2na8 by Molmil](/molmil-images/mine/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
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![BU of 3p0c by Molmil](/molmil-images/mine/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
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![BU of 7a8p by Molmil](/molmil-images/mine/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
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![BU of 7p3d by Molmil](/molmil-images/mine/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
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![BU of 8qlq by Molmil](/molmil-images/mine/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
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![BU of 2nqc by Molmil](/molmil-images/mine/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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![BU of 2n1b by Molmil](/molmil-images/mine/2n1b) | |
3N9U
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![BU of 3n9u by Molmil](/molmil-images/mine/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
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![BU of 2ndm by Molmil](/molmil-images/mine/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
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![BU of 7b32 by Molmil](/molmil-images/mine/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
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![BU of 8e7y by Molmil](/molmil-images/mine/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
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![BU of 2nvt by Molmil](/molmil-images/mine/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
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![BU of 7b31 by Molmil](/molmil-images/mine/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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