6BT5
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![BU of 6bt5 by Molmil](/molmil-images/mine/6bt5) | Human mGlu8 Receptor complexed with L-AP4 | Descriptor: | (2S)-2-amino-4-phosphonobutanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 8 | Authors: | Schkeryantz, J.M, Chen, Q, Ho, J.D, Atwell, S, Zhang, A, Vargas, M.C, Wang, J, Monn, J.A, Hao, J. | Deposit date: | 2017-12-05 | Release date: | 2018-02-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Determination of L-AP4-bound human mGlu8 receptor amino terminal domain structure and the molecular basis for L-AP4's group III mGlu receptor functional potency and selectivity. Bioorg. Med. Chem. Lett., 28, 2018
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6GL1
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![BU of 6gl1 by Molmil](/molmil-images/mine/6gl1) | HLA-E*01:03 in complex with the HIV epitope, RL9HIV | Descriptor: | ARG-MET-TYR-SER-PRO-THR-SER-ILE-LEU, Beta-2-microglobulin, MHC class I antigen, ... | Authors: | Walters, L.C, Gillespie, G.M, McMichael, A.J, Rozbesky, D, Jones, E.Y, Harlos, K. | Deposit date: | 2018-05-22 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.623 Å) | Cite: | Pathogen-derived HLA-E bound epitopes reveal broad primary anchor pocket tolerability and conformationally malleable peptide binding. Nat Commun, 9, 2018
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1AW7
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![BU of 1aw7 by Molmil](/molmil-images/mine/1aw7) | Q136A MUTANT OF TOXIC SHOCK SYNDROME TOXIN-1 FROM S. AUREUS | Descriptor: | TOXIC SHOCK SYNDROME TOXIN-1 | Authors: | Earhart, C.A, Mitchell, D.T, Murray, D.L, Pinheiro, D.M, Matsumura, M, Schlievert, P.M, Ohlendorf, D.H. | Deposit date: | 1997-10-11 | Release date: | 1998-10-28 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structures of five mutants of toxic shock syndrome toxin-1 with reduced biological activity. Biochemistry, 37, 1998
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6GN1
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![BU of 6gn1 by Molmil](/molmil-images/mine/6gn1) | Crystal Structure of Glycogen synthase kinase-3 beta (GSK3B) in Complex with PIK-75 | Descriptor: | CHLORIDE ION, Glycogen synthase kinase-3 beta, ~{N}-[(~{E})-(6-bromanylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-~{N},2-dimethyl-5-nitro-benzenesulfonamide | Authors: | Tesch, R, Becker, C, Mueller, M.P, Sant'Anna, C.M.R, Fraga, C.A.M, Rauh, D. | Deposit date: | 2018-05-29 | Release date: | 2018-06-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | An Unusual Intramolecular Halogen Bond Guides Conformational Selection. Angew. Chem. Int. Ed. Engl., 57, 2018
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4Q4F
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![BU of 4q4f by Molmil](/molmil-images/mine/4q4f) | Crystal structure of LIMP-2 (space group C2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-O-phosphono-beta-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, Y, Ren, J, Padilla-Parra, S, Fry, L.E, Stuart, D.I. | Deposit date: | 2014-04-14 | Release date: | 2014-07-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Lysosome sorting of beta-glucocerebrosidase by LIMP-2 is targeted by the mannose 6-phosphate receptor. Nat Commun, 5, 2014
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6BSZ
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![BU of 6bsz by Molmil](/molmil-images/mine/6bsz) | Human mGlu8 Receptor complexed with glutamate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMIC ACID, Metabotropic glutamate receptor 8, ... | Authors: | Schkeryantz, J.M, Chen, Q, Ho, J.D, Atwell, S, Zhang, A, Vargas, M.C, Wang, J, Monn, J.A, Hao, J. | Deposit date: | 2017-12-04 | Release date: | 2018-02-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Determination of L-AP4-bound human mGlu8 receptor amino terminal domain structure and the molecular basis for L-AP4's group III mGlu receptor functional potency and selectivity. Bioorg. Med. Chem. Lett., 28, 2018
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6GT3
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![BU of 6gt3 by Molmil](/molmil-images/mine/6gt3) | Crystal Structure of the A2A-StaR2-bRIL562 in complex with AZD4635 at 2.0A resolution | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 6-(2-chloranyl-6-methyl-pyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ... | Authors: | Borodovsky, A, Wang, Y, Deng, N, Ye, M, Stephen, T.L, Goodwin, K, Goodwin, R, Strittmatter, N, Shaw, J, Sachsenmeier, K, Clarke, J.D, Hay, C, Reimer, C, Andrews, S.P, Brown, G.A, Congreve, M, Cheng, R.K.Y, Dore, A.S, Mason, J.S, Marshall, F.H, Weir, M.P, Lyne, P, Woessner, R. | Deposit date: | 2018-06-15 | Release date: | 2019-06-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Small molecule AZD4635 inhibitor of A2AR signaling rescues immune cell function including CD103+ dendritic cells enhancing anti-tumor immunity J Immunother Cancer, 2020
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7KPB
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![BU of 7kpb by Molmil](/molmil-images/mine/7kpb) | Human TNF-alpha TNFR1 complex bound to conformationally selective antibody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(1-{[2-(difluoromethoxy)phenyl]methyl}-2-{[3-(2-oxopyrrolidin-1-yl)phenoxy]methyl}-1H-benzimidazol-6-yl)pyridin-2(1H)-one, Fab1974 - Heavy Chain, ... | Authors: | Fox III, D, Conrady, D.G, Lowe, M, Ceska, T. | Deposit date: | 2020-11-10 | Release date: | 2021-01-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A conformation-selective monoclonal antibody against a small molecule-stabilised signalling-deficient form of TNF Nat Commun, 12, 2021
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5CRX
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![BU of 5crx by Molmil](/molmil-images/mine/5crx) | |
7MTC
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![BU of 7mtc by Molmil](/molmil-images/mine/7mtc) | Structure of freshly purified SARS-CoV-2 S2P spike at pH 7.4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Tsybovsky, Y, Olia, A.S, Kwong, P.D. | Deposit date: | 2021-05-13 | Release date: | 2021-09-15 | Last modified: | 2021-10-13 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | SARS-CoV-2 S2P spike ages through distinct states with altered immunogenicity. J.Biol.Chem., 297, 2021
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4Q4B
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![BU of 4q4b by Molmil](/molmil-images/mine/4q4b) | Crystal structure of LIMP-2 (space group C2221) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lysosome membrane protein 2, ... | Authors: | Zhao, Y, Ren, J, Padilla-Parra, S, Fry, L.E, Stuart, D.I. | Deposit date: | 2014-04-14 | Release date: | 2014-07-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Lysosome sorting of beta-glucocerebrosidase by LIMP-2 is targeted by the mannose 6-phosphate receptor. Nat Commun, 5, 2014
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7MTD
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![BU of 7mtd by Molmil](/molmil-images/mine/7mtd) | Structure of aged SARS-CoV-2 S2P spike at pH 7.4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Tsybovsky, Y, Olia, A.S, Kwong, P.D. | Deposit date: | 2021-05-13 | Release date: | 2021-09-15 | Last modified: | 2021-10-13 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | SARS-CoV-2 S2P spike ages through distinct states with altered immunogenicity. J.Biol.Chem., 297, 2021
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5KK4
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![BU of 5kk4 by Molmil](/molmil-images/mine/5kk4) | Crystal Structure of the Plant Defensin NsD7 bound to Phosphatidic Acid | Descriptor: | (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Kvansakul, M, Hulett, M.D, Lay, F.T. | Deposit date: | 2016-06-21 | Release date: | 2016-10-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Binding of phosphatidic acid by NsD7 mediates the formation of helical defensin-lipid oligomeric assemblies and membrane permeabilization. Proc.Natl.Acad.Sci.USA, 113, 2016
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7MTE
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![BU of 7mte by Molmil](/molmil-images/mine/7mte) | |
5KLX
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![BU of 5klx by Molmil](/molmil-images/mine/5klx) | |
5KNY
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![BU of 5kny by Molmil](/molmil-images/mine/5kny) | Crystal structure of Mycobacterium tuberculosis hypoxanthine guanine phosphoribosyltransferase in complex with (3-((3R,4R)-3-(Guanin-9-yl)-4-((S)-2-hydroxy-2-phosphonoethoxy)pyrrolidin-1-yl)-3-oxopropyl)phosphonic acid | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, [3-[(3~{R},4~{R})-3-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-[(2~{S})-2-oxidanyl-2-phosphono-ethoxy]pyrrolidin-1-y l]-3-oxidanylidene-propyl]phosphonic acid | Authors: | Eng, W.S, Rejman, D, Keough, D.T, Guddat, L.W. | Deposit date: | 2016-06-28 | Release date: | 2017-09-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis hypoxanthine guanine phosphoribosyltransferase in complex with pyrrolidine nucleoside phosphonate To Be Published
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5KOF
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![BU of 5kof by Molmil](/molmil-images/mine/5kof) | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and Acyl Carrier Protein, AcpP | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, [(3~{S})-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(prop-2-enoylamino)ethylamino]propyl]amino]butyl] dihydrogen phosphate | Authors: | Milligan, J.C, Jackson, D.R, Barajas, J.F, Tsai, S.C. | Deposit date: | 2016-06-30 | Release date: | 2018-01-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular basis for interactions between an acyl carrier protein and a ketosynthase. Nat.Chem.Biol., 15, 2019
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1D1S
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![BU of 1d1s by Molmil](/molmil-images/mine/1d1s) | WILD-TYPE HUMAN SIGMA (CLASS IV) ALCOHOL DEHYDROGENASE | Descriptor: | ACETATE ION, ALCOHOL DEHYDROGENASE CLASS IV SIGMA CHAIN, CACODYLATE ION, ... | Authors: | Xie, P.T, Hurley, T.D. | Deposit date: | 1999-09-21 | Release date: | 1999-09-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Methionine-141 directly influences the binding of 4-methylpyrazole in human sigma sigma alcohol dehydrogenase. Protein Sci., 8, 1999
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6DWJ
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![BU of 6dwj by Molmil](/molmil-images/mine/6dwj) | SAMHD1 Bound to Vidarabine-TP in the Catalytic Pocket | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | Authors: | Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y. | Deposit date: | 2018-06-26 | Release date: | 2018-10-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7KJW
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![BU of 7kjw by Molmil](/molmil-images/mine/7kjw) | Structure of HIV-1 reverse transcriptase initiation complex core with efavirenz | Descriptor: | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, HIV-1 viral RNA fragment, MAGNESIUM ION, ... | Authors: | Ha, B, Larsen, K.P, Zhang, J, Fu, Z, Montabana, E, Jackson, L.N, Chen, D.H, Puglisi, E.V. | Deposit date: | 2020-10-26 | Release date: | 2021-03-17 | Last modified: | 2021-05-12 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | High-resolution view of HIV-1 reverse transcriptase initiation complexes and inhibition by NNRTI drugs. Nat Commun, 12, 2021
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7KOQ
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![BU of 7koq by Molmil](/molmil-images/mine/7koq) | Alpha-7 nicotinic acetylcholine receptor bound to epibatidine in a desensitized state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Noviello, C.M, Hibbs, R.E, Gharpure, A, Mukhtasimova, N, Cabuco, R, Baxter, L, Borek, D, Sine, S. | Deposit date: | 2020-11-09 | Release date: | 2021-03-17 | Last modified: | 2021-05-12 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structure and gating mechanism of the alpha 7 nicotinic acetylcholine receptor. Cell, 184, 2021
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7KHF
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![BU of 7khf by Molmil](/molmil-images/mine/7khf) | |
7KNA
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![BU of 7kna by Molmil](/molmil-images/mine/7kna) | Localized reconstruction of the H1 A/Michigan/45/2015 ectodomain displayed at the surface of I53_dn5 nanoparticle | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin,I53_dn5 | Authors: | Acton, O.J, Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2020-11-04 | Release date: | 2021-03-31 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Quadrivalent influenza nanoparticle vaccines induce broad protection. Nature, 592, 2021
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1CRX
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![BU of 1crx by Molmil](/molmil-images/mine/1crx) | CRE RECOMBINASE/DNA COMPLEX REACTION INTERMEDIATE I | Descriptor: | CRE RECOMBINASE, DNA (5'-D(*AP*TP*AP*TP*GP*CP*TP*AP*TP*AP*CP*GP*AP*AP*GP*TP*TP*AP*T)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*CP*TP*TP*CP*GP*TP*AP*TP*AP*G)-3'), ... | Authors: | Guo, F, Gopaul, D.N, Van Duyne, G.D. | Deposit date: | 1997-07-02 | Release date: | 1998-10-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of Cre recombinase complexed with DNA in a site-specific recombination synapse. Nature, 389, 1997
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5HLN
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![BU of 5hln by Molmil](/molmil-images/mine/5hln) | X-RAY CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH CHIR99021 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHIR99021, Glycogen synthase kinase-3 beta, ... | Authors: | White, A, Lakshminarasimhan, D, Nadupalli, A, Suto, R.K. | Deposit date: | 2016-01-15 | Release date: | 2016-05-25 | Last modified: | 2016-07-27 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Inhibitors of Glycogen Synthase Kinase 3 with Exquisite Kinome-Wide Selectivity and Their Functional Effects. Acs Chem.Biol., 11, 2016
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