5X70
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![BU of 5x70 by Molmil](/molmil-images/mine/5x70) | |
5X6X
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5XF1
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![BU of 5xf1 by Molmil](/molmil-images/mine/5xf1) | Structure of the Full-length glucagon class B G protein-coupled receptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, H, Qiao, A, Yang, D, Yang, L, Dai, A, de Graaf, C, Reedtz-Runge, S, Dharmarajan, V, Zhang, H, Han, G.W, Grant, T, Sierra, R, Weierstall, U, Nelson, G, Liu, W, Wu, Y, Ma, L, Cai, X, Lin, G, Wu, X, Geng, Z, Dong, Y, Song, G, Griffin, P, Lau, J, Cherezov, V, Yang, H, Hanson, M, Stevens, R, Jiang, H, Wang, M, Zhao, Q, Wu, B. | Deposit date: | 2017-04-06 | Release date: | 2017-05-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Structure of the full-length glucagon class B G-protein-coupled receptor. Nature, 546, 2017
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5XL0
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![BU of 5xl0 by Molmil](/molmil-images/mine/5xl0) | met-aquo form of sperm whale myoglobin reconstituted with 7-PF, a heme possesseing CF3 group as side chain | Descriptor: | Myoglobin, SULFATE ION, fluorinated heme | Authors: | Kanai, Y, Harada, A, Shibata, T, Nishimura, R, Namiki, K, Watanabe, M, Nakamura, S, Yumoto, F, Senda, T, Suzuki, A, Neya, S, Yamamoto, Y. | Deposit date: | 2017-05-10 | Release date: | 2017-08-16 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Characterization of Heme Orientational Disorder in a Myoglobin Reconstituted with a Trifluoromethyl-Group-Substituted Heme Cofactor Biochemistry, 56, 2017
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5X5A
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![BU of 5x5a by Molmil](/molmil-images/mine/5x5a) | Human thymidylate synthase bound with phosphate ion | Descriptor: | PHOSPHATE ION, Thymidylate synthase | Authors: | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | Deposit date: | 2017-02-15 | Release date: | 2017-06-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states J. Biol. Chem., 292, 2017
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5X66
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![BU of 5x66 by Molmil](/molmil-images/mine/5x66) | Human thymidylate synthase in complex with dUMP and methotrexate | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, METHOTREXATE, Thymidylate synthase | Authors: | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | Deposit date: | 2017-02-21 | Release date: | 2017-06-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states J. Biol. Chem., 292, 2017
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5X6Z
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![BU of 5x6z by Molmil](/molmil-images/mine/5x6z) | |
5XES
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![BU of 5xes by Molmil](/molmil-images/mine/5xes) | TK9 NMR structure in SDS micelle | Descriptor: | THR-VAL-TYR-VAL-TYR-SER-ARG-VAL-LYS | Authors: | Ghosh, A, Bhunia, A. | Deposit date: | 2017-04-05 | Release date: | 2018-04-18 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural insights of a self-assembling 9-residue peptide from the C-terminal tail of the SARS corona virus E-protein in DPC and SDS micelles: A combined high and low resolution spectroscopic study. Biochim Biophys Acta Biomembr, 1860, 2018
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5XRA
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![BU of 5xra by Molmil](/molmil-images/mine/5xra) | Crystal structure of the human CB1 in complex with agonist AM11542 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (6aR,10aR)-3-(8-bromanyl-2-methyl-octan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol, CHOLESTEROL, ... | Authors: | Hua, T, Vemuri, K, Nikas, P.S, Laprairie, R.B, Wu, Y, Qu, L, Pu, M, Korde, A, Shan, J, Ho, J.H, Han, G.W, Ding, K, Li, X, Liu, H, Hanson, M.A, Zhao, S, Bohn, L.M, Makriyannis, A, Stevens, R.C, Liu, Z.J. | Deposit date: | 2017-06-08 | Release date: | 2017-07-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structures of agonist-bound human cannabinoid receptor CB1 Nature, 547, 2017
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5X6Y
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![BU of 5x6y by Molmil](/molmil-images/mine/5x6y) | |
5X89
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![BU of 5x89 by Molmil](/molmil-images/mine/5x89) | The X-ray crystal structure of subunit fusion RNA splicing endonuclease from Methanopyrus kandleri | Descriptor: | EndA-like protein,tRNA-splicing endonuclease, PHOSPHATE ION | Authors: | Kaneta, A, Fujishima, K, Morikazu, W, Hori, H, Hirata, A. | Deposit date: | 2017-03-01 | Release date: | 2018-01-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | The RNA-splicing endonuclease from the euryarchaeaon Methanopyrus kandleri is a heterotetramer with constrained substrate specificity Nucleic Acids Res., 46, 2018
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8V2N
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![BU of 8v2n by Molmil](/molmil-images/mine/8v2n) | Human SIRT3 co-crystallized with ligands, including p53-AMC peptide and Carba-NAD | Descriptor: | CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, GLN-PRO-LYS-FDL, NAD-dependent protein deacetylase sirtuin-3, ... | Authors: | Chakrabarti, R, Ghosh, A, Guan, X, Upadhyay, A, Dumpati, R.K, Munshi, S, Roy, S, Chall, S, Rahnamoun, A, Reverdy, C, Errasti, G, Delacroix, T. | Deposit date: | 2023-11-23 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Computationally Driven Discovery and Characterization of SIRT3 Activating Compounds that Fully Recover Catalytic Activity under NAD+ Depletion biorxiv, 2023
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8V15
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![BU of 8v15 by Molmil](/molmil-images/mine/8v15) | Human SIRT3 bound to p53-AMC peptide, Carba-NAD, and Honokiol | Descriptor: | (1P)-3',5-di(prop-2-en-1-yl)[1,1'-biphenyl]-2,4'-diol, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, GLN-PRO-LYS-FDL, ... | Authors: | Chakrabarti, R, Ghosh, A, Guan, X, Upadhyay, A, Dumpati, R.K, Munshi, S, Roy, S, Chall, S, Rahnamoun, A, Reverdy, C, Errasti, G, Delacroix, T. | Deposit date: | 2023-11-19 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Computationally Driven Discovery and Characterization of SIRT3 Activating Compounds that Fully Recover Catalytic Activity under NAD+ Depletion biorxiv, 2023
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8VIS
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![BU of 8vis by Molmil](/molmil-images/mine/8vis) | Human TMPRSS11D complexed with a disulfide-linked autoinhibitory DDDDK peptide | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, MAGNESIUM ION, ... | Authors: | Fraser, B.J, Dong, A, Ilyassov, O, Kenney, T, Li, Y.Y, Seitova, A, Li, Y, Hejazi, Z, Edwards, A, Benard, F, Arrowsmith, C. | Deposit date: | 2024-01-05 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Human TMPRSS11D complexed with a disulfide-linked autoinhibitory DDDDK peptide To Be Published
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8W3V
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![BU of 8w3v by Molmil](/molmil-images/mine/8w3v) | Crystal structure of human WDR41 | Descriptor: | WD repeat-containing protein 41 | Authors: | Hutchinson, A, Dong, A, Li, Y, Seitova, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2024-02-22 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of human WDR41 To be published
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8F2Z
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![BU of 8f2z by Molmil](/molmil-images/mine/8f2z) | LSD1-CoREST in complex with AW2, short soaking | Descriptor: | Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[(1R,3S,3aS,13R)-3-([1,1'-biphenyl]-4-yl)-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) | Authors: | Caroli, J, Mattevi, A. | Deposit date: | 2022-11-09 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
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8F30
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![BU of 8f30 by Molmil](/molmil-images/mine/8f30) | LSD1-CoREST in complex with AW2, long soaking | Descriptor: | Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-{5-[3-([1,1'-biphenyl]-4-yl)propanoyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) | Authors: | Caroli, J, Mattevi, A. | Deposit date: | 2022-11-09 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
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8F59
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![BU of 8f59 by Molmil](/molmil-images/mine/8f59) | LSD1-CoREST in complex with AW2 and SNAG peptide | Descriptor: | Lysine-specific histone demethylase 1A, REST corepressor 1, Zinc finger protein SNAI1, ... | Authors: | Caroli, J, Mattevi, A. | Deposit date: | 2022-11-12 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
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8F6S
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![BU of 8f6s by Molmil](/molmil-images/mine/8f6s) | LSD1-CoREST in complex with T105 | Descriptor: | 3-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide, Lysine-specific histone demethylase 1A, REST corepressor 1, ... | Authors: | Caroli, J, Mattevi, A. | Deposit date: | 2022-11-17 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
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8FDV
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![BU of 8fdv by Molmil](/molmil-images/mine/8fdv) | LSD1-CoREST in complex N-formyl FAD and SNAG peptide | Descriptor: | Lysine-specific histone demethylase 1A, REST corepressor 1, Zinc finger protein SNAI1, ... | Authors: | Caroli, J, Mattevi, A. | Deposit date: | 2022-12-05 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
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4W8I
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![BU of 4w8i by Molmil](/molmil-images/mine/4w8i) | Crystal structure of LpSPL/Lpp2128, Legionella pneumophila sphingosine-1 phosphate lyase | Descriptor: | Probable sphingosine-1-phosphate lyase | Authors: | Stogios, P.J, Daniels, C, Skarina, T, Cuff, M, Di Leo, R, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-08-24 | Release date: | 2014-11-05 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Legionella pneumophila S1P-lyase targets host sphingolipid metabolism and restrains autophagy. Proc.Natl.Acad.Sci.USA, 113, 2016
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8JMM
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![BU of 8jmm by Molmil](/molmil-images/mine/8jmm) | Structure of XBB spike protein (S) dimer-trimer in complex with bispecific antibody G7-Fc at 3.75 Angstroms resolution. | Descriptor: | 7F3 Fv, GW01 Fv, Spike glycoprotein | Authors: | Hao, A, Mao, Q, Chen, Z, Huang, J, Sun, L. | Deposit date: | 2023-06-05 | Release date: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.75 Å) | Cite: | Structure of XBB spike protein (S) dimer-trimer in complex with bispecific antibody G7-Fc at 3.75 Angstroms resolution. To Be Published
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4USK
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![BU of 4usk by Molmil](/molmil-images/mine/4usk) | Unravelling the B. pseudomallei heptokinase WcbL: from Structure to Drug Discovery. | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, PUTATIVE SUGAR KINASE, ... | Authors: | Vivoli, M, Isupov, M.N, Nicholas, R, Hill, A, Scott, A, Kosma, P, Prior, J, Harmer, N.J. | Deposit date: | 2014-07-09 | Release date: | 2016-01-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Unraveling the B.Pseudomallei Heptokinase Wcbl: From Structure to Drug Discovery. Chem.Biol., 22, 2015
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8OUO
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![BU of 8ouo by Molmil](/molmil-images/mine/8ouo) | Human TPC2 in Complex with Antagonist (S)-SG-094 | Descriptor: | (1S)-6-methoxy-2-methyl-7-phenoxy-1-[(4-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline, 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... | Authors: | Chi, G, Pike, A.C.W, Maclean, E.M, Li, H, Mukhopadhyay, S.M.M, Bohstedt, T, Wang, D, McKinley, G, Fernandez-Cid, A, Duerr, K. | Deposit date: | 2023-04-24 | Release date: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis for inhibition of the lysosomal two-pore channel TPC2 by a small molecule antagonist. Structure, 2024
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8P2R
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![BU of 8p2r by Molmil](/molmil-images/mine/8p2r) | |