1QO3
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6MW0
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![BU of 6mw0 by Molmil](/molmil-images/mine/6mw0) | Mle-Phe-Mle-D-Phe. Linear tetrapeptide related to pseudoxylallemycin A. | Descriptor: | METHANOL, Mle-Phe-Mle-D-Phe Linear tetrapeptide related to pseudoxylallemycin A | Authors: | Cameron, A.J, Harris, P.W.R, Brimble, M.A, Squire, C.J. | Deposit date: | 2018-10-29 | Release date: | 2019-09-11 | Method: | X-RAY DIFFRACTION (0.78 Å) | Cite: | Investigations of the key macrolactamisation step in the synthesis of cyclic tetrapeptide pseudoxylallemycin A. Org.Biomol.Chem., 17, 2019
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5CGQ
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![BU of 5cgq by Molmil](/molmil-images/mine/5cgq) | Crystal structure of Tryptophan Synthase from Salmonella typhimurium in complex with F9 ligand in the alpha-site and the product L-Tryptophan in the beta-site. | Descriptor: | 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, BICINE, ... | Authors: | Hilario, E, Caulkins, B.G, Young, R.P, Dunn, M.F, Mueller, L.J, Fan, L. | Deposit date: | 2015-07-09 | Release date: | 2016-07-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Crystal structure of Tryptophan Synthase from Salmonella typhimurium in complex with F9 ligand and the product L-Tryptophan in the beta-site. To Be Published
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5C5G
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6B76
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![BU of 6b76 by Molmil](/molmil-images/mine/6b76) | Crystal Structure of human NAMPT in complex with NVP-LVR596 | Descriptor: | (1S,2S)-N-{4-[(1S)-1-(propanoylamino)ethyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | Authors: | Weihofen, W.A, Thigale, S. | Deposit date: | 2017-10-03 | Release date: | 2018-10-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Identification and structure based design of cellularly active cyclo-propyl carboxamide Nicotinamide phosphoribosyltransferase (NAMPT) inhibitors To Be Published
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7EJK
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![BU of 7ejk by Molmil](/molmil-images/mine/7ejk) | Structure of the alpha2A-adrenergic receptor GoA signaling complex bound to oxymetazoline | Descriptor: | Alpha-2A adrenergic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Xu, J, Cao, S, Liu, Z, Du, Y. | Deposit date: | 2021-04-02 | Release date: | 2022-04-13 | Last modified: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural insights into ligand recognition, activation, and signaling of the alpha 2A adrenergic receptor. Sci Adv, 8, 2022
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3QK8
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7EJ0
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![BU of 7ej0 by Molmil](/molmil-images/mine/7ej0) | Structure of the alpha2A-adrenergic receptor GoA signaling complex | Descriptor: | Alpha-2A adrenergic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Xu, J, Cao, S, Liu, Z, Du, Y. | Deposit date: | 2021-04-01 | Release date: | 2022-04-13 | Last modified: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural insights into ligand recognition, activation, and signaling of the alpha 2A adrenergic receptor. Sci Adv, 8, 2022
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7EJA
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![BU of 7eja by Molmil](/molmil-images/mine/7eja) | Structure of the alpha2A-adrenergic receptor GoA signaling complex bound to dexmedetomidine | Descriptor: | 4-[(1~{S})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole, Alpha-2A adrenergic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Xu, J, Cao, S, Liu, Z, Du, Y. | Deposit date: | 2021-04-01 | Release date: | 2022-04-13 | Last modified: | 2023-11-29 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural insights into ligand recognition, activation, and signaling of the alpha 2A adrenergic receptor. Sci Adv, 8, 2022
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7EJ8
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![BU of 7ej8 by Molmil](/molmil-images/mine/7ej8) | Structure of the alpha2A-adrenergic receptor GoA signaling complex bound to brimonidine | Descriptor: | Alpha-2A adrenergic receptor, Brimonidine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Xu, J, Cao, S, Liu, Z, Du, Y. | Deposit date: | 2021-04-01 | Release date: | 2022-04-13 | Last modified: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural insights into ligand recognition, activation, and signaling of the alpha 2A adrenergic receptor. Sci Adv, 8, 2022
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4LL5
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![BU of 4ll5 by Molmil](/molmil-images/mine/4ll5) | Crystal Structure of Pim-1 in complex with the fluorescent compound SKF86002 | Descriptor: | 6-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole, CALCIUM ION, GLYCEROL, ... | Authors: | Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S. | Deposit date: | 2013-07-09 | Release date: | 2014-02-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002. Acta Crystallogr.,Sect.D, 70, 2014
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3I4Y
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![BU of 3i4y by Molmil](/molmil-images/mine/3i4y) | Crystal structure determination of Catechol 1,2-Dioxygenase from Rhodococcus opacus 1CP in complex with 3,5-dichlorocatechol | Descriptor: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 3,5-dichlorobenzene-1,2-diol, Catechol 1,2-dioxygenase, ... | Authors: | Matera, I, Ferraroni, M, Kolomytseva, M, Briganti, F, Scozzafava, A. | Deposit date: | 2009-07-03 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Catechol 1,2-dioxygenase from the Gram-positive Rhodococcus opacus 1CP: Quantitative structure/activity relationship and the crystal structures of native enzyme and catechols adducts. J.Struct.Biol., 170, 2010
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6MW2
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4PYW
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![BU of 4pyw by Molmil](/molmil-images/mine/4pyw) | 1.92 angstrom crystal structure of A1AT:TTAI ternary complex | Descriptor: | ACE-THR-THR-ALA-ILE-NH2, Alpha-1-antitrypsin, GLYCEROL | Authors: | Nyon, M.P, Day, J, Gooptu, B. | Deposit date: | 2014-03-28 | Release date: | 2015-06-10 | Last modified: | 2022-08-24 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | An integrative approach combining ion mobility mass spectrometry, X-ray crystallography, and nuclear magnetic resonance spectroscopy to study the conformational dynamics of alpha 1 -antitrypsin upon ligand binding. Protein Sci., 24, 2015
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3IK5
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7E7W
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4P5T
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![BU of 4p5t by Molmil](/molmil-images/mine/4p5t) | 14.C6 TCR complexed with MHC class II I-Ab/3K peptide | Descriptor: | H-2 class II histocompatibility antigen, A-B alpha chain, Human nkt tcr beta chain, ... | Authors: | Trenh, P, Stadinski, B, Huseby, E.S, Stern, L.J. | Deposit date: | 2014-03-19 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.263 Å) | Cite: | Effect of CDR3 Sequences and Distal V Gene Residues in Regulating TCR-MHC Contacts and Ligand Specificity. J Immunol., 192, 2014
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4LUE
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![BU of 4lue by Molmil](/molmil-images/mine/4lue) | Crystal Structure of HCK in complex with 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (resulting from displacement of SKF86002) | Descriptor: | 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, CALCIUM ION, CHLORIDE ION, ... | Authors: | Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S. | Deposit date: | 2013-07-25 | Release date: | 2014-02-12 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.04 Å) | Cite: | Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002. Acta Crystallogr.,Sect.D, 70, 2014
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6BHP
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7ELR
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![BU of 7elr by Molmil](/molmil-images/mine/7elr) | Crystal structure of xanthine riboswitch with xanthine | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, NMT1 (46-MER), ... | Authors: | Xu, X.C, Ren, A.M. | Deposit date: | 2021-04-12 | Release date: | 2021-06-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Insights into xanthine riboswitch structure and metal ion-mediated ligand recognition. Nucleic Acids Res., 49, 2021
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2RH8
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![BU of 2rh8 by Molmil](/molmil-images/mine/2rh8) | Structure of apo anthocyanidin reductase from vitis vinifera | Descriptor: | Anthocyanidin reductase, CHLORIDE ION | Authors: | Gargouri, M, Mauge, C, Langlois D'Estaintot, B, Granier, T, Manigan, C, Gallois, B. | Deposit date: | 2007-10-08 | Release date: | 2008-11-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structure and epimerase activity of anthocyanidin reductase from Vitis vinifera. Acta Crystallogr.,Sect.D, 65, 2009
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7ELQ
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7ELS
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![BU of 7els by Molmil](/molmil-images/mine/7els) | Crystal structure of xanthine riboswitch with 8-azaxanthine | Descriptor: | 8-AZAXANTHINE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Xu, X.C, Ren, A.M. | Deposit date: | 2021-04-12 | Release date: | 2021-06-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Insights into xanthine riboswitch structure and metal ion-mediated ligand recognition. Nucleic Acids Res., 49, 2021
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7ELP
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2RPZ
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![BU of 2rpz by Molmil](/molmil-images/mine/2rpz) | Solution structure of the monomeric form of mouse APOBEC2 | Descriptor: | Probable C->U-editing enzyme APOBEC-2, ZINC ION | Authors: | Hayashi, F, Nagata, T, Nagashima, T, Muto, Y, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2008-12-11 | Release date: | 2009-12-22 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the monomeric form of mouse APOBEC2 To be Published
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