5NGU
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![BU of 5ngu by Molmil](/molmil-images/mine/5ngu) | Human Erk2 with an Erk1/2 inhibitor | Descriptor: | 2-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | Deposit date: | 2017-03-20 | Release date: | 2017-04-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
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6BSE
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![BU of 6bse by Molmil](/molmil-images/mine/6bse) | Glucocorticoid receptor bound to high cooperativity monomer sequence | Descriptor: | DNA (5'-D(P*AP*CP*CP*AP*CP*GP*TP*GP*TP*AP*CP*TP*TP*TP*TP*T)-3'), DNA (5'-D(P*TP*AP*AP*AP*AP*AP*GP*TP*AP*CP*AP*CP*GP*TP*GP*G)-3'), Glucocorticoid receptor, ... | Authors: | Pufall, M.A. | Deposit date: | 2017-12-02 | Release date: | 2018-12-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | General and sequence-specific roles for DNA in glucocorticoid receptor DNA-binding stoichiometry To Be Published
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7W91
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![BU of 7w91 by Molmil](/molmil-images/mine/7w91) | Residues 440-490 of centrosomal protein 63 | Descriptor: | Centrosomal protein of 63 kDa | Authors: | Yun, H.Y, Ku, B. | Deposit date: | 2021-12-09 | Release date: | 2023-07-19 | Method: | X-RAY DIFFRACTION (3.292 Å) | Cite: | Architectural basis for cylindrical self-assembly governing Plk4-mediated centriole duplication in human cells. Commun Biol, 6, 2023
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8Q61
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![BU of 8q61 by Molmil](/molmil-images/mine/8q61) | Co-crystal structure of human AKT2 with compound 3 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[4-(1-azanyl-3-methyl-3-oxidanyl-cyclobutyl)phenyl]-7-phenyl-1-propyl-pyrido[2,3-b][1,4]oxazin-2-one, GLYCEROL, ... | Authors: | Harrison, T, Barker, O. | Deposit date: | 2023-08-10 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Identification and development of a subtype-selective allosteric AKT inhibitor suitable for clinical development. Sci Rep, 12, 2022
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7CRN
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![BU of 7crn by Molmil](/molmil-images/mine/7crn) | |
7MFH
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![BU of 7mfh by Molmil](/molmil-images/mine/7mfh) | Crystal structure of BIO-32546 bound mouse Autotaxin | Descriptor: | (1R,3S,5S)-8-{(1S)-1-[8-(trifluoromethyl)-7-{[(1s,4R)-4-(trifluoromethyl)cyclohexyl]oxy}naphthalen-2-yl]ethyl}-8-azabicyclo[3.2.1]octane-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Chodaparambil, J.V. | Deposit date: | 2021-04-09 | Release date: | 2022-04-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of Potent Selective Nonzinc Binding Autotaxin Inhibitor BIO-32546. Acs Med.Chem.Lett., 12, 2021
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7DHI
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![BU of 7dhi by Molmil](/molmil-images/mine/7dhi) | Cryo-EM structure of the partial agonist salbutamol-bound beta2 adrenergic receptor-Gs protein complex. | Descriptor: | Beta-2 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: | Yang, F, Ling, S.L, Zhou, Y.X, Zhang, Y.N, Lv, P, Liu, S.L, Fang, W, Sun, W.J, Hu, L.Y.A. | Deposit date: | 2020-11-15 | Release date: | 2020-12-16 | Method: | ELECTRON MICROSCOPY (3.26 Å) | Cite: | Different Conformational Responses of the beta2-Adrenergic Receptor-Gs Complex upon Binding of the Partial Agonist Salbutamol or the Full Agonist Isoprenaline Natl Sci Rev, 2020
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2Q1J
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![BU of 2q1j by Molmil](/molmil-images/mine/2q1j) | The discovery of glycine and related amino acid-based factor xa inhibitors | Descriptor: | 1-(butyl{[(4-chlorophenyl)amino]carbonyl}amino)-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]cyclopropanecarboxamide, Activated factor Xa heavy chain (EC 3.4.21.6), CALCIUM ION, ... | Authors: | Kohrt, J.T, Filipski, K.J, Cody, W.L, Bigge, C.F, Zhang, E, Finzel, B.C. | Deposit date: | 2007-05-24 | Release date: | 2007-08-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Discovery of Glycine and Related Amino Acid-Based Factor Xa Inhibitors BIOORG.MED.CHEM., 14, 2006
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6LJ9
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1M6O
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![BU of 1m6o by Molmil](/molmil-images/mine/1m6o) | Crystal Structure of HLA B*4402 in complex with HLA DPA*0201 peptide | Descriptor: | Beta-2-microglobulin, HLA DPA*0201 peptide, HLA class I histocompatibility antigen, ... | Authors: | Macdonald, W.A, Purcell, A.W, Williams, D.S, Mifsud, N.A, Ely, L.K, Gorman, J.J, Clements, C.S, Kjer-Nielsen, L, Koelle, D.M, Brooks, A.G, Lovrecz, G.O, Lu, L, Rossjohn, J, McCluskey, J. | Deposit date: | 2002-07-17 | Release date: | 2003-09-02 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A naturally selected dimorphism within the HLA-B44 supertype alters class I structure, peptide repertoire, and T cell recognition. J.Exp.Med., 198, 2003
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2FIV
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![BU of 2fiv by Molmil](/molmil-images/mine/2fiv) | Crystal structure of feline immunodeficiency virus protease complexed with a substrate | Descriptor: | ACE-ALN-VAL-STA-GLU-ALN-NH2, FELINE IMMUNODEFICIENCY VIRUS PROTEASE, SULFATE ION | Authors: | Schalk-Hihi, C, Lubkowski, J, Zdanov, A, Wlodawer, A, Gustchina, A. | Deposit date: | 1997-07-21 | Release date: | 1997-11-12 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of the inactive D30N mutant of feline immunodeficiency virus protease complexed with a substrate and an inhibitor. Biochemistry, 36, 1997
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5E8U
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![BU of 5e8u by Molmil](/molmil-images/mine/5e8u) | TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D,I211V,Y249F,S280T, Y282F,S287N,A350C,L352F) | Descriptor: | GLYCEROL, TGF-beta receptor type-1 | Authors: | Sheriff, S. | Deposit date: | 2015-10-14 | Release date: | 2016-05-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity. Acta Crystallogr D Struct Biol, 72, 2016
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5E91
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5E8T
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![BU of 5e8t by Molmil](/molmil-images/mine/5e8t) | TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) | Descriptor: | GLYCEROL, TGF-beta receptor type-1 | Authors: | Sheriff, S. | Deposit date: | 2015-10-14 | Release date: | 2016-05-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity. Acta Crystallogr D Struct Biol, 72, 2016
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5E90
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![BU of 5e90 by Molmil](/molmil-images/mine/5e90) | TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D,I211V,Y249F, S280T,Y282F,S287N,A350C,L352F) IN COMPLEX WITH 3-AMINO-6- [4-(2-HYDROXYETHYL)PHENYL]-N-[4-(MORPHOLIN-4-YL)PYRIDIN-3-YL]PYRAZINE-2-CARBOXAMIDE | Descriptor: | 3-amino-6-[4-(2-hydroxyethyl)phenyl]-N-[4-(morpholin-4-yl)pyridin-3-yl]pyrazine-2-carboxamide, TGF-beta receptor type-1 | Authors: | Sheriff, S. | Deposit date: | 2015-10-14 | Release date: | 2016-05-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity. Acta Crystallogr D Struct Biol, 72, 2016
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5XMM
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![BU of 5xmm by Molmil](/molmil-images/mine/5xmm) | FLA-E*01801-167W/S | Descriptor: | Beta-2-microglobulin, Gag polyprotein, MHC class I antigen alpha chain | Authors: | Liang, R, Sun, Y, Wang, J, Wu, Y, Zhang, N, Xia, C. | Deposit date: | 2017-05-15 | Release date: | 2017-12-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Major Histocompatibility Complex Class I (FLA-E*01801) Molecular Structure in Domestic Cats Demonstrates Species-Specific Characteristics in Presenting Viral Antigen Peptides J. Virol., 92, 2018
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3WJ7
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![BU of 3wj7 by Molmil](/molmil-images/mine/3wj7) | Crystal structure of gox2253 | Descriptor: | MERCURY (II) ION, Putative oxidoreductase | Authors: | Yuan, Y.A, Yin, B. | Deposit date: | 2013-10-05 | Release date: | 2014-06-04 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural insights into substrate and coenzyme preference by SDR family protein Gox2253 from Gluconobater oxydans. Proteins, 82, 2014
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5GL6
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![BU of 5gl6 by Molmil](/molmil-images/mine/5gl6) | Msmeg rimP | Descriptor: | Ribosome maturation factor RimP | Authors: | Chu, T, Lau, T.C.K. | Deposit date: | 2016-07-08 | Release date: | 2017-07-12 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The ribosomal maturation factor P fromMycobacterium smegmatisfacilitates the ribosomal biogenesis by binding to the small ribosomal protein S12. J. Biol. Chem., 294, 2019
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7WGI
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![BU of 7wgi by Molmil](/molmil-images/mine/7wgi) | Crystal structure of AflSQS from Aspergillus flavus | Descriptor: | INDOLE, PHOSPHATE ION, Squalene synthase | Authors: | Shang, N, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2021-12-28 | Release date: | 2022-11-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A Structural and Bioinformatics Investigation of a Fungal Squalene Synthase and Comparisons with Other Membrane Proteins. Acs Omega, 7, 2022
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7WGH
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![BU of 7wgh by Molmil](/molmil-images/mine/7wgh) | Crystal structure of AflSQS from Aspergillus flavus in complex with FSPP | Descriptor: | PHOSPHATE ION, PYROPHOSPHATE 2-, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, ... | Authors: | Shang, N, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2021-12-28 | Release date: | 2022-11-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | A Structural and Bioinformatics Investigation of a Fungal Squalene Synthase and Comparisons with Other Membrane Proteins. Acs Omega, 7, 2022
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5YLX
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![BU of 5ylx by Molmil](/molmil-images/mine/5ylx) | Integrated illustration of a valid epitope based on the SLA class I structure and tetramer technique could carry forward the development of molecular vaccine in swine species | Descriptor: | Beta-2-microglobulin, MHC class I antigen, PRRSV-NSP9-TMP9 peptide | Authors: | Pan, X.C, Wei, X.H, Zhang, N, Xia, C. | Deposit date: | 2017-10-20 | Release date: | 2018-10-24 | Last modified: | 2020-05-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Illumination of PRRSV Cytotoxic T Lymphocyte Epitopes by the Three-Dimensional Structure and Peptidome of Swine Lymphocyte Antigen Class I (SLA-I). Front Immunol, 10, 2019
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7A25
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7XA9
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![BU of 7xa9 by Molmil](/molmil-images/mine/7xa9) | Structure of Arabidopsis thaliana CLCa | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Chloride channel protein CLC-a, MAGNESIUM ION, ... | Authors: | Ji, S, Jin, H, Kaiming, Z, Mingxing, W, Shanshan, L, Long, C. | Deposit date: | 2022-03-17 | Release date: | 2023-03-22 | Method: | ELECTRON MICROSCOPY (2.84 Å) | Cite: | Cryo-EM structure of the plant nitrate transporter AtCLCa reveals characteristics of the anion-binding site and the ATP-binding pocket. J.Biol.Chem., 299, 2023
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8KHQ
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![BU of 8khq by Molmil](/molmil-images/mine/8khq) | Bifunctional sulfoxide synthase OvoA_Th2 in complex with histidine and cysteine | Descriptor: | 5-histidylcysteine sulfoxide synthase/putative 4-mercaptohistidine N1-methyltranferase, COBALT (II) ION, CYSTEINE, ... | Authors: | Wang, J, Ye, K, Wang, X.Y, Yan, W.P. | Deposit date: | 2023-08-22 | Release date: | 2023-12-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Biochemical and Structural Characterization of OvoA Th2 : A Mononuclear Nonheme Iron Enzyme from Hydrogenimonas thermophila for Ovothiol Biosynthesis. Acs Catalysis, 13, 2023
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1B11
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![BU of 1b11 by Molmil](/molmil-images/mine/1b11) | STRUCTURE OF FELINE IMMUNODEFICIENCY VIRUS PROTEASE COMPLEXED WITH TL-3-093 | Descriptor: | PROTEIN (Feline Immunodeficiency Virus PROTEASE), SULFATE ION, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate | Authors: | Gustchina, A, Li, M, Wlodawer, A. | Deposit date: | 1998-11-25 | Release date: | 1998-12-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural studies of FIV and HIV-1 proteases complexed with an efficient inhibitor of FIV protease Proteins, 38, 2000
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