1VYQ
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![BU of 1vyq by Molmil](/molmil-images/mine/1vyq) | Novel inhibitors of Plasmodium Falciparum dUTPase provide a platform for anti-malarial drug design | Descriptor: | 2,3-DEOXY-3-FLUORO-5-O-TRITYLURIDINE, DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE | Authors: | Whittingham, J.L, Leal, I, Kasinathan, G, Nguyen, C, Bell, E, Jones, A.F, Berry, C, Benito, A, Turkenburg, J.P, Dodson, E.J, Ruiz Perez, L.M, Wilkinson, A.J, Johansson, N.G, Brun, R, Gilbert, I.H, Gonzalez Pacanowska, D, Wilson, K.S. | Deposit date: | 2004-05-05 | Release date: | 2005-05-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Dutpase as a Platform for Antimalarial Drug Design: Structural Basis for the Selectivity of a Class of Nucleoside Inhibitors. Structure, 13, 2005
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4W8F
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![BU of 4w8f by Molmil](/molmil-images/mine/4w8f) | Crystal structure of the dynein motor domain in the AMPPNP-bound state | Descriptor: | Dynein heavy chain lysozyme chimera, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Cheng, H.-C, Bhabha, G, Zhang, N, Vale, R.D. | Deposit date: | 2014-08-24 | Release date: | 2014-11-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.541 Å) | Cite: | Allosteric communication in the Dynein motor domain. Cell, 159, 2014
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6QU9
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![BU of 6qu9 by Molmil](/molmil-images/mine/6qu9) | Fab fragment of an antibody that inhibits polymerisation of alpha-1-antitrypsin | Descriptor: | FAB 4B12 heavy chain, FAB 4B12 light chain, GLYCEROL, ... | Authors: | Jagger, A.M, Heyer-Chauhan, N, Lomas, D.A, Irving, J.A. | Deposit date: | 2019-02-26 | Release date: | 2020-03-18 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The structural basis for Z alpha 1 -antitrypsin polymerization in the liver. Sci Adv, 6, 2020
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6ZFD
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![BU of 6zfd by Molmil](/molmil-images/mine/6zfd) | 14-3-3 zeta bound to the phosphorylated 18E6 C-terminus | Descriptor: | 14-3-3 protein zeta/delta,Protein E6, GLYCEROL | Authors: | Gogl, G, Tugaeva, K.V, Sluchanko, N.N, Trave, G. | Deposit date: | 2020-06-17 | Release date: | 2021-02-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Hierarchized phosphotarget binding by the seven human 14-3-3 isoforms. Nat Commun, 12, 2021
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6ZFG
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![BU of 6zfg by Molmil](/molmil-images/mine/6zfg) | 14-3-3 zeta chimera with 18E6 and fusicoccin | Descriptor: | 14-3-3 protein zeta/delta,Protein E6, FUSICOCCIN, GLYCEROL | Authors: | Gogl, G, Tugaeva, K, Sluchanko, N.N, Trave, G. | Deposit date: | 2020-06-17 | Release date: | 2021-02-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Hierarchized phosphotarget binding by the seven human 14-3-3 isoforms. Nat Commun, 12, 2021
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3UG2
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![BU of 3ug2 by Molmil](/molmil-images/mine/3ug2) | Crystal structure of the mutated EGFR kinase domain (G719S/T790M) in complex with gefitinib | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, Gefitinib | Authors: | Parker, L.J, Handa, N, Yoshikawa, S, Kukimoto-Niino, M, Shirouzu, M, Yokoyama, S. | Deposit date: | 2011-11-02 | Release date: | 2012-03-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for the altered drug sensitivities of non-small cell lung cancer-associated mutants of human epidermal growth factor receptor Oncogene, 32, 2013
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3UMW
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![BU of 3umw by Molmil](/molmil-images/mine/3umw) | Crystal structure of Pim1 kinase in complex with inhibitor (Z)-2-[(1H-indazol-3-yl)methylene]-6-methoxy-7-(piperazin-1-ylmethyl)benzofuran-3(2H)-one | Descriptor: | (2Z)-2-(1H-indazol-3-ylmethylidene)-6-methoxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3(2H)-one, GLYCEROL, Proto-oncogene serine/threonine-protein kinase pim-1, ... | Authors: | Parker, L.J, Handa, N, Yokoyama, S. | Deposit date: | 2011-11-14 | Release date: | 2012-10-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Rational evolution of a novel type of potent and selective proviral integration site in Moloney murine leukemia virus kinase 1 (PIM1) inhibitor from a screening-hit compound. J.Med.Chem., 55, 2012
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3UG1
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![BU of 3ug1 by Molmil](/molmil-images/mine/3ug1) | Crystal structure of the mutated EGFR kinase domain (G719S/T790M) in the apo form | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor | Authors: | Parker, L.J, Handa, N, Yoshikawa, S, Kukimoto-Niino, M, Shirouzu, M, Yokoyama, S. | Deposit date: | 2011-11-02 | Release date: | 2012-03-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural basis for the altered drug sensitivities of non-small cell lung cancer-associated mutants of human epidermal growth factor receptor Oncogene, 32, 2013
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1MO6
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![BU of 1mo6 by Molmil](/molmil-images/mine/1mo6) | |
1MO3
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![BU of 1mo3 by Molmil](/molmil-images/mine/1mo3) | |
1MO5
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![BU of 1mo5 by Molmil](/molmil-images/mine/1mo5) | |
1MO4
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![BU of 1mo4 by Molmil](/molmil-images/mine/1mo4) | |
4FA0
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![BU of 4fa0 by Molmil](/molmil-images/mine/4fa0) | Crystal structure of human AdPLA to 2.65 A resolution | Descriptor: | Group XVI phospholipase A1/A2 | Authors: | Lovell, S, Battaile, K.P, Addington, L, Zhang, N, Rao, J.L.U.M, Moise, A.R. | Deposit date: | 2012-05-21 | Release date: | 2012-06-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure/Function relationships of adipose phospholipase A2 containing a cys-his-his catalytic triad. J.Biol.Chem., 287, 2012
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6KSQ
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![BU of 6ksq by Molmil](/molmil-images/mine/6ksq) | Middle Domain of Human HSP90 Alpha | Descriptor: | Heat shock protein HSP 90-alpha | Authors: | Su, H.X, Zhou, C, Zhang, N.X, Xu, Y.C. | Deposit date: | 2019-08-25 | Release date: | 2020-02-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.202 Å) | Cite: | Allosteric Regulation of Hsp90 alpha's Activity by Small Molecules Targeting the Middle Domain of the Chaperone. Iscience, 23, 2020
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6KNM
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![BU of 6knm by Molmil](/molmil-images/mine/6knm) | Apelin receptor in complex with single domain antibody | Descriptor: | Apelin receptor,Rubredoxin,Apelin receptor, Single domain antibody JN241, ZINC ION | Authors: | Ma, Y.B, Ding, Y, Song, X, Ma, X, Li, X, Zhang, N, Song, Y, Sun, Y, Shen, Y, Zhong, W, Hu, L.A, Ma, Y.L, Zhang, M.Y. | Deposit date: | 2019-08-06 | Release date: | 2020-01-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure-guided discovery of a single-domain antibody agonist against human apelin receptor. Sci Adv, 6, 2020
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5DIK
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![BU of 5dik by Molmil](/molmil-images/mine/5dik) | Crystal structure of apo-lpg0406, a carboxymuconolactone decarboxylase family protein from Legionella pneumophila | Descriptor: | Alkyl hydroperoxide reductase AhpD | Authors: | Chen, X, Gong, X, Zhang, N, Ge, H. | Deposit date: | 2015-09-01 | Release date: | 2015-10-14 | Last modified: | 2016-01-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of lpg0406, a carboxymuconolactone decarboxylase family protein possibly involved in antioxidative response from Legionella pneumophila Protein Sci., 24, 2015
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5D8Z
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![BU of 5d8z by Molmil](/molmil-images/mine/5d8z) | Structrue of a lucidum protein | Descriptor: | beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, endoglucanase | Authors: | Guo, R, Li, Q, Shang, N, Liu, G, Ko, T.P, Chen, C.C, Liu, W. | Deposit date: | 2015-08-18 | Release date: | 2016-06-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Functional and structural analyses of a 1,4-beta-endoglucanase from Ganoderma lucidum. Enzyme.Microb.Technol., 86, 2016
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5DIP
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![BU of 5dip by Molmil](/molmil-images/mine/5dip) | Crystal structure of lpg0406 in reduced form from Legionella pneumophila | Descriptor: | Alkyl hydroperoxide reductase AhpD, GLYCEROL, SODIUM ION | Authors: | Chen, X, Gong, X, Zhang, N, Ge, H. | Deposit date: | 2015-09-01 | Release date: | 2015-10-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.097 Å) | Cite: | Structure of lpg0406, a carboxymuconolactone decarboxylase family protein possibly involved in antioxidative response from Legionella pneumophila Protein Sci., 24, 2015
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2G88
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![BU of 2g88 by Molmil](/molmil-images/mine/2g88) | MSRECA-dATP COMPLEX | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CITRIC ACID, MAGNESIUM ION, ... | Authors: | Krishna, R, Manjunath, G.P, Kumar, P, Surolia, A, Chandra, N.R, Muniyappa, K, Vijayan, M. | Deposit date: | 2006-03-02 | Release date: | 2006-05-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystallographic identification of an ordered C-terminal domain and a second nucleotide-binding site in RecA: new insights into allostery. Nucleic Acids Res., 34, 2006
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6KWN
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![BU of 6kwn by Molmil](/molmil-images/mine/6kwn) | Crystal structure of pSLA-1*1301(F99Y) complex with S-OIV-derived epitope NSDTVGWSW | Descriptor: | Beta-2-microglobulin, MHC class I antigen, peptide | Authors: | Wei, X.H, Wang, S, Zhang, N.Z, Xia, C. | Deposit date: | 2019-09-07 | Release date: | 2020-09-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Peptidomes and Structures Illustrate Two Distinguishing Mechanisms of Alternating the Peptide Plasticity Caused by Swine MHC Class I Micropolymorphism. Front Immunol, 12, 2021
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6KWO
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![BU of 6kwo by Molmil](/molmil-images/mine/6kwo) | Crystal structure of pSLA-1*1301 complex with mutant epitope ESDTVGWSW | Descriptor: | Beta-2-microglobulin, MHC class I antigen, peptide | Authors: | Wei, X.H, Wang, S, Zhang, N.Z, Xia, C. | Deposit date: | 2019-09-07 | Release date: | 2020-09-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.803 Å) | Cite: | Peptidomes and Structures Illustrate Two Distinguishing Mechanisms of Alternating the Peptide Plasticity Caused by Swine MHC Class I Micropolymorphism. Front Immunol, 12, 2021
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6KWL
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![BU of 6kwl by Molmil](/molmil-images/mine/6kwl) | Crystal structure of pSLA-1*0401(R156A) complex with FMDV-derived epitope MTAHITVPY | Descriptor: | Beta-2-microglobulin, MHC class I antigen, peptide | Authors: | Wei, X.H, Wang, S, Zhang, N.Z, Xia, C. | Deposit date: | 2019-09-07 | Release date: | 2020-09-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Peptidomes and Structures Illustrate Two Distinguishing Mechanisms of Alternating the Peptide Plasticity Caused by Swine MHC Class I Micropolymorphism. Front Immunol, 12, 2021
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6KYU
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![BU of 6kyu by Molmil](/molmil-images/mine/6kyu) | |
6KCZ
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![BU of 6kcz by Molmil](/molmil-images/mine/6kcz) | |
6DEF
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![BU of 6def by Molmil](/molmil-images/mine/6def) | Vps1 GTPase-BSE fusion complexed with GMPPCP | Descriptor: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Vps1 GTPase-BSE | Authors: | Ford, M.G.J, Varlakhanova, N.V, Brady, T.M, Chappie, J.S, Hosford, C.J. | Deposit date: | 2018-05-11 | Release date: | 2018-08-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Structures of the fungal dynamin-related protein Vps1 reveal a unique, open helical architecture. J. Cell Biol., 217, 2018
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