4E9D
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![BU of 4e9d by Molmil](/molmil-images/mine/4e9d) | The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with 3-(1-benzothiophen-2-yl)propanoyl-derivatized DPPLHSpTA peptide | Descriptor: | 3-(1-benzothiophen-2-yl)propanoyl-derivatized DPPLHSpTA peptide, GLYCEROL, Serine/threonine-protein kinase PLK1 | Authors: | Sledz, P, Hyvonen, M, Lang, S, Stubbs, C.J, Abell, C. | Deposit date: | 2012-03-21 | Release date: | 2012-10-10 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | High-throughput interrogation of ligand binding mode using a fluorescence-based assay. Angew.Chem.Int.Ed.Engl., 51, 2012
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4ENY
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![BU of 4eny by Molmil](/molmil-images/mine/4eny) | Crystal Structure of Pim-1 kinase in complex with (2E,5Z)-2-(2-chlorophenylimino)-5-(4-hydroxy-3-methoxybenzylidene)thiazolidin-4-one | Descriptor: | (2Z,5Z)-2-[(2-chlorophenyl)imino]-5-(4-hydroxy-3-methoxybenzylidene)-1,3-thiazolidin-4-one, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Parker, L.J, Handa, N, Yokoyama, S. | Deposit date: | 2012-04-13 | Release date: | 2012-08-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.801 Å) | Cite: | Flexibility of the P-loop of Pim-1 kinase: observation of a novel conformation induced by interaction with an inhibitor Acta Crystallogr.,Sect.F, 68, 2012
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4E9C
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![BU of 4e9c by Molmil](/molmil-images/mine/4e9c) | The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with LDPPLHSpTA phosphopeptide | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, GLYCEROL, LDPPLHSpTA phosphopeptide, ... | Authors: | Sledz, P, Hyvonen, M, Lang, S, Stubbs, C.J, Abell, C. | Deposit date: | 2012-03-21 | Release date: | 2012-10-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | High-throughput interrogation of ligand binding mode using a fluorescence-based assay. Angew. Chem. Int. Ed. Engl., 51, 2012
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3WUC
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![BU of 3wuc by Molmil](/molmil-images/mine/3wuc) | X-ray crystal structure of Xenopus laevis galectin-Va | Descriptor: | Galectin, MALONIC ACID, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Nonaka, Y, Yoshida, H, Kamitori, S, Nakamura, T. | Deposit date: | 2014-04-23 | Release date: | 2015-04-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of a Xenopus laevis skin proto-type galectin, close to but distinct from galectin-1. Glycobiology, 25, 2015
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3WX5
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![BU of 3wx5 by Molmil](/molmil-images/mine/3wx5) | |
3WOG
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![BU of 3wog by Molmil](/molmil-images/mine/3wog) | Crystal structure plant lectin in complex with ligand | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, CALCIUM ION, ... | Authors: | Nagae, M, Yamaguchi, Y. | Deposit date: | 2013-12-26 | Release date: | 2014-04-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Phytohemagglutinin from Phaseolus vulgaris (PHA-E) displays a novel glycan recognition mode using a common legume lectin fold Glycobiology, 24, 2014
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4EM9
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![BU of 4em9 by Molmil](/molmil-images/mine/4em9) | Human PPAR gamma in complex with nonanoic acids | Descriptor: | 3,3',3''-phosphanetriyltripropanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor gamma, ... | Authors: | Liberato, M.V, Nascimento, A.S, Polikarpov, I. | Deposit date: | 2012-04-11 | Release date: | 2013-03-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Medium chain fatty acids are selective peroxisome proliferator activated receptor (PPAR) Gamma activators and pan-PPAR partial agonists Plos One, 7, 2012
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3WUD
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![BU of 3wud by Molmil](/molmil-images/mine/3wud) | X-ray crystal structure of Xenopus laevis galectin-Ib | Descriptor: | Galectin, SULFATE ION, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Nonaka, Y, Yoshida, H, Kamitori, S, Nakamura, T. | Deposit date: | 2014-04-23 | Release date: | 2015-04-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Crystal structure of a Xenopus laevis skin proto-type galectin, close to but distinct from galectin-1. Glycobiology, 25, 2015
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3WVS
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![BU of 3wvs by Molmil](/molmil-images/mine/3wvs) | Crystal Structure of Cytochrome P450revI | Descriptor: | (2E,4S,5S,6E,8E)-10-{(2R,3S,6S,8R,9S)-9-butyl-8-[(1E,3E)-4-carboxy-3-methylbuta-1,3-dien-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl}-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid, GLYCEROL, L(+)-TARTARIC ACID, ... | Authors: | Nagano, S, Takahashi, S, Osada, H, Shiro, Y. | Deposit date: | 2014-06-06 | Release date: | 2014-10-01 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure-function analyses of cytochrome P450revI involved in reveromycin A biosynthesis and evaluation of the biological activity of its substrate, reveromycin T. J.Biol.Chem., 289, 2014
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3W5E
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![BU of 3w5e by Molmil](/molmil-images/mine/3w5e) | Crystal structure of phosphodiesterase 4B in complex with compound 31e | Descriptor: | CALCIUM ION, N-tert-butyl-2-{4-[(5,5-dioxido-2-phenyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)amino]phenyl}acetamide, ZINC ION, ... | Authors: | Takahashi, M, Hanzawa, H. | Deposit date: | 2013-01-28 | Release date: | 2013-05-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification of the fused bicyclic 4-amino-2-phenylpyrimidine derivatives as novel and potent PDE4 inhibitors Bioorg.Med.Chem.Lett., 23, 2013
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3WCR
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![BU of 3wcr by Molmil](/molmil-images/mine/3wcr) | Crystal structure of plant lectin (ligand-free form) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, Erythroagglutinin | Authors: | Nagae, M, Yamaguchi, Y. | Deposit date: | 2013-05-31 | Release date: | 2014-04-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Phytohemagglutinin from Phaseolus vulgaris (PHA-E) displays a novel glycan recognition mode using a common legume lectin fold Glycobiology, 24, 2014
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3WVT
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![BU of 3wvt by Molmil](/molmil-images/mine/3wvt) | |
3WCS
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![BU of 3wcs by Molmil](/molmil-images/mine/3wcs) | Crystal structure of plant lectin (ligand-bound form) | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, ... | Authors: | Nagae, M, Yamaguchi, Y. | Deposit date: | 2013-05-31 | Release date: | 2014-04-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Phytohemagglutinin from Phaseolus vulgaris (PHA-E) displays a novel glycan recognition mode using a common legume lectin fold Glycobiology, 24, 2014
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3WLB
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![BU of 3wlb by Molmil](/molmil-images/mine/3wlb) | HLA-A24 in complex with HIV-1 Nef126-10(8T10F) | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ... | Authors: | Shimizu, A, Fukai, S, Yamagata, A, Iwamoto, A, Han, C. | Deposit date: | 2013-11-08 | Release date: | 2014-06-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Switching and emergence of CTL epitopes in HIV-1 infection Retrovirology, 11, 2014
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3WD9
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![BU of 3wd9 by Molmil](/molmil-images/mine/3wd9) | Crystal structure of phosphodiesterase 4B in complex with compound 10f | Descriptor: | 4-[(4-{2-[(2,2-dimethylpropyl)amino]-2-oxoethyl}phenyl)amino]-2-phenylpyrimidine-5-carboxamide, CALCIUM ION, ZINC ION, ... | Authors: | Takahashi, M, Hanzawa, H. | Deposit date: | 2013-06-11 | Release date: | 2013-10-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Synthesis and biological evaluation of 5-carbamoyl-2-phenylpyrimidine derivatives as novel and potent PDE4 inhibitors Bioorg.Med.Chem., 21, 2013
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3WL9
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![BU of 3wl9 by Molmil](/molmil-images/mine/3wl9) | HLA-A24 in complex with HIV-1 Nef126-10(8I10F) | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ... | Authors: | Shimizu, A, Fukai, S, Yamagata, A, Iwamoto, A, Han, C. | Deposit date: | 2013-11-08 | Release date: | 2014-06-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Switching and emergence of CTL epitopes in HIV-1 infection Retrovirology, 11, 2014
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1KRU
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![BU of 1kru by Molmil](/molmil-images/mine/1kru) | |
4A9C
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![BU of 4a9c by Molmil](/molmil-images/mine/4a9c) | Crystal structure of human SHIP2 in complex with biphenyl 2,3',4,5',6- pentakisphosphate | Descriptor: | BIPHENYL 2,3',4,5',6-PENTAKISPHOSPHATE, PHOSPHATIDYLINOSITOL-3,4,5-TRISPHOSPHATE 5-PHOSPHATASE 2 | Authors: | Tresaugues, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Edwards, A.M, Ekblad, T, Graslund, S, Karlberg, T, Mills, S.J, Moche, M, Nyman, T, Persson, C, Potter, B.V.L, Schuler, H, Thorsell, A.G, Weigelt, J, Nordlund, P. | Deposit date: | 2011-11-25 | Release date: | 2012-05-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Synthetic Polyphosphoinositide Headgroup Surrogate in Complex with Ship2 Provides a Rationale for Drug Discovery. Acs Chem.Biol., 7, 2012
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4B1E
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![BU of 4b1e by Molmil](/molmil-images/mine/4b1e) | New Aminoimidazoles as BACE-1 Inhibitors: From Rational Design to Ab- lowering in Brain | Descriptor: | (2R)-2-methyl-5-phenyl-2-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-imidazol-4-amine, BETA-SECRETASE 1 | Authors: | Rahm, F, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, von Berg, S, von Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Gravenfors, Y. | Deposit date: | 2012-07-10 | Release date: | 2012-10-10 | Last modified: | 2018-02-14 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | New aminoimidazoles as beta-secretase (BACE-1) inhibitors showing amyloid-beta (A beta ) lowering in brain. J. Med. Chem., 55, 2012
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4DDL
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![BU of 4ddl by Molmil](/molmil-images/mine/4ddl) | PDE10a Crystal Structure Complexed with Novel Inhibitor | Descriptor: | 2-{1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methylpyridin-2-yl]piperidin-4-yl}propan-2-ol, SULFATE ION, ZINC ION, ... | Authors: | Chmait, S, Jordan, S, Zhang, J. | Deposit date: | 2012-01-18 | Release date: | 2012-03-21 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Discovery of potent, selective, and metabolically stable 4-(pyridin-3-yl)cinnolines as novel phosphodiesterase 10A (PDE10A) inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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4B1D
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![BU of 4b1d by Molmil](/molmil-images/mine/4b1d) | New Aminoimidazoles as BACE-1 Inhibitors: From Rational Design to Ab- lowering in Brain | Descriptor: | (2S)-2-(4-methoxy-3,5-dimethylphenyl)-5-methyl-2-(3-pyrimidin-5-ylphenyl)-2H-imidazol-4-amine, ACETATE ION, BETA-SECRETASE 1 | Authors: | Rahm, F, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, von Berg, S, von Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Gravenfors, Y. | Deposit date: | 2012-07-10 | Release date: | 2012-10-10 | Last modified: | 2018-02-14 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | New aminoimidazoles as beta-secretase (BACE-1) inhibitors showing amyloid-beta (A beta ) lowering in brain. J. Med. Chem., 55, 2012
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4CBE
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![BU of 4cbe by Molmil](/molmil-images/mine/4cbe) | Crystal structure of complement factors H and FHL-1 binding protein BBH06 or CRASP-2 from Borrelia burgdorferi (Native) | Descriptor: | COMPLEMENT REGULATOR-ACQUIRING SURFACE PROTEIN 2 (CRASP-2) | Authors: | Brangulis, K, Petrovskis, I, Kazaks, A, Ranka, R, Tars, K. | Deposit date: | 2013-10-13 | Release date: | 2014-04-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structural Characterization of Cspz, a Complement Regulator Factor H and Fhl-1 Binding Protein from Borrelia Burgdorferi. FEBS J., 281, 2014
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4B1C
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![BU of 4b1c by Molmil](/molmil-images/mine/4b1c) | New Aminoimidazoles as BACE-1 Inhibitors: From Rational Design to Ab- lowering in Brain | Descriptor: | (2R)-2-cyclopropyl-5-methyl-2-[3-(5-prop-1-yn-1-ylpyridin-3-yl)phenyl]-2H-imidazol-4-amine, BETA-SECRETASE 1, DIMETHYL SULFOXIDE | Authors: | Rahm, F, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, von Berg, S, von Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Gravenfors, Y. | Deposit date: | 2012-07-10 | Release date: | 2012-10-10 | Last modified: | 2018-02-14 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | New aminoimidazoles as beta-secretase (BACE-1) inhibitors showing amyloid-beta (A beta ) lowering in brain. J. Med. Chem., 55, 2012
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4ARN
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![BU of 4arn by Molmil](/molmil-images/mine/4arn) | Crystal structure of the N-terminal domain of Drosophila Toll 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, MALONATE ION, ... | Authors: | Gangloff, M, Gay, N.J. | Deposit date: | 2012-04-25 | Release date: | 2013-01-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Functional Insights from the Crystal Structure of the N-Terminal Domain of the Prototypical Toll Receptor. Structure, 21, 2013
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4BG0
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![BU of 4bg0 by Molmil](/molmil-images/mine/4bg0) | Crystal structure of complement factors H and FHL-1 binding protein BBH06 or CRASP-2 from Borrelia burgdorferi | Descriptor: | COMPLEMENT REGULATOR-ACQUIRING SURFACE PROTEIN 2 (CRASP-2 (CRASP-2) | Authors: | Brangulis, K, Petrovskis, I, Baumanis, V, Tars, K. | Deposit date: | 2013-03-22 | Release date: | 2014-04-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Characterization of Cspz, a Complement Regulator Factor H and Fhl-1 Binding Protein from Borrelia Burgdorferi. FEBS J., 281, 2014
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