4ZHV
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![BU of 4zhv by Molmil](/molmil-images/mine/4zhv) | Crystal structure of a bacterial signalling protein | Descriptor: | SULFATE ION, YfiB | Authors: | Li, S, Li, T, Wang, Y, Bartlam, M. | Deposit date: | 2015-04-27 | Release date: | 2016-04-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.585 Å) | Cite: | Structural insights into YfiR sequestering by YfiB in Pseudomonas aeruginosa PAO1 Sci Rep, 5, 2015
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2F7X
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![BU of 2f7x by Molmil](/molmil-images/mine/2f7x) | Protein Kinase A bound to (S)-2-(1H-Indol-3-yl)-1-[5-((E)-2-pyridin-4-yl-vinyl)-pyridin-3-yloxymethyl]-ethylamine | Descriptor: | (1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE, PKI, inhibitory peptide, ... | Authors: | Li, Q, Li, T, Zhu, G.D, Gong, J, Claibone, A, Dalton, C, Luo, Y, Johnson, E.F, Shi, Y, Liu, X, Klinghofer, V, Bauch, J.L, Marsh, K.C, Bouska, J.J, Arries, S, De Jong, R, Oltersdorf, T, Stoll, V.S, Jakob, C.G, Rosenberg, S.H, Giranda, V.L. | Deposit date: | 2005-12-01 | Release date: | 2006-06-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of trans-3,4'-bispyridinylethylenes as potent and novel inhibitors of protein kinase B (PKB/Akt) for the treatment of cancer: Synthesis and biological evaluation. Bioorg.Med.Chem.Lett., 16, 2006
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2F7Z
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![BU of 2f7z by Molmil](/molmil-images/mine/2f7z) | Protein Kinase A bound to (R)-1-(1H-Indol-3-ylmethyl)-2-(2-pyridin-4-yl-[1,7]naphtyridin-5-yloxy)-ehylamine | Descriptor: | (1S)-1-(1H-INDOL-3-YLMETHYL)-2-(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-5-YLOXY)-EHYLAMINE, PKI, inhibitory peptide, ... | Authors: | Li, Q, Woods, K.W, Thomas, S, Zhu, G.D, Packard, G, Fisher, J, Li, T, Gong, J, Dinges, J, Song, X, Abrams, J, Luo, Y, Johnson, E.F, Shi, Y, Liu, X, Klinghofer, V, Des Jong, R, Oltersdorf, T, Stoll, V.S, Jakob, C.G, Rosenberg, S.H, Giranda, V.L. | Deposit date: | 2005-12-01 | Release date: | 2006-06-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Synthesis and structure-activity relationship of 3,4'-bispyridinylethylenes: discovery of a potent 3-isoquinolinylpyridine inhibitor of protein kinase B (PKB/Akt) for the treatment of cancer. Bioorg.Med.Chem.Lett., 16, 2006
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2WSM
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![BU of 2wsm by Molmil](/molmil-images/mine/2wsm) | |
5WYB
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![BU of 5wyb by Molmil](/molmil-images/mine/5wyb) | Structure of Pseudomonas aeruginosa DspI | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, ACETATE ION, Probable enoyl-CoA hydratase/isomerase | Authors: | Liu, L, Peng, C, Li, T, Li, C, He, L, Song, Y, Zhu, Y, Shen, Y, Bao, R. | Deposit date: | 2017-01-12 | Release date: | 2018-01-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural and functional studies on Pseudomonas aeruginosa DspI: implications for its role in DSF biosynthesis. Sci Rep, 8, 2018
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4J3N
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![BU of 4j3n by Molmil](/molmil-images/mine/4j3n) | Human Topoisomerase Iibeta in complex with DNA | Descriptor: | DNA (5'-D(P*AP*GP*CP*CP*GP*AP*GP*C)-3'), DNA (5'-D(P*TP*GP*CP*AP*GP*CP*TP*CP*GP*GP*CP*T)-3'), DNA topoisomerase 2-beta, ... | Authors: | Wu, C.C, Li, T.K, Li, Y.C, Chan, N.L. | Deposit date: | 2013-02-06 | Release date: | 2013-10-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | On the structural basis and design guidelines for type II topoisomerase-targeting anticancer drugs Nucleic Acids Res., 41, 2013
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7E3L
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![BU of 7e3l by Molmil](/molmil-images/mine/7e3l) | Ultrapotent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 58G6 heavy chain, 58G6 light chain, ... | Authors: | Guo, H, Li, T, Liu, F, Gao, Y, Ji, X, Yang, H. | Deposit date: | 2021-02-09 | Release date: | 2021-09-15 | Last modified: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Potent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants. Nat Commun, 12, 2021
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7E3K
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![BU of 7e3k by Molmil](/molmil-images/mine/7e3k) | Ultrapotent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants | Descriptor: | 13G9 heavy chain, 13G9 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Guo, H, Li, T, Liu, F, Gao, Y, Ji, X, Yang, H. | Deposit date: | 2021-02-09 | Release date: | 2021-09-15 | Last modified: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Potent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants. Nat Commun, 12, 2021
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2ZTN
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![BU of 2ztn by Molmil](/molmil-images/mine/2ztn) | Hepatitis E virus ORF2 (Genotype 3) | Descriptor: | Capsid protein | Authors: | Yamashita, T, Unno, H, Mori, Y, Li, T.C, Takeda, N, Matsuura, Y. | Deposit date: | 2008-10-08 | Release date: | 2009-08-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.56 Å) | Cite: | Biological and immunological characteristics of hepatitis E virus-like particles based on the crystal structure Proc.Natl.Acad.Sci.USA, 106, 2009
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5WYD
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![BU of 5wyd by Molmil](/molmil-images/mine/5wyd) | Structural of Pseudomonas aeruginosa DspI | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ISOPROPYL ALCOHOL, ... | Authors: | Liu, L, Peng, C, Li, T, Li, C, He, L, Song, Y, Zhu, Y, Shen, Y, Bao, R. | Deposit date: | 2017-01-12 | Release date: | 2018-01-31 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.101 Å) | Cite: | Structural and functional studies on Pseudomonas aeruginosa DspI: implications for its role in DSF biosynthesis. Sci Rep, 8, 2018
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1X81
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![BU of 1x81 by Molmil](/molmil-images/mine/1x81) | Farnesyl transferase structure of Jansen compound | Descriptor: | 6-[(S)-AMINO(4-CHLOROPHENYL)(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-4-(3-CHLOROPHENYL)-1-METHYLQUINOLIN-2(1H)-ONE, Protein farnesyltransferase beta subunit, Protein farnesyltransferase/geranylgeranyltransferase type I alpha subunit, ... | Authors: | Li, Q, Claiborne, A, Li, T, Hasvold, L, Stoll, V.S, Muchmore, S, Jakob, C.G, Gu, W, Cohen, J, Hutchins, C, Frost, D, Rosenberg, S.H, Sham, H.L. | Deposit date: | 2004-08-16 | Release date: | 2004-12-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Design, synthesis, and activity of 4-quinolone and pyridone compounds as nonthiol-containing farnesyltransferase inhibitors. Bioorg.Med.Chem.Lett., 14, 2004
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3IYO
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![BU of 3iyo by Molmil](/molmil-images/mine/3iyo) | Cryo-EM model of virion-sized HEV virion-sized capsid | Descriptor: | Capsid protein | Authors: | Xing, L, Mayazaki, N, Li, T.C, Simons, M.N, Wall, J.S, Moore, M, Wang, C.Y, Takeda, N, Wakita, T, Miyamura, T, Cheng, R.H. | Deposit date: | 2010-03-19 | Release date: | 2010-08-18 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (10.5 Å) | Cite: | Structural basis for the RNA-dependent assembly pathway of hepatitis E virion-sized particles J.Biol.Chem., 2010
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7BOR
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![BU of 7bor by Molmil](/molmil-images/mine/7bor) | Structure of Pseudomonas aeruginosa CoA-bound OdaA | Descriptor: | COENZYME A, Probable enoyl-CoA hydratase/isomerase | Authors: | Zhao, N, Zhao, C, Liu, L, Li, T, Li, C, He, L, Zhu, Y, Song, Y, Bao, R. | Deposit date: | 2020-03-19 | Release date: | 2020-05-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Structural and molecular dynamic studies of Pseudomonas aeruginosa OdaA reveal the regulation role of a C-terminal hinge element. Biochim Biophys Acta Gen Subj, 1865, 2020
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5WZE
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![BU of 5wze by Molmil](/molmil-images/mine/5wze) | The structure of Pseudomonas aeruginosa aminopeptidase PepP | Descriptor: | 1,2-ETHANEDIOL, ALANINE, Aminopeptidase P, ... | Authors: | Bao, R, Peng, C.T, Liu, L, He, L.H, Li, C.C, Li, T, Shen, Y.L, Zhu, Y.B, Song, Y.J. | Deposit date: | 2017-01-17 | Release date: | 2018-01-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.783 Å) | Cite: | Structure-Function Relationship of Aminopeptidase P from Pseudomonas aeruginosa. Front Microbiol, 8, 2017
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7CRD
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![BU of 7crd by Molmil](/molmil-images/mine/7crd) | Structure of Pseudomonas aeruginosa OdaA | Descriptor: | Probable enoyl-CoA hydratase/isomerase | Authors: | Zhao, N, Zhao, C, Liu, L, Li, T, Li, C, He, L, Zhu, Y, Song, Y, Bao, R. | Deposit date: | 2020-08-13 | Release date: | 2020-09-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Structural and molecular dynamic studies of Pseudomonas aeruginosa OdaA reveal the regulation role of a C-terminal hinge element. Biochim Biophys Acta Gen Subj, 1865, 2020
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2ZZQ
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![BU of 2zzq by Molmil](/molmil-images/mine/2zzq) | Crystal structure analysis of the HEV capsid protein, PORF2 | Descriptor: | Protein ORF3, Capsid protein | Authors: | Miyazaki, N, Xing, L, Wang, C.-Y, Li, T.-C, Takeda, N, Higashiura, A, Nakagawa, A, Tsukihara, T, Miyamura, T, Cheng, R.H. | Deposit date: | 2009-02-23 | Release date: | 2010-03-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.81 Å) | Cite: | Role of protein domain-modularity in designating capsid assembly and antigenicity To be Published
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8GRI
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![BU of 8gri by Molmil](/molmil-images/mine/8gri) | Orf1-E312A-glycine-glycylthricin | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCINE, N-formimidoyl fortimicin A synthase, ... | Authors: | Wang, Y.L, Li, T.L. | Deposit date: | 2022-09-01 | Release date: | 2023-05-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.365 Å) | Cite: | N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry. Nat Commun, 14, 2023
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5YLO
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![BU of 5ylo by Molmil](/molmil-images/mine/5ylo) | Structural of Pseudomonas aeruginosa PA4980 | Descriptor: | GLYCEROL, Probable enoyl-CoA hydratase/isomerase | Authors: | Liu, L, Li, T, Peng, C.T, Li, C.C, Xiao, Q.J, He, L.H, Wang, N.Y, Bao, R. | Deposit date: | 2017-10-18 | Release date: | 2018-08-22 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structural characterization of a Delta3, Delta2-enoyl-CoA isomerase from Pseudomonas aeruginosa: implications for its involvement in unsaturated fatty acid metabolism. J.Biomol.Struct.Dyn., 37, 2019
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8K9Q
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![BU of 8k9q by Molmil](/molmil-images/mine/8k9q) | Cryo-EM structure of the GPI inositol-deacylase (PGAP1/Bst1) from Chaetomium thermophilum | Descriptor: | (2~{S})-2-azanyl-3-[[(2~{R})-3-hexadecanoyloxy-2-[(~{Z})-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid, CHOLESTEROL HEMISUCCINATE, GPI inositol-deacylase,fused thermostable green fluorescent protein | Authors: | Hong, J, Li, T, Qu, Q, Li, D. | Deposit date: | 2023-08-01 | Release date: | 2023-12-20 | Last modified: | 2024-01-17 | Method: | ELECTRON MICROSCOPY (2.84 Å) | Cite: | Molecular basis of the inositol deacylase PGAP1 involved in quality control of GPI-AP biogenesis. Nat Commun, 15, 2024
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7LIR
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![BU of 7lir by Molmil](/molmil-images/mine/7lir) | Structure of the invertebrate ALK GRD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ALK tyrosine kinase receptor homolog scd-2, ... | Authors: | Stayrook, S, Li, T, Klein, D.E. | Deposit date: | 2021-01-27 | Release date: | 2021-11-24 | Last modified: | 2021-12-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for ligand reception by anaplastic lymphoma kinase. Nature, 600, 2021
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7LS0
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![BU of 7ls0 by Molmil](/molmil-images/mine/7ls0) | Structure of the Human ALK GRD bound to AUG | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALK tyrosine kinase receptor fused with ALK and LTK ligand 2, CITRIC ACID | Authors: | Stayrook, S, Li, T, Klein, D.E. | Deposit date: | 2021-02-17 | Release date: | 2021-11-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structural basis for ligand reception by anaplastic lymphoma kinase. Nature, 600, 2021
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7LRZ
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![BU of 7lrz by Molmil](/molmil-images/mine/7lrz) | Structure of the Human ALK GRD | Descriptor: | ALK tyrosine kinase receptor | Authors: | Stayrook, S, Li, T, Klein, D.E. | Deposit date: | 2021-02-17 | Release date: | 2021-11-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Structural basis for ligand reception by anaplastic lymphoma kinase. Nature, 600, 2021
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3I6K
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![BU of 3i6k by Molmil](/molmil-images/mine/3i6k) | Newly identified epitope from SARS-CoV membrane protein complexed with HLA-A*0201 | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | Authors: | Liu, J, Sun, Y, Qi, J, Chu, F, Wu, H, Gao, F, Li, T, Yan, J, Gao, G.F. | Deposit date: | 2009-07-07 | Release date: | 2010-06-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The membrane protein of severe acute respiratory syndrome coronavirus acts as a dominant immunogen revealed by a clustering region of novel functionally and structurally defined cytotoxic T-lymphocyte epitopes J Infect Dis, 202, 2010
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1XES
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![BU of 1xes by Molmil](/molmil-images/mine/1xes) | Crystal structure of stilbene synthase from Pinus sylvestris | Descriptor: | 3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID, Dihydropinosylvin synthase | Authors: | Ng, S.H, Chirgadze, D, Spiteller, D, Li, T.L, Spencer, J.B, Blundell, T.L. | Deposit date: | 2004-09-12 | Release date: | 2006-04-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of stilbene synthase from Pinus sylvestris To be Published
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1XET
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![BU of 1xet by Molmil](/molmil-images/mine/1xet) | Crystal structure of stilbene synthase from Pinus sylvestris, complexed with methylmalonyl CoA | Descriptor: | 3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID, Dihydropinosylvin synthase, METHYLMALONYL-COENZYME A | Authors: | Ng, S.H, Chirgadze, D, Spiteller, D, Li, T.L, Spencer, J.B, Blundell, T.L. | Deposit date: | 2004-09-12 | Release date: | 2006-04-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of stilbene synthase from Pinus sylvestris, complexed with methylmalonyl CoA To be Published
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