7WRZ
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![BU of 7wrz by Molmil](/molmil-images/mine/7wrz) | Local resolution of BD55-5840 Fab and SARS-COV2 Omicron RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BD55-5840H, BD55-5840L, ... | Authors: | Zhang, Z.Z, Xiao, J.J. | Deposit date: | 2022-01-28 | Release date: | 2022-06-22 | Last modified: | 2022-08-31 | Method: | ELECTRON MICROSCOPY (3.26 Å) | Cite: | BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection. Nature, 608, 2022
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8D4X
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![BU of 8d4x by Molmil](/molmil-images/mine/8d4x) | Structure of the human UBR5 HECT-type E3 ubiquitin ligase in a dimeric form | Descriptor: | E3 ubiquitin-protein ligase UBR5, ZINC ION | Authors: | Wang, F, He, Q, Lin, G, Li, H. | Deposit date: | 2022-06-02 | Release date: | 2023-04-19 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structure of the human UBR5 E3 ubiquitin ligase. Structure, 31, 2023
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5ZIO
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![BU of 5zio by Molmil](/molmil-images/mine/5zio) | Crystal structure of NDM-1 in complex with L-captopril | Descriptor: | L-CAPTOPRIL, Metallo-beta-lactamase type 2, ZINC ION | Authors: | Zhang, H, Hao, Q. | Deposit date: | 2018-03-16 | Release date: | 2019-03-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors Bioorg.Med.Chem., 29, 2020
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5ZJ2
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![BU of 5zj2 by Molmil](/molmil-images/mine/5zj2) | Crystal structure of NDM-1 in complex with D-captopril | Descriptor: | 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, Metallo-beta-lactamase type 2, ZINC ION | Authors: | Zhang, H, Hao, Q. | Deposit date: | 2018-03-18 | Release date: | 2019-03-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors Bioorg.Med.Chem., 29, 2020
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8K20
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![BU of 8k20 by Molmil](/molmil-images/mine/8k20) | Cryo-EM structure of KEOPS complex from Arabidopsis thaliana | Descriptor: | At4g34412, At5g53043, FE (III) ION, ... | Authors: | Zheng, X.X, Zhu, L, Duan, L, Zhang, W.H. | Deposit date: | 2023-07-11 | Release date: | 2024-04-03 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Molecular basis of A. thaliana KEOPS complex in biosynthesizing tRNA t6A. Nucleic Acids Res., 52, 2024
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4ANW
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![BU of 4anw by Molmil](/molmil-images/mine/4anw) | Complexes of PI3Kgamma with isoform selective inhibitors. | Descriptor: | 3-AMINO-6-{4-CHLORO-3-[(2,3-DIFLUOROPHENYL)SULFAMOYL]PHENYL}-N-METHYLPYRAZINE-2-CARBOXAMIDE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION | Authors: | Foster, P.G, Lougheed, J.C. | Deposit date: | 2012-03-22 | Release date: | 2012-05-09 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors J.Med.Chem., 55, 2012
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8E0Q
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![BU of 8e0q by Molmil](/molmil-images/mine/8e0q) | Structure of the human UBR5 HECT-type E3 ubiquitin ligase in a C2 symmetric dimeric form | Descriptor: | E3 ubiquitin-protein ligase UBR5, ZINC ION | Authors: | Wang, F, He, Q, Lin, G, Li, H. | Deposit date: | 2022-08-09 | Release date: | 2023-04-19 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.66 Å) | Cite: | Structure of the human UBR5 E3 ubiquitin ligase. Structure, 31, 2023
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4ANX
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![BU of 4anx by Molmil](/molmil-images/mine/4anx) | Complexes of PI3Kgamma with isoform selective inhibitors. | Descriptor: | 5-{3-[(4-{3-[4-(1-methylethyl)phenyl]pyrazin-2-yl}piperazin-1-yl)sulfonyl]phenyl}pyrimidin-2-amine, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM | Authors: | Foster, P.G, Lougheed, J.C. | Deposit date: | 2012-03-22 | Release date: | 2012-05-09 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors J.Med.Chem., 55, 2012
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1ZV1
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![BU of 1zv1 by Molmil](/molmil-images/mine/1zv1) | Crystal structure of the dimerization domain of doublesex protein from D. melanogaster | Descriptor: | Doublesex protein | Authors: | Weiss, M.A, Bayrer, J.R, Wan, Z, Li, B, Phillips, N.B. | Deposit date: | 2005-06-01 | Release date: | 2005-08-09 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Dimerization of doublesex is mediated by a cryptic ubiquitin-associated domain fold: implications for sex-specific gene regulation J.Biol.Chem., 280, 2005
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7WRO
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![BU of 7wro by Molmil](/molmil-images/mine/7wro) | Local structure of BD55-3372 and delta spike | Descriptor: | 3372H, 3372L, Spike protein S1 | Authors: | Liu, P.L. | Deposit date: | 2022-01-27 | Release date: | 2022-06-22 | Last modified: | 2022-08-31 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection. Nature, 608, 2022
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7WR8
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![BU of 7wr8 by Molmil](/molmil-images/mine/7wr8) | |
4GB0
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![BU of 4gb0 by Molmil](/molmil-images/mine/4gb0) | |
3UQR
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![BU of 3uqr by Molmil](/molmil-images/mine/3uqr) | Crystal structure of BACE1 with its inhibitor | Descriptor: | Beta-secretase 1, METHYL (2S)-1-[(2R,5S,8S,12S,13S)-2,13-DIBENZYL-12-HYDROXY-3,5-DIMETHYL-15-(3-[METHYL(METHYLSULFONYL)AMINO]-5-{[(1R)-1-PHENYLETHYL]CARBAMOYL}PHENYL)-8-(2-METHYLPROPYL)-4,7,10,15-TETRAOXO-3,6,9,14-TETRAAZAPENTADECAN-1-OYL]PYRROLIDINE-2-CARBOXYLATE | Authors: | Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C. | Deposit date: | 2011-11-21 | Release date: | 2012-11-21 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.056 Å) | Cite: | Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases J.Med.Chem., 55, 2012
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2P4J
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![BU of 2p4j by Molmil](/molmil-images/mine/2p4j) | Crystal structure of beta-secretase bond to an inhibitor with Isophthalamide Derivatives at P2-P3 | Descriptor: | Beta-secretase 1, N-[(1S,2S,4R)-2-HYDROXY-1-ISOBUTYL-5-({(1S)-1-[(ISOPROPYLAMINO)CARBONYL]-2-METHYLPROPYL}AMINO)-4-METHYL-5-OXOPENTYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE | Authors: | Hong, L, Ghosh, A.K, Tang, J. | Deposit date: | 2007-03-12 | Release date: | 2007-07-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design, synthesis, and X-ray structure of potent memapsin 2 (beta-secretase) inhibitors with isophthalamide derivatives as the P2-P3-ligands. J.Med.Chem., 50, 2007
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3ENC
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![BU of 3enc by Molmil](/molmil-images/mine/3enc) | Crystal structure of Pyrococcus furiosus PCC1 dimer | Descriptor: | protein PCC1 | Authors: | Neculai, D. | Deposit date: | 2008-09-25 | Release date: | 2008-10-28 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.6304 Å) | Cite: | Atomic structure of the KEOPS complex: an ancient protein kinase-containing molecular machine. Mol.Cell, 32, 2008
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4ANV
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![BU of 4anv by Molmil](/molmil-images/mine/4anv) | Complexes of PI3Kgamma with isoform selective inhibitors. | Descriptor: | 2-{4-[(4'-METHOXYBIPHENYL-3-YL)SULFONYL]PIPERAZIN-1-YL}-3-(4-METHOXYPHENYL)PYRAZINE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION | Authors: | Foster, P.G, Lougheed, J.C. | Deposit date: | 2012-03-22 | Release date: | 2012-05-09 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors J.Med.Chem., 55, 2012
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3UYW
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![BU of 3uyw by Molmil](/molmil-images/mine/3uyw) | Crystal structures of globular head of 2009 pandemic H1N1 hemagglutinin | Descriptor: | 2-AMINOETHANESULFONIC ACID, Hemagglutinin | Authors: | Xuan, C.L, Shi, Y, Qi, J.X, Xiao, H.X, Gao, G.F. | Deposit date: | 2011-12-06 | Release date: | 2012-10-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.903 Å) | Cite: | Structural vaccinology: structure-based design of influenza A virus hemagglutinin subtype-specific subunit vaccines Protein Cell, 2, 2011
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3ENP
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![BU of 3enp by Molmil](/molmil-images/mine/3enp) | Crystal structure of human cgi121 | Descriptor: | TP53RK-binding protein | Authors: | Haffani, Y.Z, Ceccarelli, D.F, Neculai, D, Mao, D.Y, Sicheri, F. | Deposit date: | 2008-09-25 | Release date: | 2008-11-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Atomic structure of the KEOPS complex: an ancient protein kinase-containing molecular machine. Mol.Cell, 32, 2008
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6A0Q
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![BU of 6a0q by Molmil](/molmil-images/mine/6a0q) | The crystal structure of Lpg2622_E64 complex | Descriptor: | Lpg2622, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE | Authors: | Gong, X, Ge, H. | Deposit date: | 2018-06-06 | Release date: | 2018-09-12 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural characterization of the hypothetical protein Lpg2622, a new member of the C1 family peptidases from Legionella pneumophila FEBS Lett., 592, 2018
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3EN9
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![BU of 3en9 by Molmil](/molmil-images/mine/3en9) | Structure of the Methanococcus jannaschii KAE1-BUD32 fusion protein | Descriptor: | HEXATANTALUM DODECABROMIDE, MAGNESIUM ION, O-sialoglycoprotein endopeptidase/protein kinase | Authors: | Neculai, D. | Deposit date: | 2008-09-25 | Release date: | 2008-11-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Atomic structure of the KEOPS complex: an ancient protein kinase-containing molecular machine. Mol.Cell, 32, 2008
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3ENO
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![BU of 3eno by Molmil](/molmil-images/mine/3eno) | |
4ANU
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![BU of 4anu by Molmil](/molmil-images/mine/4anu) | Complexes of PI3Kgamma with isoform selective inhibitors. | Descriptor: | 3-AMINO-N-METHYL-6-[3-(1H-TETRAZOL-5-YL)PHENYL]PYRAZINE-2-CARBOXAMIDE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION | Authors: | Foster, P.G, Lougheed, J.C. | Deposit date: | 2012-03-22 | Release date: | 2012-05-09 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors J.Med.Chem., 55, 2012
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4AWP
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![BU of 4awp by Molmil](/molmil-images/mine/4awp) | Complex of HSP90 ATPase domain with tropane derived inhibitors | Descriptor: | HEAT SHOCK PROTEIN HSP 90-ALPHA, N-{(3-endo)-8-[5-(benzylcarbamoyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2,5-dimethylbenzene-1,4-dicarboxamide | Authors: | Lougheed, J.C, Stout, T.J. | Deposit date: | 2012-06-05 | Release date: | 2012-08-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Discovery of Xl888: A Novel Tropane-Derived Small Molecule Inhibitor of Hsp90. Bioorg.Med.Chem.Lett., 22, 2012
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1U7O
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![BU of 1u7o by Molmil](/molmil-images/mine/1u7o) | Magnesium Dependent Phosphatase 1 (MDP-1) | Descriptor: | ACETATE ION, magnesium-dependent phosphatase-1 | Authors: | Peisach, E, Selengut, J.D, Dunaway-Mariano, D, Allen, K.N. | Deposit date: | 2004-08-04 | Release date: | 2004-10-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray crystal structure of the hypothetical phosphotyrosine phosphatase MDP-1 of the haloacid dehalogenase superfamily Biochemistry, 43, 2004
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5XL6
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![BU of 5xl6 by Molmil](/molmil-images/mine/5xl6) | |