9EZZ
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9EZX
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![BU of 9ezx by Molmil](/molmil-images/mine/9ezx) | Vibrio cholerae DdmD apo complex | Descriptor: | Helicase/UvrB N-terminal domain-containing protein | Authors: | Loeff, L, Jinek, M. | Deposit date: | 2024-04-14 | Release date: | 2024-06-19 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (2.55 Å) | Cite: | Molecular mechanism of plasmid elimination by the DdmDE defense system. Science, 2024
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9EZJ
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![BU of 9ezj by Molmil](/molmil-images/mine/9ezj) | Apo human TDO in complex with a bound inhibitor (Cpd-4) | Descriptor: | Tryptophan 2,3-dioxygenase, alpha-methyl-L-tryptophan, ethyl (9~{R})-2-methoxy-4-oxidanylidene-9-[[(1~{S})-1-phenylethyl]-[(2-propan-2-ylphenyl)carbamoyl]amino]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylate | Authors: | Wicki, M, Mac Sweeney, A. | Deposit date: | 2024-04-12 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.612 Å) | Cite: | Discovery and binding mode of small molecule inhibitors of the apo form of human TDO2 To Be Published
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9EZ8
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![BU of 9ez8 by Molmil](/molmil-images/mine/9ez8) | Cryo-EM structure of the icosahedral lumazine synthase from Vicia faba. | Descriptor: | 6,7-dimethyl-8-ribityllumazine synthase | Authors: | Chee, M, Trapani, S, Hoh, F, Lai Kee Him, J, Yvon, M, Blanc, S, Bron, P. | Deposit date: | 2024-04-11 | Release date: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Cryo-EM structure of the icosahedral lumazine synthase from Vicia faba. To Be Published
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9EZ2
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![BU of 9ez2 by Molmil](/molmil-images/mine/9ez2) | Vitamin D receptor complex with 1,4b,25-trihydroxyvitamin D3 | Descriptor: | 1,4b,25-trihydroxyvitamin D3, ACETATE ION, Nuclear receptor coactivator 2, ... | Authors: | Rochel, N. | Deposit date: | 2024-04-10 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 4-Hydroxy-1 alpha ,25-Dihydroxyvitamin D 3 : Synthesis and Structure-Function Study. Biomolecules, 14, 2024
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9EZ1
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![BU of 9ez1 by Molmil](/molmil-images/mine/9ez1) | Vitamin D receptor in complex with 1,4a,25-trihydroxyvitamin D3 | Descriptor: | 1,4a,25-trihydroxyvitamin D3, ACETATE ION, Nuclear receptor coactivator 2, ... | Authors: | Rochel, N. | Deposit date: | 2024-04-10 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 4-Hydroxy-1 alpha ,25-Dihydroxyvitamin D 3 : Synthesis and Structure-Function Study. Biomolecules, 14, 2024
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9EYR
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![BU of 9eyr by Molmil](/molmil-images/mine/9eyr) | VDR complex with gemini analog UG-480 | Descriptor: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{R})-5-methyl-1-[(1~{S},2~{S})-2-(3-methyl-3-oxidanyl-butyl)cyclopropyl]-5-oxidanyl-hexyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | Authors: | Rochel, N. | Deposit date: | 2024-04-09 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Design, Synthesis, and Biological Evaluation of New Type of Gemini Analogues with a Cyclopropane Moiety in Their Side Chain. J.Med.Chem., 2024
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9EY8
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![BU of 9ey8 by Molmil](/molmil-images/mine/9ey8) | Crystal structure of human tyrosinase-related protein 1 (TYRP1) in complex with (s)-amino-L-tyrosine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ng, Y.M, Soler-Lopez, M. | Deposit date: | 2024-04-09 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Interactions of phenylalanine derivatives with human tyrosinase: lessons from experimental and theoretical studies. Chembiochem, 2024
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9EY7
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9EY6
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![BU of 9ey6 by Molmil](/molmil-images/mine/9ey6) | Crystal structure of human tyrosinase-related protein 1 (TYRP1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 5,6-dihydroxyindole-2-carboxylic acid oxidase, ... | Authors: | Ng, Y.M, Soler-Lopez, M. | Deposit date: | 2024-04-09 | Release date: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.228 Å) | Cite: | Interactions of phenylalanine derivatives with human tyrosinase: lessons from experimental and theoretical studies. Chembiochem, 2024
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9EY5
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9EY4
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![BU of 9ey4 by Molmil](/molmil-images/mine/9ey4) | The FK1 domain of FKBP51 in complex with (3S,11S)-12-((3,5-dichlorophenyl)sulfonyl)-5-oxo-11-vinyldecahydro-1H-6,10-epiminopyrrolo[1,2-a]azonine-3-carboxamide | Descriptor: | (1~{S},4~{S},7~{S},8~{S},9~{R})-13-[3,5-bis(chloranyl)phenyl]sulfonyl-8-ethenyl-2-oxidanylidene-3,13-diazatricyclo[7.3.1.0^{3,7}]tridecane-4-carboxamide, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Krajczy, P, Hausch, F. | Deposit date: | 2024-04-09 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Structure-Based Design of Ultrapotent Tricyclic Ligands for FK506-Binding proteins. Chemistry, 2024
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9EY3
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![BU of 9ey3 by Molmil](/molmil-images/mine/9ey3) | The FK1 domain of FKBP51 in complex with (3S,11S,11aS)-12-((3,5-dichlorophenyl)sulfonyl)-5-oxo-11-vinyldecahydro-1H-6,10-epiminopyrrolo[1,2-a]azonine-3-carboxylic acid | Descriptor: | (1~{S},4~{S},7~{S},8~{S},9~{R})-13-[3,5-bis(chloranyl)phenyl]sulfonyl-8-ethenyl-2-oxidanylidene-3,13-diazatricyclo[7.3.1.0^{3,7}]tridecane-4-carboxylic acid, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Krajczy, P, Hausch, F. | Deposit date: | 2024-04-09 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Structure-Based Design of Ultrapotent Tricyclic Ligands for FK506-Binding proteins. Chemistry, 2024
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9EXY
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![BU of 9exy by Molmil](/molmil-images/mine/9exy) | Crystal structure of the PWWP1 domain of NSD2 bound by compound 34. | Descriptor: | 7-[5-methyl-3-[2-methyl-5-(piperidin-1-ylmethyl)phenyl]-1,2-oxazol-4-yl]-4~{H}-1,4-benzoxazin-3-one, Histone-lysine N-methyltransferase NSD2 | Authors: | Collie, G.W. | Deposit date: | 2024-04-09 | Release date: | 2024-05-29 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.699 Å) | Cite: | Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches. J.Med.Chem., 67, 2024
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9EXX
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![BU of 9exx by Molmil](/molmil-images/mine/9exx) | Crystal structure of the PWWP1 domain of NSD2 bound by compound 18. | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[1-methyl-5-(3-oxidanylidene-4~{H}-1,4-benzoxazin-7-yl)imidazol-4-yl]-~{N}-phenyl-benzamide, ETHANOL, ... | Authors: | Collie, G.W. | Deposit date: | 2024-04-09 | Release date: | 2024-05-29 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.943 Å) | Cite: | Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches. J.Med.Chem., 67, 2024
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9EXW
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![BU of 9exw by Molmil](/molmil-images/mine/9exw) | Crystal structure of the PWWP1 domain of NSD2 bound by compound 17. | Descriptor: | 1,2-ETHANEDIOL, 7-[3-methyl-5-[2-methyl-5-[(pyridin-3-ylamino)methyl]phenyl]imidazol-4-yl]-4~{H}-1,4-benzoxazin-3-one, Histone-lysine N-methyltransferase NSD2 | Authors: | Collie, G.W. | Deposit date: | 2024-04-09 | Release date: | 2024-05-29 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches. J.Med.Chem., 67, 2024
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9EX2
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![BU of 9ex2 by Molmil](/molmil-images/mine/9ex2) | X-ray structure of a polyoxidovanadate/lysozyme adduct obtained when the protein is treated with [VIVO(acac)2] in 1.1 M NaCl, 0.1 M sodium acetate at pH 4.0 (Structure C) | Descriptor: | CHLORIDE ION, Lysozyme C, Polyoxidovanadate complex, ... | Authors: | Tito, G, Merlino, A, Ferraro, G. | Deposit date: | 2024-04-05 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.172 Å) | Cite: | Non-Covalent and Covalent Binding of New Mixed-Valence Cage-like Polyoxidovanadate Clusters to Lysozyme. Angew.Chem.Int.Ed.Engl., 2024
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9EX1
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9EX0
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![BU of 9ex0 by Molmil](/molmil-images/mine/9ex0) | X-ray structure of a polyoxidovanadate/lysozyme adduct obtained when the protein is treated with [VIVO(acac)2] in 1.1 M NaCl, 0.1 M sodium acetate at pH 4.0 (Structure A) | Descriptor: | CHLORIDE ION, Lysozyme C, Polyoxidovanadate complex, ... | Authors: | Tito, G, Merlino, A, Ferraro, G. | Deposit date: | 2024-04-05 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Non-Covalent and Covalent Binding of New Mixed-Valence Cage-like Polyoxidovanadate Clusters to Lysozyme. Angew.Chem.Int.Ed.Engl., 2024
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9EWX
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![BU of 9ewx by Molmil](/molmil-images/mine/9ewx) | Cryo-EM structure of the Pseudomonas aeruginosa PAO1 Type IV pilus | Descriptor: | Pilin | Authors: | Ochner, H, Boehning, J, Wang, Z, Tarafder, A, Caspy, I, Bharat, T.A.M. | Deposit date: | 2024-04-05 | Release date: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.17 Å) | Cite: | Structure of the Pseudomonas aeruginosa PAO1 Type-IV pilus To Be Published
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9EWQ
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9EWO
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![BU of 9ewo by Molmil](/molmil-images/mine/9ewo) | Mpro from SARS-CoV-2 with R4A R298A double mutations | Descriptor: | Non-structural protein 11, SULFATE ION | Authors: | Plewka, J, Lis, K, Chykunova, Y, Czarna, A, Kantyka, T, Pyrc, K. | Deposit date: | 2024-04-04 | Release date: | 2024-04-17 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (3.002 Å) | Cite: | SARS-CoV-2 M pro oligomerization as a potential target for therapy. Int.J.Biol.Macromol., 267, 2024
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9EWN
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![BU of 9ewn by Molmil](/molmil-images/mine/9ewn) | Mpro from SARS-CoV-2 with 4Q mutation | Descriptor: | Non-structural protein 11 | Authors: | Plewka, J, Lis, K, Czarna, A, Kantyka, T, Pyrc, K. | Deposit date: | 2024-04-04 | Release date: | 2024-04-17 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.113 Å) | Cite: | SARS-CoV-2 M pro oligomerization as a potential target for therapy. Int.J.Biol.Macromol., 267, 2024
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9EWM
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![BU of 9ewm by Molmil](/molmil-images/mine/9ewm) | Mpro from SARS-CoV-2 with R4Q R298Q double mutations | Descriptor: | Non-structural protein 11 | Authors: | Plewka, J, Lis, K, Chykunova, Y, Czarna, A, Kantyka, T, Pyrc, K. | Deposit date: | 2024-04-04 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | SARS-CoV-2 M pro oligomerization as a potential target for therapy. Int.J.Biol.Macromol., 267, 2024
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9EVX
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![BU of 9evx by Molmil](/molmil-images/mine/9evx) | cryoEM structure of Photosystem II averaged across S2-S3 states at 1.71 Angstrom resolution | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Hussein, R, Graca, A, Zouni, A, Messinger, J, Schroder, W.P. | Deposit date: | 2024-04-02 | Release date: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (1.71 Å) | Cite: | Cryo-electron microscopy reveals hydrogen positions and water networks in photosystem II Science, 2024
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