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9EZZ
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Bacterial histone protein HBb from Bdellovibrio bacteriovorus bound to DNA
Descriptor: DNA (5'-D(P*AP*GP*CP*CP*C)-3'), DNA (5'-D(P*GP*GP*GP*CP*T)-3'), PHOSPHATE ION, ...
Authors:Hu, Y, Albrecht, R, Hartmann, M.D.
Deposit date:2024-04-14
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Bacterial histone HBb from Bdellovibrio bacteriovorus compacts DNA by bending.
Nucleic Acids Res., 2024
9EZX
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BU of 9ezx by Molmil
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
9EZJ
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BU of 9ezj by Molmil
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
9EZ8
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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
9EZ2
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BU of 9ez2 by Molmil
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
9EZ1
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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
9EYR
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BU of 9eyr by Molmil
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
9EY8
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BU of 9ey8 by Molmil
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
9EY7
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BU of 9ey7 by Molmil
Crystal structure of human tyrosinase-related protein 1 (TYRP1) in complex with (R)-2,4-dihydroxyphenylalanine
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-hydroxy-L-tyrosine, ...
Authors:Ng, Y.M, Soler-Lopez, M.
Deposit date:2024-04-09
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Interactions of phenylalanine derivatives with human tyrosinase: lessons from experimental and theoretical studies.
Chembiochem, 2024
9EY6
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BU of 9ey6 by Molmil
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
9EY5
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BU of 9ey5 by Molmil
Crystal structure of human tyrosinase-related protein 1 (TYRP1) in complex with (S)-2,4-dihydroxyphenylalanine
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-hydroxy-L-tyrosine, ...
Authors:Ng, Y.M, Soler-Lopez, M.
Deposit date:2024-04-09
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Interactions of phenylalanine derivatives with human tyrosinase: lessons from experimental and theoretical studies.
Chembiochem, 2024
9EY4
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BU of 9ey4 by Molmil
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
9EY3
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BU of 9ey3 by Molmil
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
9EXY
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BU of 9exy by Molmil
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
9EXX
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BU of 9exx by Molmil
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
9EXW
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BU of 9exw by Molmil
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
9EX2
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BU of 9ex2 by Molmil
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
9EX1
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BU of 9ex1 by Molmil
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 B)
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 (1.785 Å)
Cite:Non-Covalent and Covalent Binding of New Mixed-Valence Cage-like Polyoxidovanadate Clusters to Lysozyme.
Angew.Chem.Int.Ed.Engl., 2024
9EX0
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BU of 9ex0 by Molmil
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
9EWX
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BU of 9ewx by Molmil
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
9EWQ
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BU of 9ewq by Molmil
Influenza virus neuraminidase N1 NC13 ectodomain with a tetrabrachio-domain stalk
Descriptor: Neuraminidase
Authors:Roelofs, M.C, Zeev-Ben-Mordehai, T.
Deposit date:2024-04-04
Release date:2024-04-24
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Nanoparticle display of neuraminidase elicits enhanced antibody responses and protection against influenza A virus challenge.
Npj Vaccines, 9, 2024
9EWO
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BU of 9ewo by Molmil
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
9EWN
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BU of 9ewn by Molmil
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
9EWM
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BU of 9ewm by Molmil
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
9EVX
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BU of 9evx by Molmil
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

221716

건을2024-06-26부터공개중

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