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4LWT
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BU of 4lwt by Molmil
The 1.6A Crystal Structure of Humanized Xenopus MDM2 with RO5027344
Descriptor: (3S)-3-[(3R)-1-acetylpiperidin-3-yl]-6-chloro-3-(3-chlorobenzyl)-1,3-dihydro-2H-indol-2-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:Graves, B.J, Lukacs, C, Kammlott, U.
Deposit date:2013-07-28
Release date:2014-07-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of potent and selective spiroindolinone MDM2 inhibitor, RO8994, for cancer therapy.
Bioorg.Med.Chem., 22, 2014
7F7E
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BU of 7f7e by Molmil
SARS-CoV-2 S protein RBD in complex with A5-10 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of A5-10 Fab, Light chain of A5-10 Fab, ...
Authors:Dou, Y, Wang, X, Wang, K, Liu, P, Lu, B.
Deposit date:2021-06-29
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Etesevimab in combination with JS026 neutralizing SARS-CoV-2 and its variants.
Emerg Microbes Infect, 11, 2022
5DRT
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BU of 5drt by Molmil
Crystal structure of Dot1L in complex with inhibitor CPD2 [2-(2-(5-((2-chlorophenoxy)methyl)-1H-tetrazol-1-yl)acetyl)-N-(4-chlorophenyl)hydrazinecarboxamide]
Descriptor: 2-({5-[(2-chlorophenoxy)methyl]-1H-tetrazol-1-yl}acetyl)-N-(4-chlorophenyl)hydrazinecarboxamide, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
Authors:Scheufler, C, Gaul, C, Be, C, Moebitz, H.
Deposit date:2015-09-16
Release date:2016-06-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach.
Acs Med.Chem.Lett., 7, 2016
4JRG
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BU of 4jrg by Molmil
The 1.9A crystal structure of humanized Xenopus MDM2 with RO5313109 - a pyrrolidine MDM2 inhibitor
Descriptor: (3R,4R,5S)-3-(3-chlorophenyl)-4-(4-chlorophenyl)-4-cyano-N-[(3S)-3,4-dihydroxybutyl]-5-(2,2-dimethylpropyl)-D-prolinamide, E3 ubiquitin-protein ligase Mdm2
Authors:Graves, B.J, Janson, C.A, Lukacs, C.
Deposit date:2013-03-21
Release date:2013-07-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of RG7388, a Potent and Selective p53-MDM2 Inhibitor in Clinical Development.
J.Med.Chem., 56, 2013
5C5K
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BU of 5c5k by Molmil
Structure of the Pfr form of a canonical phytochrome
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, BILIVERDINE IX ALPHA, ...
Authors:Burgie, E.S, Vierstra, R.D.
Deposit date:2015-06-20
Release date:2016-02-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Crystal Structure of Deinococcus Phytochrome in the Photoactivated State Reveals a Cascade of Structural Rearrangements during Photoconversion.
Structure, 24, 2016
5DSX
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BU of 5dsx by Molmil
Crystal structure of Dot1L in complex with inhibitor CPD10 [6'-chloro-1,4-dimethyl-5'-(2-methyl-6-((4-(methylamino)pyrimidin-2-yl)amino)-1H-indol-1-yl)-[3,3'-bipyridin]-2(1H)-one]
Descriptor: 6'-chloro-1,4-dimethyl-5'-(2-methyl-6-{[4-(methylamino)pyrimidin-2-yl]amino}-1H-indol-1-yl)-3,3'-bipyridin-2(1H)-one, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
Authors:Scheufler, C, Gaul, C, Be, C, Moebitz, H.
Deposit date:2015-09-17
Release date:2016-06-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach.
Acs Med.Chem.Lett., 7, 2016
5DT2
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BU of 5dt2 by Molmil
Crystal structure of Dot1L in complex with inhibitor CPD11 [N4-methyl-N2-(2-methyl-1-(2-phenoxyphenyl)-1H-indol-6-yl)pyrimidine-2,4-diamine]
Descriptor: Histone-lysine N-methyltransferase, H3 lysine-79 specific, N~4~-methyl-N~2~-[2-methyl-1-(2-phenoxyphenyl)-1H-indol-6-yl]pyrimidine-2,4-diamine, ...
Authors:Scheufler, C, Gaul, C, Be, C, Moebitz, H.
Deposit date:2015-09-17
Release date:2016-06-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach.
Acs Med.Chem.Lett., 7, 2016
5DRY
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BU of 5dry by Molmil
Crystal structure of Dot1L in complex with inhibitor CPD3 [N-(1-(2-chlorophenyl)-1H-indol-6-yl)-2-(2-(5-(2-chlorophenyl)-1H-tetrazol-1-yl)acetyl)hydrazinecarboxamide]
Descriptor: Histone-lysine N-methyltransferase, H3 lysine-79 specific, N-[1-(2-chlorophenyl)-1H-indol-6-yl]-2-{[5-(2-chlorophenyl)-1H-tetrazol-1-yl]acetyl}hydrazinecarboxamide, ...
Authors:Scheufler, C, Gaul, C, Be, C, Moebitz, H.
Deposit date:2015-09-16
Release date:2016-06-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach.
Acs Med.Chem.Lett., 7, 2016
3VTR
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BU of 3vtr by Molmil
Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 E328A complexed with TMG-chitotriomycin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-deoxy-2-(trimethylammonio)-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetylglucosaminidase
Authors:Liu, T, Zhou, Y, Chen, L, Chen, W, Liu, L, Shen, X, Yang, Q.
Deposit date:2012-06-02
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into cellulolytic and chitinolytic enzymes revealing crucial residues of insect beta-N-acetyl-D-hexosaminidase
Plos One, 7, 2012
7WIN
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BU of 7win by Molmil
Crystal structure of BAZ2B TAM domain
Descriptor: Bromodomain adjacent to zinc finger domain protein 2B
Authors:Feng, Y.Y, Liu, K, Min, J.R.
Deposit date:2022-01-04
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of the BAZ2B TAM domain.
Heliyon, 8, 2022
7W1Q
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BU of 7w1q by Molmil
The structure of the Arabidopsis thaliana guanosine deaminase mutant E82Q complexed with 2'-O-methylguanosine
Descriptor: Guanosine deaminase, O2'-METHYLGUANOSINE-5'-MONOPHOSPHATE, ZINC ION
Authors:Xie, W, Jia, Q, Zeng, H.
Deposit date:2021-11-19
Release date:2022-11-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Substrate Specificity of GSDA Revealed by Cocrystal Structures and Binding Studies.
Int J Mol Sci, 23, 2022
4J3K
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BU of 4j3k by Molmil
Structure of the N-terminal domian of human coronavirus OC43 nucleocapsid protein
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Nucleoprotein
Authors:Chen, I.J, Lin, S.Y, Hou, M.H.
Deposit date:2013-02-05
Release date:2013-05-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure-based exploration of the important role of Arg106 in the RNA-binding domain of human coronavirus OC43 nucleocapsid protein
Biochim.Biophys.Acta, 1834, 2013
7X39
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BU of 7x39 by Molmil
Structure of CIZ1 bound ERH
Descriptor: Enhancer of rudimentary homolog,Cip1-interacting zinc finger protein
Authors:Wang, X, Xu, C.
Deposit date:2022-02-28
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Molecular basis for the recognition of CIZ1 by ERH.
Febs J., 290, 2023
7XGY
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BU of 7xgy by Molmil
cryo-EM structure of hemoglobin
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
Authors:Liu, N, Wang, H.W.
Deposit date:2022-04-07
Release date:2022-11-09
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Uniform thin ice on ultraflat graphene for high-resolution cryo-EM.
Nat.Methods, 20, 2023
8GKA
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BU of 8gka by Molmil
Human TRPV3 tetramer structure, closed conformation
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, Transient receptor potential cation channel subfamily V member 3
Authors:Lansky, S, Betancourt, J.M, Scheuring, S.
Deposit date:2023-03-17
Release date:2023-09-06
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (2.55 Å)
Cite:A pentameric TRPV3 channel with a dilated pore.
Nature, 621, 2023
8GKG
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BU of 8gkg by Molmil
Human TRPV3 pentamer structure
Descriptor: Transient receptor potential cation channel subfamily V member 3
Authors:Lansky, S, Betancourt, J.M, Scheuring, S.
Deposit date:2023-03-18
Release date:2023-09-06
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (4.38 Å)
Cite:A pentameric TRPV3 channel with a dilated pore.
Nature, 621, 2023
4OUS
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BU of 4ous by Molmil
Crystal structure of zebrafish Caprin-2 C1q domain
Descriptor: CALCIUM ION, Caprin-2
Authors:Song, X, Li, L.
Deposit date:2014-02-18
Release date:2014-10-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Structural insights into the C1q domain of Caprin-2 in canonical Wnt signaling
J.Biol.Chem., 289, 2014
4ONL
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BU of 4onl by Molmil
Crystal structure of human Mms2/Ubc13_D81N, R85S, A122V, N123P
Descriptor: Ubiquitin-conjugating enzyme E2 N, Ubiquitin-conjugating enzyme E2 variant 2
Authors:Hodge, C.D, Edwards, R.A, Glover, J.N.M.
Deposit date:2014-01-28
Release date:2015-05-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Covalent Inhibition of Ubc13 Affects Ubiquitin Signaling and Reveals Active Site Elements Important for Targeting.
Acs Chem.Biol., 10, 2015
4OUL
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BU of 4oul by Molmil
Crystal structure of human Caprin-2 C1q domain
Descriptor: CALCIUM ION, Caprin-2, GLYCEROL
Authors:Song, X, Li, L.
Deposit date:2014-02-17
Release date:2014-10-29
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.949 Å)
Cite:Structural insights into the C1q domain of Caprin-2 in canonical Wnt signaling
J.Biol.Chem., 289, 2014
7EBK
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BU of 7ebk by Molmil
Mouse Trim66 PHD-Bromo dual domain complexed with the H3(1-24)K9me3K18ac peptide
Descriptor: H3K9me3K18ac, Tripartite motif-containing protein 66, ZINC ION
Authors:Wang, Z, Jiang, J.
Deposit date:2021-03-09
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:A TRIM66/DAX1/Dux axis suppresses the totipotent 2-cell-like state in murine embryonic stem cells.
Cell Stem Cell, 29, 2022
3C0C
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BU of 3c0c by Molmil
X-ray Crystal Structure of the Rat Endophilin A2 SH3 Domain
Descriptor: Endophilin-A2
Authors:Loll, P.J, Swain, E.
Deposit date:2008-01-19
Release date:2008-03-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the SH3 domain of rat endophilin A2
To be Published
5Y4U
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BU of 5y4u by Molmil
Crystal structure of Grx domain of Grx3 from Saccharomyces cerevisiae
Descriptor: Monothiol glutaredoxin-3
Authors:Chi, C.B, Tang, Y.J, Zhang, J.H, Dai, Y.N, Abdalla, M, Chen, Y.X, Zhou, C.Z.
Deposit date:2017-08-05
Release date:2018-08-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and Biochemical Insights into the Multiple Functions of Yeast Grx3.
J.Mol.Biol., 430, 2018
8H3X
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BU of 8h3x by Molmil
Bacteroide Fragilis Toxin in complex with nanobody 282
Descriptor: Fragilysin, ZINC ION, nanobody 282
Authors:Wen, Y, Guo, Y.
Deposit date:2022-10-09
Release date:2023-02-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Screening and epitope characterization of diagnostic nanobody against total and activated Bacteroides fragilis toxin.
Front Immunol, 14, 2023
8H3Y
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BU of 8h3y by Molmil
Bacteroide Fragilis Toxin in complex with nanobody 327
Descriptor: Fragilysin, Nanobody 327, ZINC ION
Authors:Wen, Y, Guo, Y.
Deposit date:2022-10-09
Release date:2023-02-08
Last modified:2023-03-15
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Screening and epitope characterization of diagnostic nanobody against total and activated Bacteroides fragilis toxin.
Front Immunol, 14, 2023
5Y4T
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BU of 5y4t by Molmil
Crystal structure of Trx domain of Grx3 from Saccharomyces cerevisiae
Descriptor: GLYCEROL, Glutaredoxin
Authors:Chi, C.B, Tang, Y.J, Zhang, J.H, Dai, Y.N, Abdalla, M, Chen, Y.X, Zhou, C.Z.
Deposit date:2017-08-05
Release date:2018-08-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural and Biochemical Insights into the Multiple Functions of Yeast Grx3.
J.Mol.Biol., 430, 2018

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數據於2024-09-11公開中

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