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8JOP
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BU of 8jop by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with 11a
分子名称: 3C-like proteinase nsp5, methyl (6~{R})-5-ethanoyl-7-oxidanylidene-6-[4-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-6~{H}-benzo[b][1,4]benzodiazepine-2-carboxylate
著者Zeng, R, Liu, Y.Z, Wang, F.L, Yang, S.Y, Lei, J.
登録日2023-06-08
公開日2023-08-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of benzodiazepine derivatives as a new class of covalent inhibitors of SARS-CoV-2 main protease.
Bioorg.Med.Chem.Lett., 92, 2023
6IRL
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BU of 6irl by Molmil
Crystal structure of 8-mer peptide from avian influenza H5N1 virus in complex with BF2*1501
分子名称: ARG-ARG-GLU-VAL-HIS-THR-TYR-TYR, Beta-2-microglobulin, MHC class I molecule
著者Xiao, L, Zhang, L.
登録日2018-11-13
公開日2020-03-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of the MHC-I molecule BF2*1501 disclose the preferred presentation of an H5N1 virus-derived epitope.
J.Biol.Chem., 295, 2020
8IZL
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BU of 8izl by Molmil
Structure of the Mumps Virus L Protein Bound by Phosphoprotein Tetramer
分子名称: Phosphoprotein, RNA-directed RNA polymerase L, ZINC ION
著者Li, T.H, Shen, Q.T.
登録日2023-04-07
公開日2024-04-17
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献Structures of the mumps virus polymerase complex via cryo-electron microscopy.
Nat Commun, 15, 2024
4CDG
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BU of 4cdg by Molmil
Crystal structure of the Bloom's syndrome helicase BLM in complex with Nanobody
分子名称: ADENOSINE-5'-DIPHOSPHATE, BLOOM SYNDROME PROTEIN, NANOBODY, ...
著者Newman, J.A, Savitsky, P, Allerston, C.K, Pike, A.C.W, Pardon, E, Steyaert, J, Arrowsmith, C.H, von Delft, F, Bountra, C, Edwards, A, Gileadi, O.
登録日2013-10-31
公開日2013-11-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.794 Å)
主引用文献Crystal Structure of the Bloom'S Syndrome Helicase Indicates a Role for the Hrdc Domain in Conformational Changes.
Nucleic Acids Res., 43, 2015
4LG8
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BU of 4lg8 by Molmil
Crystal structure of PRPF19 WD40 repeats
分子名称: Pre-mRNA-processing factor 19, SODIUM ION, UNKNOWN ATOM OR ION
著者Xu, C, Tempel, W, He, H, Dobrovetsky, E, Seitova, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2013-06-27
公開日2013-08-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal structure of the WD40 domain of human PRPF19.
Biochem. Biophys. Res. Commun., 493, 2017
5AYW
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BU of 5ayw by Molmil
Structure of a membrane complex
分子名称: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
著者Huang, Y, Han, L, Zheng, J.
登録日2015-09-14
公開日2016-02-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.555 Å)
主引用文献Structure of the BAM complex and its implications for biogenesis of outer-membrane proteins
Nat.Struct.Mol.Biol., 23, 2016
4PNE
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BU of 4pne by Molmil
Crystal Structure of the [4+2]-Cyclase SpnF
分子名称: MALONATE ION, Methyltransferase-like protein, S-ADENOSYL-L-HOMOCYSTEINE
著者Fage, C.D, Isiorho, E.A, Liu, Y.-N, Liu, H.-W, Keatinge-Clay, A.T.
登録日2014-05-23
公開日2015-02-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The structure of SpnF, a standalone enzyme that catalyzes [4 + 2] cycloaddition.
Nat.Chem.Biol., 11, 2015
4CGZ
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BU of 4cgz by Molmil
Crystal structure of the Bloom's syndrome helicase BLM in complex with DNA
分子名称: 5'-D(*AP*GP*CP*GP*TP*CP*GP*AP*GP*AP*TP*CP)-3', 5'-D(*GP*AP*TP*CP*TP*CP*GP*AP*CP*GP*CP*TP*CP*DT *CP*CP*CP)-3', ADENOSINE-5'-DIPHOSPHATE, ...
著者Newman, J.A, Savitsky, P, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2013-11-27
公開日2013-12-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal Structure of the Bloom'S Syndrome Helicase Indicates a Role for the Hrdc Domain in Conformational Changes.
Nucleic Acids Res., 43, 2015
5GSA
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BU of 5gsa by Molmil
EED in complex with an allosteric PRC2 inhibitor
分子名称: Histone-lysine N-methyltransferase EZH2, N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-08-15
公開日2017-02-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献An allosteric PRC2 inhibitor targeting the H3K27me3 binding pocket of
Nat. Chem. Biol., 13, 2017
3MTS
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BU of 3mts by Molmil
Chromo Domain of Human Histone-Lysine N-Methyltransferase SUV39H1
分子名称: Histone-lysine N-methyltransferase SUV39H1
著者Lam, R, Li, Z, Wang, J, Crombet, L, Walker, J.R, Ouyang, H, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
登録日2010-04-30
公開日2010-06-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of the Human SUV39H1 Chromodomain and Its Recognition of Histone H3K9me2/3.
Plos One, 7, 2012
4YR9
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BU of 4yr9 by Molmil
mouse TDH with NAD+ bound
分子名称: GLYCEROL, L-threonine 3-dehydrogenase, mitochondrial, ...
著者He, C, Li, F.
登録日2015-03-14
公開日2016-02-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural insights on mouse l-threonine dehydrogenase: A regulatory role of Arg180 in catalysis
J.Struct.Biol., 192, 2015
7F9I
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BU of 7f9i by Molmil
The apo-form structure of EnrR
分子名称: EnrR repressor
著者Gan, J.H, Wang, Q.Y.
登録日2021-07-04
公開日2022-05-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Xenogeneic nucleoid-associated EnrR thwarts H-NS silencing of bacterial virulence with unique DNA binding.
Nucleic Acids Res., 50, 2022
7F9H
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BU of 7f9h by Molmil
complex structure of EnrR-DNA
分子名称: EnrR repressor, target DNA
著者Gan, J.H, Wang, Q.Y.
登録日2021-07-04
公開日2022-05-11
最終更新日2022-05-18
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Xenogeneic nucleoid-associated EnrR thwarts H-NS silencing of bacterial virulence with unique DNA binding.
Nucleic Acids Res., 50, 2022
7EUO
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BU of 7euo by Molmil
The structure of formyl peptide receptor 1 in complex with Gi and peptide agonist fMLF
分子名称: CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Wang, X.K, Chen, G, Liao, Q.W, Du, Y, Hu, H.L, Ye, D.Q.
登録日2021-05-18
公開日2022-05-25
最終更新日2022-12-07
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis for recognition of N-formyl peptides as pathogen-associated molecular patterns.
Nat Commun, 13, 2022
5YMR
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BU of 5ymr by Molmil
The Crystal Structure of IseG
分子名称: 2-hydroxyethylsulfonic acid, Formate acetyltransferase, GLYCEROL
著者Lin, L, Zhang, J, Xing, M, Hua, G, Guo, C, Hu, Y, Wei, Y, Ang, E, Zhao, H, Zhang, Y, Yuchi, Z.
登録日2017-10-22
公開日2019-03-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Radical-mediated C-S bond cleavage in C2 sulfonate degradation by anaerobic bacteria.
Nat Commun, 10, 2019
6NT2
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BU of 6nt2 by Molmil
type 1 PRMT in complex with the inhibitor GSK3368715
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, N~1~-({5-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl}methyl)-N~1~,N~2~-dimethylethane-1,2-diamine, ...
著者Concha, N.O.
登録日2019-01-28
公開日2019-07-10
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Anti-tumor Activity of the Type I PRMT Inhibitor, GSK3368715, Synergizes with PRMT5 Inhibition through MTAP Loss.
Cancer Cell, 36, 2019
5HXF
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BU of 5hxf by Molmil
Crystal structure of 3C protease from a mild Human enterovirus 71 in complex with rupintrivir
分子名称: 3C protease, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER, SULFATE ION
著者Li, B, Yuan, Z, Qin, L, Gu, L.
登録日2016-01-30
公開日2017-02-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Crystal structure of 3C protease from a mild Human enterovirus 71 in complex with rupintrivir
To Be Published
5ZU6
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BU of 5zu6 by Molmil
A CBM32 derived from alginate lyase B (AlyB-OU02)
分子名称: CBM32 domain, SODIUM ION
著者Liu, W, Lyu, Q, Zhang, K.
登録日2018-05-07
公開日2018-06-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural and biochemical characterization of a multidomain alginate lyase reveals a novel role of CBM32 in CAZymes
Biochim. Biophys. Acta, 1862, 2018
5ZU5
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BU of 5zu5 by Molmil
Crystal structure of a full length alginate lyase with CBM domain
分子名称: GLYCEROL, SODIUM ION, alginate lyase
著者Liu, W, Lyu, Q, Li, Z.
登録日2018-05-07
公開日2018-06-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and biochemical characterization of a multidomain alginate lyase reveals a novel role of CBM32 in CAZymes
Biochim. Biophys. Acta, 1862, 2018
5IM5
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BU of 5im5 by Molmil
Crystal structure of designed two-component self-assembling icosahedral cage I53-40
分子名称: Designed Keto-hydroxyglutarate-aldolase/keto-deoxy-phosphogluconate aldolase, Designed Riboflavin synthase
著者Liu, Y.A, Cascio, D, Sawaya, M.R, Bale, J.B, Collazo, M.J, Thomas, C, Sheffler, W, King, N.P, Baker, D, Yeates, T.O.
登録日2016-03-05
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.699 Å)
主引用文献Accurate design of megadalton-scale two-component icosahedral protein complexes.
Science, 353, 2016
5BPE
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BU of 5bpe by Molmil
Crystal structure of EV71 3Cpro in complex with a potent and selective Inhibitor
分子名称: (2~{S})-~{N}-[(1~{R},2~{S})-1-cyano-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-3-phenyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanamide, EV71 3Cpro
著者Luqing, S, Yin, Z.
登録日2015-05-28
公開日2015-11-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Cyanohydrin as an Anchoring Group for Potent and Selective Inhibitors of Enterovirus 71 3C Protease
J.Med.Chem., 58, 2015
5IM4
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BU of 5im4 by Molmil
Crystal structure of designed two-component self-assembling icosahedral cage I52-32
分子名称: 6,7-dimethyl-8-ribityllumazine synthase, Phosphotransferase system, mannose/fructose-specific component IIA
著者Liu, Y.A, Cascio, D, Sawaya, M.R, Bale, J.B, Collazo, M.J, Thomas, C, Sheffler, W, King, N.P, Baker, D, Yeates, T.O.
登録日2016-03-05
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Accurate design of megadalton-scale two-component icosahedral protein complexes.
Science, 353, 2016
5IM6
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BU of 5im6 by Molmil
Crystal structure of designed two-component self-assembling icosahedral cage I32-28
分子名称: Designed self-assembling icosahedral cage I32-28 dimeric subunit, Designed self-assembling icosahedral cage I32-28 trimeric subunit
著者Liu, Y.A, Cascio, D, Sawaya, M.R, Bale, J.B, Collazo, M.J, Thomas, C, Sheffler, W, King, N.P, Baker, D, Yeates, T.O.
登録日2016-03-05
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (5.588 Å)
主引用文献Accurate design of megadalton-scale two-component icosahedral protein complexes.
Science, 353, 2016
7N4X
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BU of 7n4x by Molmil
Structure of human NPC1L1 mutant-W347R
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
著者Li, X, Long, T.
登録日2021-06-04
公開日2021-09-01
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (3.33 Å)
主引用文献Structures of dimeric human NPC1L1 provide insight into mechanisms for cholesterol absorption.
Sci Adv, 7, 2021
7N4U
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Structure of human NPC1L1
分子名称: (2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]CHROMAN-6-OL, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Li, X, Long, T.
登録日2021-06-04
公開日2021-09-01
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献Structures of dimeric human NPC1L1 provide insight into mechanisms for cholesterol absorption.
Sci Adv, 7, 2021

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