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3SGV
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BU of 3sgv by Molmil
Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1290
分子名称: 2-{[3-(3,4-dimethylphenoxy)phenyl]carbamoyl}-4-nitrobenzoic acid, Undecaprenyl pyrophosphate synthase
著者Cao, R, Liu, Y.-L, Oldfield, E.
登録日2011-06-15
公開日2012-12-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
3SGX
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BU of 3sgx by Molmil
Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1100
分子名称: 4-{3-[(biphenyl-4-ylcarbonyl)amino]phenoxy}benzene-1,2-dicarboxylic acid, Undecaprenyl pyrophosphate synthase
著者Cao, R, Liu, Y.-L, Oldfield, E.
登録日2011-06-15
公開日2012-12-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
8TDQ
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BU of 8tdq by Molmil
SFX-XFEL structure of CYP121 cocrystallized with substrate cYY
分子名称: (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Nguyen, R.C, Dasgupta, M, Bhowmick, A, Kern, J.F, Liu, A.
登録日2023-07-04
公開日2023-11-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献In Situ Structural Observation of a Substrate- and Peroxide-Bound High-Spin Ferric-Hydroperoxo Intermediate in the P450 Enzyme CYP121.
J.Am.Chem.Soc., 145, 2023
8TDP
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BU of 8tdp by Molmil
Time-resolved SFX-XFEL crystal structure of CYP121 bound with cYY reacted with peracetic acid for 200 milliseconds
分子名称: (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, HYDROGEN PEROXIDE, Mycocyclosin synthase, ...
著者Nguyen, R.C, Dasgupta, M, Bhowmick, A, Kern, J.F, Liu, A.
登録日2023-07-04
公開日2023-11-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献In Situ Structural Observation of a Substrate- and Peroxide-Bound High-Spin Ferric-Hydroperoxo Intermediate in the P450 Enzyme CYP121.
J.Am.Chem.Soc., 145, 2023
8QEN
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BU of 8qen by Molmil
cryo-EM structure of apo Clostridioides difficile toxin B
分子名称: Toxin B, ZINC ION
著者Kinsolving, J, Bous, J, Structural Genomics Consortium (SGC)
登録日2023-09-01
公開日2024-03-20
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural and functional insight into the interaction of Clostridioides difficile toxin B and FZD 7.
Cell Rep, 43, 2024
8QEO
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BU of 8qeo by Molmil
cryo-EM structure complex of Frizzled-7 and Clostridioides difficile toxin B
分子名称: Frizzled-7, Toxin B, ZINC ION
著者Kinsolving, J, Bous, J.
登録日2023-09-01
公開日2024-03-20
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献Structural and functional insight into the interaction of Clostridioides difficile toxin B and FZD 7.
Cell Rep, 43, 2024
8SWE
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BU of 8swe by Molmil
FGFR2 Kinase Domain Bound to Reversible Inhibitor Cmpd 3
分子名称: Fibroblast growth factor receptor 2, GLUTATHIONE, GLYCEROL, ...
著者Valverde, R, Foster, L.
登録日2023-05-18
公開日2024-02-14
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Discovery of lirafugratinib (RLY-4008), a highly selective irreversible small-molecule inhibitor of FGFR2.
Proc.Natl.Acad.Sci.USA, 121, 2024
8JEU
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BU of 8jeu by Molmil
Conformation 2 of the plant potassium channel SKOR
分子名称: Potassium channel SKOR
著者Liu, S, Li, S, Sun, D, Tian, C.
登録日2023-05-16
公開日2023-08-30
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM structure reveals a symmetry reduction of the plant outward-rectifier potassium channel SKOR.
Cell Discov, 9, 2023
8JET
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BU of 8jet by Molmil
Conformation 1 of the plant potassium channel SKOR
分子名称: Potassium channel SKOR
著者Liu, S, Li, S, Sun, D, Tian, C.
登録日2023-05-16
公開日2023-08-30
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM structure reveals a symmetry reduction of the plant outward-rectifier potassium channel SKOR.
Cell Discov, 9, 2023
8JEC
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BU of 8jec by Molmil
plant potassium channel SKOR mutant - L271P/D312N
分子名称: Potassium channel SKOR
著者Liu, S, Li, S, Tian, C.
登録日2023-05-15
公開日2023-08-30
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM structure reveals a symmetry reduction of the plant outward-rectifier potassium channel SKOR.
Cell Discov, 9, 2023
8OQI
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BU of 8oqi by Molmil
Cryo-EM structure of the wild-type alpha-synuclein fibril.
分子名称: Alpha-synuclein
著者Pesch, V, Reithofer, S, Ma, L, Flores-Fernandez, J.M, Oezduezenciler, P, Busch, Y, Lien, Y, Rudtke, O, Frieg, B, Schroeder, G.F, Wille, H, Tamgueney, G.
登録日2023-04-12
公開日2024-03-13
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Vaccination with structurally adapted fungal protein fibrils induces immunity to Parkinson's disease.
Brain, 147, 2024
7CJT
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BU of 7cjt by Molmil
Crystal Structure of SETDB1 Tudor domain in complexed with (R,R)-59
分子名称: 2-[[(3~{R},5~{R})-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-3-prop-2-enyl-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one, Histone-lysine N-methyltransferase SETDB1
著者Guo, Y.P, Liang, X, Mao, X, Wu, C, Luyi, H, Yang, S.
登録日2020-07-13
公開日2021-04-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.474 Å)
主引用文献Structure-Guided Discovery of a Potent and Selective Cell-Active Inhibitor of SETDB1 Tudor Domain.
Angew.Chem.Int.Ed.Engl., 60, 2021
7CAJ
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BU of 7caj by Molmil
Crystal structure of SETDB1 Tudor domain in complexed with Compound 2.
分子名称: 3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one, Histone-lysine N-methyltransferase SETDB1
著者Guo, Y.P, Liang, X, Xin, M, Luyi, H, Chengyong, W, Yang, S.Y.
登録日2020-06-08
公開日2021-04-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.198 Å)
主引用文献Structure-Guided Discovery of a Potent and Selective Cell-Active Inhibitor of SETDB1 Tudor Domain.
Angew.Chem.Int.Ed.Engl., 60, 2021
5YX2
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BU of 5yx2 by Molmil
Crystal structure of DNMT3A-DNMT3L in complex with DNA containing two CpG sites
分子名称: DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3A, ...
著者Zhang, Z.M, Song, J.
登録日2017-12-01
公開日2018-01-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.653 Å)
主引用文献Structural basis for DNMT3A-mediated de novo DNA methylation.
Nature, 554, 2018
7CHO
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BU of 7cho by Molmil
Crystal structure of SARS-CoV-2 antibody P5A-1D2 with RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P5A-1D2 heavy chain, ...
著者Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q.
登録日2020-07-06
公開日2021-05-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.561 Å)
主引用文献Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2.
Nat Commun, 12, 2021
7CHS
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BU of 7chs by Molmil
Crystal structure of SARS-CoV-2 antibody P22A-1D1 with RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P22A-1D1 heavy chain, ...
著者Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q.
登録日2020-07-06
公開日2021-05-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2.
Nat Commun, 12, 2021
7CHP
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BU of 7chp by Molmil
Crystal structure of SARS-CoV-2 antibody P5A-3C8 with RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P5A-3C8 heavy chain, ...
著者Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q.
登録日2020-07-06
公開日2021-05-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.357 Å)
主引用文献Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2.
Nat Commun, 12, 2021
6A7W
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BU of 6a7w by Molmil
Structure of a catalytic domain of the colistin resistance enzyme
分子名称: Putative integral membrane protein, ZINC ION
著者Wang, X.D, Chai, Y, Qi, J.X, Gao, G.F.
登録日2018-07-04
公開日2018-11-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.988 Å)
主引用文献Structural and functional insights into MCR-2 mediated colistin resistance.
Sci China Life Sci, 61, 2018
7CPC
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BU of 7cpc by Molmil
His-Mediated Reversible Self-assembly of Ferritin Nanocage with Ni binding
分子名称: FE (III) ION, Ferritin, NICKEL (II) ION
著者Gu, C, Zhang, T, Zhao, G.
登録日2020-08-06
公開日2021-06-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献His-Mediated Reversible Self-Assembly of Ferritin Nanocages through Two Different Switches for Encapsulation of Cargo Molecules.
Acs Nano, 2020
7CPI
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BU of 7cpi by Molmil
His-Mediated Reversible Self-assembly of Ferritin Nanocage with Zn binding
分子名称: FE (III) ION, Ferritin, ZINC ION
著者Gu, C, Zhang, T, Zhao, G.
登録日2020-08-07
公開日2021-06-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.602 Å)
主引用文献His-Mediated Reversible Self-Assembly of Ferritin Nanocages through Two Different Switches for Encapsulation of Cargo Molecules.
Acs Nano, 2020
7CQO
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BU of 7cqo by Molmil
Lysozyme grown in LCP soaked with selenourea for 6 min
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION, ...
著者Luo, Z.P, Li, D.F.
登録日2020-08-11
公開日2021-08-11
最終更新日2022-08-31
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Selenourea for experimental phasing of membrane protein crystals grown in lipid cubic phase
Crystals, 12, 2022
7CQM
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BU of 7cqm by Molmil
PlsY grown in LCP soaked with selenourea for 22 min
分子名称: (2R)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, Glycerol-3-phosphate acyltransferase, SULFATE ION, ...
著者Luo, Z.P, Li, D.F.
登録日2020-08-11
公開日2021-08-11
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Selenourea for experimental phasing of membrane protein crystals grown in lipid cubic phase
Crystals, 12, 2022
4KN8
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BU of 4kn8 by Molmil
Crystal structure of Bs-TpNPPase
分子名称: Thermostable NPPase
著者Guo, Z, Wang, F, Huang, J, Gong, W, Ji, C.
登録日2013-05-09
公開日2014-04-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.502 Å)
主引用文献Crystal Structure of Thermostable p-nitrophenylphosphatase from Bacillus Stearothermophilus (Bs-TpNPPase)
PROTEIN PEPT.LETT., 21, 2014
6LAT
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BU of 6lat by Molmil
The cryo-EM structure of HEV VLP
分子名称: Protein ORF2
著者Zheng, Q, He, M, Li, S.
登録日2019-11-13
公開日2019-12-04
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Viral neutralization by antibody-imposed physical disruption.
Proc.Natl.Acad.Sci.USA, 2019
6KPP
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BU of 6kpp by Molmil
BNC105 in complex with tubulin
分子名称: (6-methoxy-2-methyl-7-oxidanyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Wang, T, Wu, C, Pu, D.
登録日2019-08-15
公開日2020-08-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.74524117 Å)
主引用文献Unraveling the molecular mechanism of BNC105, a phase II clinical trial vascular disrupting agent, provides insights into drug design.
Biochem.Biophys.Res.Commun., 2020

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