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7U1Z
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BU of 7u1z by Molmil
Crystal structure of the DRBD and CROPs of TcdA
分子名称: SULFATE ION, Toxin A
著者Baohua, C, Peng, C, Kay, P, Rongsheng, J.
登録日2022-02-22
公開日2022-03-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Structure and conformational dynamics of Clostridioides difficile toxin A.
Life Sci Alliance, 5, 2022
8JGF
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BU of 8jgf by Molmil
CryoEM structure of Gq-coupled MRGPRX1 with peptide agonist BAM8-22
分子名称: BAM8-22, 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Sun, J.P, Xu, H.E, Yang, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y.
登録日2023-05-20
公開日2024-01-10
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Ligand recognition and G protein coupling of the human itch receptor MRGPRX1.
Nat Commun, 14, 2023
8JGG
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BU of 8jgg by Molmil
CryoEM structure of Gi-coupled MRGPRX1 with peptide agonist BAM8-22
分子名称: BAM8-22, 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Sun, J.P, Xu, H.E, Ynag, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y.
登録日2023-05-20
公開日2024-01-10
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Ligand recognition and G protein coupling of the human itch receptor MRGPRX1.
Nat Commun, 14, 2023
8JGB
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BU of 8jgb by Molmil
CryoEM structure of Gi-coupled MRGPRX1 with peptide agonist CNF-Tx2
分子名称: Conorfamide-Tx2, 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Sun, J.P, Xu, H.E, Yang, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y.
登録日2023-05-20
公開日2024-01-10
実験手法ELECTRON MICROSCOPY (2.84 Å)
主引用文献Ligand recognition and G protein coupling of the human itch receptor MRGPRX1.
Nat Commun, 14, 2023
6ZY3
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BU of 6zy3 by Molmil
Cryo-EM structure of MlaFEDB in complex with phospholipid
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, ...
著者Dong, C.J, Dong, H.H.
登録日2020-07-30
公開日2020-11-25
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural insights into outer membrane asymmetry maintenance in Gram-negative bacteria by MlaFEDB.
Nat.Struct.Mol.Biol., 28, 2021
6ZY2
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BU of 6zy2 by Molmil
Cryo-EM structure of apo MlaFEDB
分子名称: ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, Toluene tolerance protein Ttg2A, ...
著者Dong, C.J, Dong, H.H.
登録日2020-07-30
公開日2020-11-25
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural insights into outer membrane asymmetry maintenance in Gram-negative bacteria by MlaFEDB.
Nat.Struct.Mol.Biol., 28, 2021
6ZY4
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BU of 6zy4 by Molmil
Cryo-EM structure of MlaFEDB in complex with ADP
分子名称: ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, ADENOSINE-5'-DIPHOSPHATE, ...
著者Dong, C.J, Dong, H.H.
登録日2020-07-30
公開日2020-11-25
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structural insights into outer membrane asymmetry maintenance in Gram-negative bacteria by MlaFEDB.
Nat.Struct.Mol.Biol., 28, 2021
6ZY9
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BU of 6zy9 by Molmil
Cryo-EM structure of MlaFEDB in complex with AMP-PNP
分子名称: ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, MAGNESIUM ION, ...
著者Dong, C.J, Dong, H.H.
登録日2020-07-30
公開日2020-11-25
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural insights into outer membrane asymmetry maintenance in Gram-negative bacteria by MlaFEDB.
Nat.Struct.Mol.Biol., 28, 2021
5H25
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BU of 5h25 by Molmil
EED in complex with PRC2 allosteric inhibitor compound 11
分子名称: 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-10-14
公開日2017-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy
J. Med. Chem., 60, 2017
5H19
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BU of 5h19 by Molmil
EED in complex with PRC2 allosteric inhibitor EED162
分子名称: 5-(furan-2-ylmethylamino)-9-(phenylmethyl)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-10-08
公開日2017-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED
PLoS ONE, 12, 2017
5H24
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BU of 5h24 by Molmil
EED in complex with PRC2 allosteric inhibitor compound 8
分子名称: 5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-10-14
公開日2017-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy
J. Med. Chem., 60, 2017
4R8Q
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BU of 4r8q by Molmil
Structure and substrate recruitment of the human spindle checkpoint kinase bub1
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Mitotic checkpoint serine/threonine-protein kinase BUB1
著者Tomchick, D.R, Yu, H.
登録日2014-09-02
公開日2014-11-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Structure and substrate recruitment of the human spindle checkpoint kinase Bub1.
Mol.Cell, 32, 2008
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
2EXX
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BU of 2exx by Molmil
Crystal structure of HSCARG from Homo sapiens in complex with NADP
分子名称: GLYCEROL, HSCARG protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Dai, X, Chen, Q, Yao, D, Liang, Y, Dong, Y, Gu, X, Zheng, X, Luo, M.
登録日2005-11-09
公開日2006-11-21
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Restructuring of the dinucleotide-binding fold in an NADP(H) sensor protein.
Proc.Natl.Acad.Sci.USA, 104, 2007
6S8N
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BU of 6s8n by Molmil
Cryo-EM structure of LptB2FGC in complex with lipopolysaccharide
分子名称: 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione, DODECYL-BETA-D-MALTOSIDE, Inner membrane protein yjgQ, ...
著者Tang, X.D, Chang, S.H, Luo, Q.H, Zhang, Z.Y, Qiao, W, Xu, C.H, Zhang, C.B, Niu, Y, Yang, W.X, Wang, T, Zhang, Z.B, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H.
登録日2019-07-10
公開日2019-09-25
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM structures of lipopolysaccharide transporter LptB2FGC in lipopolysaccharide or AMP-PNP-bound states reveal its transport mechanism.
Nat Commun, 10, 2019
6S8H
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BU of 6s8h by Molmil
Cryo-EM structure of LptB2FG in complex with LPS
分子名称: (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-5-[(2~{S},3~{S},4~{R},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{R},5~{S},6~{R})-6-[(1~{S})-2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione, DODECYL-BETA-D-MALTOSIDE, ...
著者Tang, X.D, Chang, S.H, Luo, Q.H, Zhang, Z.Y, Qiao, W, Xu, C.H, Zhang, C.B, Niu, Y, Yang, W.X, Wang, T, Zhang, Z.B, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H.
登録日2019-07-10
公開日2019-09-25
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Cryo-EM structures of lipopolysaccharide transporter LptB2FGC in lipopolysaccharide or AMP-PNP-bound states reveal its transport mechanism.
Nat Commun, 10, 2019
6S8G
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BU of 6s8g by Molmil
Cryo-EM structure of LptB2FGC in complex with AMP-PNP
分子名称: Inner membrane protein yjgQ, LPS export ABC transporter permease LptF, Lipopolysaccharide ABC transporter, ...
著者Tang, X.D, Chang, S.H, Luo, Q.H, Zhang, Z.Y, Qiao, W, Xu, C.H, Zhang, C.B, Niu, Y, Yang, W.X, Wang, T, Zhang, Z.B, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H.
登録日2019-07-10
公開日2019-09-25
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM structures of lipopolysaccharide transporter LptB2FGC in lipopolysaccharide or AMP-PNP-bound states reveal its transport mechanism.
Nat Commun, 10, 2019
5GUT
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BU of 5gut by Molmil
The crystal structure of mouse DNMT1 (731-1602) mutant - N1248A
分子名称: DNA (cytosine-5)-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ...
著者Chen, S.J, Ye, F.
登録日2016-08-31
公開日2017-09-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Biochemical Studies and Molecular Dynamic Simulations Reveal the Molecular Basis of Conformational Changes in DNA Methyltransferase-1.
ACS Chem. Biol., 13, 2018
8JNK
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BU of 8jnk by Molmil
Crystal structure of human ALKBH3 bound to ssDNA through active site crosslink
分子名称: Alpha-ketoglutarate-dependent dioxygenase alkB homolog 3, DNA, MANGANESE (II) ION, ...
著者Zhang, L.
登録日2023-06-06
公開日2024-01-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献The Molecular Basis of Human ALKBH3 Mediated RNA N 1 -methyladenosine (m 1 A) Demethylation.
Angew.Chem.Int.Ed.Engl., 63, 2024
8JNR
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BU of 8jnr by Molmil
Crystal structure of human ALKBH3 bound to 3mC containing ssDNA through distal crosslink
分子名称: Alpha-ketoglutarate-dependent dioxygenase alkB homolog 3, DNA, MANGANESE (II) ION, ...
著者Zhang, L.
登録日2023-06-06
公開日2024-01-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.66 Å)
主引用文献The Molecular Basis of Human ALKBH3 Mediated RNA N 1 -methyladenosine (m 1 A) Demethylation.
Angew.Chem.Int.Ed.Engl., 63, 2024
5GUV
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BU of 5guv by Molmil
The crystal structure of mouse DNMT1 (731-1602) mutant - R1279D
分子名称: DNA (cytosine-5)-methyltransferase 1, ZINC ION
著者Ye, F, Chen, S.J.
登録日2016-08-31
公開日2017-08-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.078 Å)
主引用文献Biochemical Studies and Molecular Dynamic Simulations Reveal the Molecular Basis of Conformational Changes in DNA Methyltransferase-1.
ACS Chem. Biol., 13, 2018
4FZO
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BU of 4fzo by Molmil
Crystal Structure of the apo-form uranyl binding protein
分子名称: uranyl binding protein
著者He, C, Zhou, L, Zhang, L.
登録日2012-07-06
公開日2013-12-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献A protein engineered to bind uranyl selectively and with femtomolar affinity.
Nat Chem, 6, 2014
4FZP
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BU of 4fzp by Molmil
Crystal Structure of the uranyl binding protein complexed with uranyl
分子名称: URANYL (VI) ION, uranyl binding protein
著者Zhou, L, Zhang, L, He, C.
登録日2012-07-06
公開日2013-12-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献A protein engineered to bind uranyl selectively and with femtomolar affinity.
Nat Chem, 6, 2014
5Y8Y
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BU of 5y8y by Molmil
Crystal Structure Analysis of the BRD4
分子名称: 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ...
著者Xu, Y, Zhang, Y, Song, M, Wang, C.
登録日2017-08-21
公開日2018-06-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
8W8Q
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BU of 8w8q by Molmil
Cryo-EM structure of the GPR101-Gs complex
分子名称: 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, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Sun, J.P, Gao, N, Yu, X, Wang, G.P, Yang, F, Wang, J.Y, Yang, Z, Guan, Y.
登録日2023-09-04
公開日2024-01-03
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Structure of GPR101-Gs enables identification of ligands with rejuvenating potential.
Nat.Chem.Biol., 20, 2024

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