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4FYO
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BU of 4fyo by Molmil
Crystal structure of spleen tyrosine kinase complexed with N-{(S)-1-[7-(3,4-Dimethoxy-phenylamino)-thiazolo[5,4-d]pyrimidin-5-yl]-pyrrolidin-3-yl}-terephthalamic acid
分子名称: 4-{[(3S)-1-{7-[(3,4-dimethoxyphenyl)amino][1,3]thiazolo[5,4-d]pyrimidin-5-yl}pyrrolidin-3-yl]carbamoyl}benzoic acid, Tyrosine-protein kinase SYK
著者Kuglstatter, A, Slade, M.
登録日2012-07-05
公開日2013-01-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Rational design of highly selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 55, 2012
4FZ6
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BU of 4fz6 by Molmil
Crystal structure of spleen tyrosine kinase complexed with [6-((S)-2-Methyl-pyrrolidin-1-yl)-pyridin-2-yl]-(6-phenyl-imidazo[1,2-b]pyridazin-8-yl)-amine
分子名称: N-{6-[(2S)-2-methylpyrrolidin-1-yl]pyridin-2-yl}-6-phenylimidazo[1,2-b]pyridazin-8-amine, Tyrosine-protein kinase SYK
著者Kuglstatter, A, Slade, M.
登録日2012-07-06
公開日2013-01-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Rational design of highly selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 55, 2012
7DZ9
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BU of 7dz9 by Molmil
MbnABC complex
分子名称: FE (III) ION, MbnA, MbnB, ...
著者Chao, D, Dan, Z, Yijun, G, Wei, C.
登録日2021-01-25
公開日2022-03-16
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure and catalytic mechanism of the MbnBC holoenzyme required for methanobactin biosynthesis.
Cell Res., 32, 2022
6LYG
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BU of 6lyg by Molmil
Cryo-EM structure of the calcium homeostasis modulator 1 channel
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Calcium homeostasis modulator 1
著者Ren, Y, Yang, X, Shen, Y.
登録日2020-02-14
公開日2020-10-07
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM structure of the calcium homeostasis modulator 1 channel.
Sci Adv, 6, 2020
6MG1
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BU of 6mg1 by Molmil
C-terminal bZIP domain of human C/EBPbeta with 16bp Methylated Oligonucleotide Containing Consensus Recognition Sequence-C2 Crystal Form
分子名称: 1,2-ETHANEDIOL, 16-bp methylated oligonucleotide, CCAAT/enhancer-binding protein beta, ...
著者Horton, J.R, Cheng, X, Yang, J.
登録日2018-09-12
公開日2018-12-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis for effects of CpA modifications on C/EBP beta binding of DNA.
Nucleic Acids Res., 47, 2019
6MBK
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BU of 6mbk by Molmil
SETD3, a Histidine Methyltransferase, in Complex with an Actin Peptide and SAH, First P212121 Crystal Form
分子名称: 1,2-ETHANEDIOL, Actin peptide, GLYCEROL, ...
著者Horton, J.R, Dai, S, Cheng, X.
登録日2018-08-30
公開日2018-12-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献SETD3 is an actin histidine methyltransferase that prevents primary dystocia.
Nature, 565, 2019
7KIA
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BU of 7kia by Molmil
Crystal structure of FGFR2 kinase domain gatekeeper mutant V564F in complex with covalent compound 19
分子名称: 1-[4-(4-{4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1H-pyrazol-5-yl)amino]pyrimidin-2-yl}phenyl)piperidin-1-yl]prop-2-en-1-one, CITRATE ANION, Fibroblast growth factor receptor 2, ...
著者Ke, J, Wibowo, A.S, Carter, J.J, Larsen, N.A.
登録日2020-10-23
公開日2021-02-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Discovery of Aminopyrazole Derivatives as Potent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR2 and 3.
Acs Med.Chem.Lett., 12, 2021
7KIE
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BU of 7kie by Molmil
Crystal structure of FGFR2 kinase domain gatekeeper mutant V564F in complex with covalent compound 3
分子名称: CITRATE ANION, Fibroblast growth factor receptor 2, GLYCEROL, ...
著者Ke, J, Wibowo, A.S, Carter, J.J, Larsen, N.A.
登録日2020-10-23
公開日2021-02-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Discovery of Aminopyrazole Derivatives as Potent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR2 and 3.
Acs Med.Chem.Lett., 12, 2021
7XPZ
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BU of 7xpz by Molmil
Structure of Apo-hSLC19A1
分子名称: Reduced folate transporter
著者Zhang, Q.X, Zhang, X.Y, Zhu, Y.L, Sun, P.P, Gao, A, Zhang, L.G, Gao, P.
登録日2022-05-06
公開日2022-10-05
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Recognition of cyclic dinucleotides and folates by human SLC19A1.
Nature, 612, 2022
7XQ0
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BU of 7xq0 by Molmil
Structure of hSLC19A1+3'3'-CDA
分子名称: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, Reduced folate transporter
著者Zhang, Q.X, Zhang, X.Y, Zhu, Y.L, Sun, P.P, Gao, A, Zhang, L.G, Gao, P.
登録日2022-05-06
公開日2022-10-05
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Recognition of cyclic dinucleotides and folates by human SLC19A1.
Nature, 612, 2022
7XQ2
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Structure of hSLC19A1+2'3'-cGAMP
分子名称: Reduced folate transporter, cGAMP
著者Zhang, Q.X, Zhang, X.Y, Zhu, Y.L, Sun, P.P, Gao, A, Zhang, L.G, Gao, P.
登録日2022-05-06
公開日2022-10-05
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Recognition of cyclic dinucleotides and folates by human SLC19A1.
Nature, 612, 2022
7XQ1
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BU of 7xq1 by Molmil
Structure of hSLC19A1+2'3'-CDAS
分子名称: (1~{R},3~{S},6~{R},8~{R},9~{R},10~{S},12~{S},15~{R},17~{R},18~{R})-8,17-bis(6-aminopurin-9-yl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecane-9,18-diol, Reduced folate transporter
著者Zhang, Q.X, Zhang, X.Y, Zhu, Y.L, Sun, P.P, Gao, A, Zhang, L.G, Gao, P.
登録日2022-05-06
公開日2022-10-05
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Recognition of cyclic dinucleotides and folates by human SLC19A1.
Nature, 612, 2022
6MBL
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BU of 6mbl by Molmil
SETD3, a Histidine Methyltransferase, in Complex with an Actin Peptide and SAH, Second P212121 Crystal Form
分子名称: 1,2-ETHANEDIOL, Actin Peptide, Histone-lysine N-methyltransferase setd3, ...
著者Horton, J.R, Dai, S, Cheng, X.
登録日2018-08-30
公開日2018-12-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.197 Å)
主引用文献SETD3 is an actin histidine methyltransferase that prevents primary dystocia.
Nature, 565, 2019
6MG3
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BU of 6mg3 by Molmil
V285A Mutant of the C-terminal bZIP domain of human C/EBPbeta with 16bp Methylated Oligonucleotide Containing Consensus Recognition Sequence
分子名称: 1,2-ETHANEDIOL, 16-bp methylated oligonucleotide, CCAAT/enhancer-binding protein beta
著者Horton, J.R, Cheng, X, Yang, J.
登録日2018-09-12
公開日2018-12-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural basis for effects of CpA modifications on C/EBP beta binding of DNA.
Nucleic Acids Res., 47, 2019
6MG2
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BU of 6mg2 by Molmil
C-terminal bZIP domain of human C/EBPbeta with 16bp Methylated Oligonucleotide Containing Consensus Recognition Sequence-C2221 Crystal Form
分子名称: 1,2-ETHANEDIOL, 16-bp methylated oligonucleotide, CCAAT/enhancer-binding protein beta
著者Horton, J.R, Cheng, X, Yang, J.
登録日2018-09-12
公開日2018-12-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.928 Å)
主引用文献Structural basis for effects of CpA modifications on C/EBP beta binding of DNA.
Nucleic Acids Res., 47, 2019
3RZN
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BU of 3rzn by Molmil
Crystal Structure of Human Glycolipid Transfer Protein complexed with 3-O-sulfo-galactosylceramide containing nervonoyl acyl chain (24:1)
分子名称: (15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDE, Glycolipid transfer protein
著者Samygina, V, Cabo-Bilbao, A, Popov, A.N, Ochoa-Lizarralde, B, Patel, D.J, Brown, R.E, Malinina, L.
登録日2011-05-12
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Enhanced selectivity for sulfatide by engineered human glycolipid transfer protein.
Structure, 19, 2011
8HEF
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BU of 8hef by Molmil
The Crystal structure of deuterated S-217622 (Ensitrelvir) bound to the main protease (3CLpro/Mpro) of SARS-CoV-2
分子名称: 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, GLYCEROL
著者Yan, M, Zhang, H.
登録日2022-11-08
公開日2023-04-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Synthesis of deuterated S-217622 (Ensitrelvir) with antiviral activity against coronaviruses including SARS-CoV-2.
Antiviral Res., 213, 2023
6ML6
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BU of 6ml6 by Molmil
ZBTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 4 with a CpA 5mC Modification)
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*AP*CP*GP*(5CM)P*AP*GP*GP*TP*CP*CP*TP*GP*GP*AP*CP*GP*AP*AP*TP*T)-3'), DNA (5'-D(*TP*AP*AP*TP*TP*CP*GP*TP*CP*CP*AP*GP*GP*AP*CP*CP*TP*GP*CP*G)-3'), ...
著者Horton, J.R, Cheng, X, Ren, R.
登録日2018-09-26
公開日2019-07-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Structural basis of specific DNA binding by the transcription factor ZBTB24.
Nucleic Acids Res., 47, 2019
7XQZ
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BU of 7xqz by Molmil
Drimenyl diphosphate synthase D303A from Streptomyces showdoensis in complex with 2-fluorofarnesyl diphosphate (2F-FPP) and Mg2+
分子名称: (2Z,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, MAGNESIUM ION, SQHop_cyclase_C domain-containing protein
著者Pan, X.M, Du, W.Y, Yang, Q, Zhang, B, Dong, L.B.
登録日2022-05-09
公開日2023-03-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery, Structure, and Mechanism of a Class II Sesquiterpene Cyclase.
J.Am.Chem.Soc., 144, 2022
7XR7
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BU of 7xr7 by Molmil
Drimenyl diphosphate synthase D303E from Streptomyces showdoensis in complex with farnesyl diphosphate (FPP) and Mg2+
分子名称: FARNESYL DIPHOSPHATE, MAGNESIUM ION, SQHop_cyclase_C domain-containing protein
著者Pan, X.M, Du, W.Y, Yang, Q, Zhang, B, Dong, L.B.
登録日2022-05-09
公開日2023-03-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Discovery, Structure, and Mechanism of a Class II Sesquiterpene Cyclase.
J.Am.Chem.Soc., 144, 2022
7XRU
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BU of 7xru by Molmil
Drimenyl diphosphate synthase D303E from Streptomyces showdoensis in complex with 2-fluorofarnesyl diphosphate (2F-FPP) and Mg2+
分子名称: (2E,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, MAGNESIUM ION, SQHop_cyclase_C domain-containing protein
著者Pan, X.M, Du, W.Y, Yang, Q, Zhang, B, Dong, L.B.
登録日2022-05-11
公開日2023-03-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery, Structure, and Mechanism of a Class II Sesquiterpene Cyclase.
J.Am.Chem.Soc., 144, 2022
7XQ4
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Drimenyl diphosphate synthase from Streptomyces showdoensis (apo)
分子名称: SQHop_cyclase_C domain-containing protein
著者Pan, X.M, Du, W.Y, Yang, Q, Zhang, B, Dong, L.B.
登録日2022-05-06
公開日2023-03-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Discovery, Structure, and Mechanism of a Class II Sesquiterpene Cyclase.
J.Am.Chem.Soc., 144, 2022
7XRA
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BU of 7xra by Molmil
Drimenyl diphosphate synthase D303A from Streptomyces showdoensis in complex with farnesyl diphosphate (FPP) and Mg2+
分子名称: FARNESYL DIPHOSPHATE, MAGNESIUM ION, SQHop_cyclase_C domain-containing protein
著者Pan, X.M, Du, W.Y, Yang, Q, Zhang, B, Dong, L.B.
登録日2022-05-09
公開日2023-03-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery, Structure, and Mechanism of a Class II Sesquiterpene Cyclase.
J.Am.Chem.Soc., 144, 2022
6ML4
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BTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 3)
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*AP*CP*GP*CP*AP*GP*GP*TP*CP*CP*TP*GP*GP*AP*CP*GP*AP*AP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*TP*TP*CP*GP*TP*CP*CP*AP*GP*GP*AP*CP*CP*TP*GP*CP*G)-3'), ...
著者Horton, J.R, Cheng, X, Ren, R.
登録日2018-09-26
公開日2019-07-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.482 Å)
主引用文献Structural basis of specific DNA binding by the transcription factor ZBTB24.
Nucleic Acids Res., 47, 2019
7Y9G
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BU of 7y9g by Molmil
Crystal structure of diterpene synthase VenA from Streptomyces venezuelae ATCC 15439 in complex with pyrophosphate
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ...
著者Zhang, L.L, Xie, Z.Z, Huang, J.-W, Hu, Y.C, Liu, W.D, Yang, Y, Chen, C.-C, Guo, R.-T.
登録日2022-06-24
公開日2023-06-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Molecular insights into the catalytic promiscuity of a bacterial diterpene synthase.
Nat Commun, 14, 2023

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