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1JOM
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BU of 1jom by Molmil
THE CRYSTAL STRUCTURE OF THE BINARY COMPLEX BETWEEN FOLINIC ACID (LEUCOVORIN) AND E. COLI DIHYDROFOLATE REDUCTASE
分子名称: CALCIUM ION, CHLORIDE ION, DIHYDROFOLATE REDUCTASE, ...
著者Reyes, V.M, Lee, H, Kraut, J.
登録日1996-02-25
公開日1996-11-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of Escherichia coli dihydrofolate reductase complexed with 5-formyltetrahydrofolate (folinic acid) in two space groups: evidence for enolization of pteridine O4.
Biochemistry, 35, 1996
4LWE
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BU of 4lwe by Molmil
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ2
分子名称: Heat shock protein HSP 90-alpha, N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
著者Li, J, Shi, F, Xiong, B, He, J.
登録日2013-07-27
公開日2014-07-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
4LWI
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BU of 4lwi by Molmil
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ6
分子名称: Heat shock protein HSP 90-alpha, N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl}cyclopropanecarboxamide
著者Li, J, Shi, F, Xiong, B, He, J.
登録日2013-07-27
公開日2014-07-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
4LWF
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BU of 4lwf by Molmil
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ3
分子名称: 4-(5-amino-1,2-oxazol-3-yl)-6-(propan-2-yl)benzene-1,3-diol, Heat shock protein HSP 90-alpha
著者Li, J, Shi, F, Xiong, B, He, J.
登録日2013-07-27
公開日2014-07-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
4LWG
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BU of 4lwg by Molmil
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ4
分子名称: 1-(5-chloro-2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone, Heat shock protein HSP 90-alpha
著者Li, J, Shi, F, Xiong, B, He, J.
登録日2013-07-27
公開日2014-07-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
4LWH
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BU of 4lwh by Molmil
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ5
分子名称: Heat shock protein HSP 90-alpha, N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazol-5-yl}cyclopropanecarboxamide
著者Li, J, Shi, F, Xiong, B, He, J.
登録日2013-07-27
公開日2014-07-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
3NUP
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BU of 3nup by Molmil
CDK6 (monomeric) in complex with inhibitor
分子名称: 4-[3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine, Cell division protein kinase 6
著者Chopra, R.
登録日2010-07-07
公開日2010-12-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献4-(Pyrazol-4-yl)-pyrimidines as selective inhibitors of cyclin-dependent kinase 4/6.
J.Med.Chem., 53, 2010
3NUX
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BU of 3nux by Molmil
CDK6 (monomeric) in complex with inhibitor
分子名称: 4-[5-chloro-3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-ylpyridin-2-yl)pyrimidin-2-amine, Cell division protein kinase 6
著者Chopra, R.
登録日2010-07-07
公開日2010-12-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献4-(Pyrazol-4-yl)-pyrimidines as selective inhibitors of cyclin-dependent kinase 4/6.
J.Med.Chem., 53, 2010
6CRU
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BU of 6cru by Molmil
CryoEM structure of human enterovirus D68 emptied particle (pH 7.2 and 4 degrees Celsius)
分子名称: viral protein 1, viral protein 2, viral protein 3
著者Liu, Y, Rossmann, M.G.
登録日2018-03-19
公開日2018-12-19
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.32 Å)
主引用文献Molecular basis for the acid-initiated uncoating of human enterovirus D68.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6CS4
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BU of 6cs4 by Molmil
CryoEM structure of human enterovirus D68 A-particle (pH 5.5 and 33 degrees Celsius)
分子名称: viral protein 1, viral protein 2, viral protein 3
著者Liu, Y, Rossmann, M.G.
登録日2018-03-19
公開日2018-12-19
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (2.73 Å)
主引用文献Molecular basis for the acid-initiated uncoating of human enterovirus D68.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6CS6
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BU of 6cs6 by Molmil
CryoEM structure of human enterovirus D68 A-particle (pH 5.5 and room temperature)
分子名称: viral protein 1, viral protein 2, viral protein 3
著者Liu, Y, Rossmann, M.G.
登録日2018-03-19
公開日2018-12-19
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Molecular basis for the acid-initiated uncoating of human enterovirus D68.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6CRP
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BU of 6crp by Molmil
CryoEM structure of human enterovirus D68 abortive product 1 (pH 7.2 and 4 degrees Celsius)
分子名称: viral protein 1, viral protein 2, viral protein 3, ...
著者Liu, Y, Rossmann, M.G.
登録日2018-03-19
公開日2018-12-19
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献Molecular basis for the acid-initiated uncoating of human enterovirus D68.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6CSH
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BU of 6csh by Molmil
CryoEM structure of human enterovirus D68 emptied particle (pH 5.5 and 33 degrees Celsius)
分子名称: viral protein 1, viral protein 2, viral protein 3
著者Liu, Y, Rossmann, M.G.
登録日2018-03-20
公開日2018-12-19
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Molecular basis for the acid-initiated uncoating of human enterovirus D68.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6CSA
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BU of 6csa by Molmil
CryoEM structure of human enterovirus D68 emptied particle (pH 5.5 and room temperature)
分子名称: viral protein 1, viral protein 2, viral protein 3
著者Liu, Y, Rossmann, M.G.
登録日2018-03-20
公開日2018-12-19
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.75 Å)
主引用文献Molecular basis for the acid-initiated uncoating of human enterovirus D68.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6CSG
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BU of 6csg by Molmil
CryoEM structure of human enterovirus D68 full native virion
分子名称: viral protein 1, viral protein 2, viral protein 3, ...
著者Liu, Y, Rossmann, M.G.
登録日2018-03-20
公開日2018-12-19
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (2.17 Å)
主引用文献Molecular basis for the acid-initiated uncoating of human enterovirus D68.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6CS3
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BU of 6cs3 by Molmil
CryoEM structure of human enterovirus D68 expanded 1 particle (pH 7.2 and 4 degrees Celsius)
分子名称: viral protein 1, viral protein 2, viral protein 3, ...
著者Liu, Y, Rossmann, M.G.
登録日2018-03-19
公開日2018-12-19
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.31 Å)
主引用文献Molecular basis for the acid-initiated uncoating of human enterovirus D68.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6CRR
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BU of 6crr by Molmil
CryoEM structure of human enterovirus D68 full native virion (pH 7.2 and 4 degrees Celsius)
分子名称: viral protein 1, viral protein 2, viral protein 3, ...
著者Liu, Y, Rossmann, M.G.
登録日2018-03-19
公開日2018-12-19
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献Molecular basis for the acid-initiated uncoating of human enterovirus D68.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6CS5
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BU of 6cs5 by Molmil
CryoEM structure of human enterovirus D68 abortive product 2 (pH 7.2 and 4 degrees Celsius)
分子名称: viral protein 1, viral protein 2, viral protein 3
著者Liu, Y, Rossmann, M.G.
登録日2018-03-19
公開日2018-12-19
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献Molecular basis for the acid-initiated uncoating of human enterovirus D68.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4MCD
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BU of 4mcd by Molmil
hinTrmD in complex with 5-PHENYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
分子名称: 5-phenylthieno[2,3-d]pyrimidin-4(3H)-one, tRNA (guanine-N(1)-)-methyltransferase
著者Lahiri, S.
登録日2013-08-21
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Selective Inhibitors of Bacterial t-RNA-(N(1)G37) Methyltransferase (TrmD) That Demonstrate Novel Ordering of the Lid Domain.
J.Med.Chem., 56, 2013
4MCC
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BU of 4mcc by Molmil
HinTrmD in complex with N-[4-(AMINOMETHYL)BENZYL]-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDINE-5-CARBOXAMIDE
分子名称: N-[4-(aminomethyl)benzyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide, tRNA (guanine-N(1)-)-methyltransferase
著者Olivier, N.B, Hill, P.
登録日2013-08-21
公開日2013-09-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Selective Inhibitors of Bacterial t-RNA-(N(1)G37) Methyltransferase (TrmD) That Demonstrate Novel Ordering of the Lid Domain.
J.Med.Chem., 56, 2013
8WDO
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BU of 8wdo by Molmil
Crystal structure of PDE4D complexed with DCN
分子名称: 1,2-ETHANEDIOL, 3-[(2~{S},3~{R})-2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol, MAGNESIUM ION, ...
著者Liu, J.Y, Li, M.J, Xu, Y.C.
登録日2023-09-15
公開日2024-08-28
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Identification of Dihydrobenzofuran Neolignans as Novel PDE4 Inhibitors and Evaluation of Antiatopic Dermatitis Efficacy in DNCB-Induced Mice Model.
J.Med.Chem., 67, 2024
8WDN
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BU of 8wdn by Molmil
Crystal structure of PDE4D complexed with 7b-1
分子名称: 1,2-ETHANEDIOL, 3-[(2~{S},3~{R})-7-ethoxy-2-(3-ethoxy-4-methoxy-phenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol, MAGNESIUM ION, ...
著者Liu, J.Y, Li, M.J, Xu, Y.C.
登録日2023-09-15
公開日2024-08-28
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Identification of Dihydrobenzofuran Neolignans as Novel PDE4 Inhibitors and Evaluation of Antiatopic Dermatitis Efficacy in DNCB-Induced Mice Model.
J.Med.Chem., 67, 2024
1YIN
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BU of 1yin by Molmil
Human estrogen receptor alpha ligand-binding domain in complex with compound 3F
分子名称: (2R,3R,4S)-5-FLUORO-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PIPERIDIN-1-YLETHOXY)PHENYL]CHROMAN-6-OL, Estrogen receptor
著者Fitzgerald, P.M, Sharma, N.
登録日2005-01-12
公開日2005-07-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Estrogen receptor ligands. Part 10: Chromanes: old scaffolds for new SERAMs.
Bioorg.Med.Chem.Lett., 15, 2005
1YIM
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BU of 1yim by Molmil
Human estrogen receptor alpha ligand-binding domain in complex with compound 4
分子名称: (2R,3R,4S)-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN-6-OL, Estrogen receptor
著者Fitzgerald, P.M, Sharma, N.
登録日2005-01-12
公開日2005-07-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Estrogen receptor ligands. Part 10: Chromanes: old scaffolds for new SERAMs.
Bioorg.Med.Chem.Lett., 15, 2005
8H08
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BU of 8h08 by Molmil
SARS-CoV-2 BA.1 variants S ectodomain trimer in complex with neutralizing antibody 10-5B and 6-2C
分子名称: 10-5B H chain, 10-5B L chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, X, Wang, Z.
登録日2022-09-28
公開日2023-05-31
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Inactivated vaccine-elicited potent antibodies can broadly neutralize SARS-CoV-2 circulating variants.
Nat Commun, 14, 2023

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