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8JGQ
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BU of 8jgq by Molmil
Crystal structure of Deinococcus radiodurans exopolyphosphatase complexed with P5
分子名称: Exopolyphosphatase, MAGNESIUM ION, SULFATE ION, ...
著者Zhao, Y, Dai, S.
登録日2023-05-21
公開日2024-05-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Evolution of Bacterial Polyphosphate Degradation Enzyme for Phosphorus Cycling.
Adv Sci, 2024
5VYY
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BU of 5vyy by Molmil
Structure of human Hsp90-alpha bound to resorcinylic inhibitor BnIm
分子名称: 1,2-ETHANEDIOL, FORMIC ACID, Heat shock protein HSP 90-alpha, ...
著者Que, N.S, Gewirth, D.T.
登録日2017-05-26
公開日2018-04-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.792 Å)
主引用文献Structure Based Design of a Grp94-Selective Inhibitor: Exploiting a Key Residue in Grp94 To Optimize Paralog-Selective Binding.
J. Med. Chem., 61, 2018
4MK7
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BU of 4mk7 by Molmil
Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with inhibitor 2 (3-(3-tert-butyl-4-methoxyphenyl)pyridin-2(1H)-one)
分子名称: 3-(3-tert-butyl-4-methoxyphenyl)pyridin-2(1H)-one, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
著者Harris, S.F, Wong, A.
登録日2013-09-04
公開日2013-10-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of a Novel Series of Potent Non-Nucleoside Inhibitors of Hepatitis C Virus NS5B.
J.Med.Chem., 56, 2013
5WMT
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BU of 5wmt by Molmil
Structure of GRP94 N-terminal Domain bound to resorcinylic inhibitor BnIm.
分子名称: 1,2-ETHANEDIOL, Endoplasmin, MAGNESIUM ION, ...
著者Que, N.S, Gewirth, D.T.
登録日2017-07-31
公開日2018-04-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.748 Å)
主引用文献Structure Based Design of a Grp94-Selective Inhibitor: Exploiting a Key Residue in Grp94 To Optimize Paralog-Selective Binding.
J. Med. Chem., 61, 2018
4MK8
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BU of 4mk8 by Molmil
Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with inhibitor 4 (N-(4-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]ethyl}phenyl)methanesulfonamide)
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, N-(4-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]ethyl}phenyl)methanesulfonamide, ...
著者Harris, S.F, Wong, A.
登録日2013-09-04
公開日2013-10-09
最終更新日2014-01-15
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Discovery of a Novel Series of Potent Non-Nucleoside Inhibitors of Hepatitis C Virus NS5B.
J.Med.Chem., 56, 2013
4MKB
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BU of 4mkb by Molmil
Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with inhibitor 14 (N-(4-{(E)-2-[3-tert-butyl-2-methoxy-5-(3-oxo-2,3-dihydropyridazin-4-yl)phenyl]ethenyl}phenyl)methanesulfonamide)
分子名称: N-(4-{(E)-2-[3-tert-butyl-2-methoxy-5-(3-oxo-2,3-dihydropyridazin-4-yl)phenyl]ethenyl}phenyl)methanesulfonamide, RNA-DIRECTED RNA POLYMERASE
著者Harris, S.F, Wong, A.
登録日2013-09-04
公開日2013-10-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of a Novel Series of Potent Non-Nucleoside Inhibitors of Hepatitis C Virus NS5B.
J.Med.Chem., 56, 2013
4MK9
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Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with inhibitor 12 (N-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1,3-benzoxazol-5-yl}methanesulfonamide)
分子名称: GLYCEROL, N-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1,3-benzoxazol-5-yl}methanesulfonamide, RNA-DIRECTED RNA POLYMERASE
著者Harris, S.F, Wong, A.
登録日2013-09-04
公開日2013-10-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of a Novel Series of Potent Non-Nucleoside Inhibitors of Hepatitis C Virus NS5B.
J.Med.Chem., 56, 2013
4MKA
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BU of 4mka by Molmil
Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with inhibitor 13 (N-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1,3-benzoxazol-5-yl}methanesulfonamide)
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, N-{3-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1-oxo-1H-isochromen-7-yl}methanesulfonamide, ...
著者Harris, S.F, Wong, A.
登録日2013-09-04
公開日2013-10-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of a Novel Series of Potent Non-Nucleoside Inhibitors of Hepatitis C Virus NS5B.
J.Med.Chem., 56, 2013
6KMH
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BU of 6kmh by Molmil
The crystal structure of CASK/Mint1 complex
分子名称: Amyloid-beta A4 precursor protein-binding family A member 1, CHLORIDE ION, IODIDE ION, ...
著者Li, W, Feng, W.
登録日2019-07-31
公開日2020-08-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献CASK modulates the assembly and function of the Mint1/Munc18-1 complex to regulate insulin secretion.
Cell Discov, 6, 2020
7X83
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BU of 7x83 by Molmil
Cryo-EM structure of the TMEM106B fibril from normal elder
分子名称: Transmembrane protein 106B
著者Xia, W.C, Zhao, Q.Y, Fan, Y, Sun, Y.P, Tao, Y.Q, Liu, C.
登録日2022-03-11
公開日2022-06-15
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Generic amyloid fibrillation of TMEM106B in patient with Parkinson's disease dementia and normal elders.
Cell Res., 32, 2022
7X84
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BU of 7x84 by Molmil
Cryo-EM structure of the TMEM106B fibril from Parkinson's disease dementia
分子名称: Transmembrane protein 106B
著者Zhao, Q.Y, Xia, W.C, Fan, Y, Sun, Y.P, Tao, Y.Q, Liu, C.
登録日2022-03-11
公開日2022-06-15
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Generic amyloid fibrillation of TMEM106B in patient with Parkinson's disease dementia and normal elders.
Cell Res., 32, 2022
5BKH
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BU of 5bkh by Molmil
The splicing activity and an alternative domain-swapped structure of the Pyrococcus horikoshii PolII mini-intein
分子名称: DNA polymerase II large subunit
著者Li, Z, Li, H.
登録日2021-03-19
公開日2021-08-11
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献An alternative domain-swapped structure of the Pyrococcus horikoshii PolII mini-intein.
Sci Rep, 11, 2021
5B25
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BU of 5b25 by Molmil
Crystal structure of human PDE1B with inhibitor 3
分子名称: (11R,15S)-4-{[4-(6-fluoropyridin-2-yl)phenyl]methyl}-8-methyl-5-(phenylamino)-1,3,4,8,10-pentaazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, GLYCEROL, ...
著者Ida, K, Lane, W, Snell, G, Sogabe, S.
登録日2016-01-07
公開日2016-02-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of Potent and Selective Inhibitors of Phosphodiesterase 1 for the Treatment of Cognitive Impairment Associated with Neurodegenerative and Neuropsychiatric Diseases
J.Med.Chem., 59, 2016
1BKO
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BU of 1bko by Molmil
THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS
分子名称: THYMIDYLATE SYNTHASE A
著者Stout, T.J, Schellenberger, U, Santi, D.V, Stroud, R.M.
登録日1998-07-09
公開日1999-02-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal structures of a unique thermal-stable thymidylate synthase from Bacillus subtilis.
Biochemistry, 37, 1998
1BSF
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BU of 1bsf by Molmil
THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS
分子名称: THYMIDYLATE SYNTHASE A
著者Stout, T.J, Schellenberger, U, Santi, D.V, Stroud, R.M.
登録日1998-07-10
公開日1999-01-13
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of a unique thermal-stable thymidylate synthase from Bacillus subtilis.
Biochemistry, 37, 1998
1BSP
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BU of 1bsp by Molmil
THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS
分子名称: PHOSPHATE ION, THYMIDYLATE SYNTHASE A
著者Stout, T.J, Schellenberger, U, Santi, D.V, Stroud, R.M.
登録日1998-07-09
公開日1999-02-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of a unique thermal-stable thymidylate synthase from Bacillus subtilis.
Biochemistry, 37, 1998
4J72
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BU of 4j72 by Molmil
Crystal Structure of polyprenyl-phosphate N-acetyl hexosamine 1-phosphate transferase
分子名称: MAGNESIUM ION, NICKEL (II) ION, Phospho-N-acetylmuramoyl-pentapeptide-transferase
著者Lee, S.Y, Chung, B.C, Gillespie, R.A, Kwon, D.Y, Guan, Z, Zhou, P, Hong, J.
登録日2013-02-12
公開日2013-09-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Crystal structure of MraY, an essential membrane enzyme for bacterial cell wall synthesis.
Science, 341, 2013
6J2W
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BU of 6j2w by Molmil
The structure of OBA3-OTA complex
分子名称: DNA (5'-D(*CP*GP*GP*GP*GP*CP*GP*AP*AP*GP*CP*GP*GP*GP*TP*CP*CP*CP*G)-3'), N-[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]-D-phenylalanine
著者Xu, G.H, Li, C.G.
登録日2019-01-03
公開日2019-02-27
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure-guided post-SELEX optimization of an ochratoxin A aptamer.
Nucleic Acids Res., 47, 2019
1BKP
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BU of 1bkp by Molmil
THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS
分子名称: THYMIDYLATE SYNTHASE A
著者Stout, T.J, Schellenberger, U, Santi, D.V, Stroud, R.M.
登録日1998-07-09
公開日1999-02-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of a unique thermal-stable thymidylate synthase from Bacillus subtilis.
Biochemistry, 37, 1998
8JJ9
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BU of 8jj9 by Molmil
Human FAM91A1 N terminal domain in complex with TBC1D23
分子名称: Protein FAM91A1, TBC1 domain family member 23
著者Deng, H.Q, Zhang, S.T, Jia, D.
登録日2023-05-29
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献FAM91A1-TBC1D23 complex structure reveals human genetic variations susceptible for PCH.
Proc.Natl.Acad.Sci.USA, 120, 2023
6JSJ
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BU of 6jsj by Molmil
Structural analysis of a trimeric assembly of the mitochondrial dynamin-like GTPase Mgm1
分子名称: Dynamin-like GTPase MGM1, mitochondrial, GUANOSINE-5'-DIPHOSPHATE, ...
著者Yan, L, Li, L.
登録日2019-04-08
公開日2020-02-19
最終更新日2020-03-11
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural analysis of a trimeric assembly of the mitochondrial dynamin-like GTPase Mgm1.
Proc.Natl.Acad.Sci.USA, 117, 2020
6K41
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BU of 6k41 by Molmil
cryo-EM structure of alpha2BAR-GoA complex
分子名称: 4-[(1~{S})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole, Alpha-2A adrenergic receptor,Endolysin,Alpha-2B adrenergic receptor,Alpha-2B adrenergic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Yuan, D, Liu, Z, Wang, H.W, Kobilka, B.K.
登録日2019-05-23
公開日2020-04-15
最終更新日2020-05-13
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Activation of the alpha2Badrenoceptor by the sedative sympatholytic dexmedetomidine.
Nat.Chem.Biol., 16, 2020
6K42
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cryo-EM structure of alpha2BAR-Gi1 complex
分子名称: 4-[(1~{S})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole, Alpha-2A adrenergic receptor,Endolysin,Alpha-2B adrenergic receptor,Alpha-2B adrenergic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Yuan, D, Liu, Z, Wang, H.W, Kobilka, B.K.
登録日2019-05-23
公開日2020-04-15
最終更新日2020-05-13
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Activation of the alpha2Badrenoceptor by the sedative sympatholytic dexmedetomidine.
Nat.Chem.Biol., 16, 2020
6KMO
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Crystal structure of a novel esterase CinB from Enterobacter asburiae
分子名称: Alpha/beta hydrolase
著者Shang, F, Xu, Y.
登録日2019-07-31
公開日2019-09-04
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural and functional analyses of the lipase CinB from Enterobacter asburiae.
Biochem.Biophys.Res.Commun., 519, 2019
7CDI
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BU of 7cdi by Molmil
Crystal structure of SARS-CoV-2 antibody P2C-1F11 with RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1F11 heavy chain, ...
著者Wang, X, Zhang, L, Ge, J, Wang, R.
登録日2020-06-19
公開日2020-11-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Antibody neutralization of SARS-CoV-2 through ACE2 receptor mimicry.
Nat Commun, 12, 2021

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