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5DP9
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BU of 5dp9 by Molmil
Crystal Structure of EV71 3C Proteinase in complex with compound 9
分子名称: 3C proteinase, ethyl (2Z,4S)-4-[(N-{[(cyclobutylmethyl)amino](oxo)acetyl}-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
著者Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
登録日2015-09-12
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5DP6
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Crystal Structure of EV71 3C Proteinase in complex with compound 7
分子名称: 3C proteinase, ethyl (2Z,4S)-4-{[N-(3-cyclopropylpropanoyl)-L-phenylalanyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
著者Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
登録日2015-09-12
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5DP5
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Crystal Structure of EV71 3C Proteinase in complex with compound 4
分子名称: 3C proteinase, ethyl (2Z,4S)-4-{[(2R,5S)-5-amino-2-(4-fluorobenzyl)-6-methyl-4-oxoheptanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
著者Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
登録日2015-09-12
公開日2016-03-30
最終更新日2016-04-06
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5DP7
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BU of 5dp7 by Molmil
Crystal Structure of EV71 3C Proteinase in complex with compound 5
分子名称: 3C proteinase, ethyl (2Z,4S)-4-{[N-(3-methylbutanoyl)-L-phenylalanyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
著者Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
登録日2015-09-12
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
6FIB
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BU of 6fib by Molmil
Structure of human 4-1BB ligand
分子名称: Tumor necrosis factor ligand superfamily member 9, Tumor necrosis factor ligand superfamily member 9,4-1BBL -CH/CL fusion, Tumor necrosis factor ligand superfamily member 9,Uncharacterized protein
著者Joseph, C, Claus, C, Ferrara, C, von Hirschheydt, T, Prince, C, Funk, D, Klein, C, Benz, J.
登録日2018-01-17
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Tumor-targeted 4-1BB agonists for combination with T cell bispecific antibodies as off-the-shelf therapy.
Sci Transl Med, 11, 2019
5DP8
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BU of 5dp8 by Molmil
Crystal Structure of EV71 3C Proteinase in complex with compound 8
分子名称: 3C proteinase, ethyl (2Z,4S)-4-[(N-{[(2-cyclopropylethyl)amino](oxo)acetyl}-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
著者Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
登録日2015-09-12
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5DPA
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BU of 5dpa by Molmil
Crystal Structure of EV71 3C Proteinase in complex with compound 6
分子名称: 3C proteinase, ethyl (2Z,4S)-4-[(N-acetyl-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
著者Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
登録日2015-09-12
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5DP3
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Crystal Structure of EV71 3C Proteinase in complex with compound 2
分子名称: 3C proteinase, ethyl (4S)-5-[(3S)-2-oxopyrrolidin-3-yl]-4-[(3-phenylpropanoyl)amino]pent-2-enoate
著者Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
登録日2015-09-12
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5MSL
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BU of 5msl by Molmil
Solution structure of the B. subtilis anti-sigma-F factor, FIN
分子名称: Anti-sigma-F factor Fin, ZINC ION
著者Martinez-Lumbreras, S, Alfano, C, Isaacson, R.L.
登録日2017-01-05
公開日2017-06-21
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献A novel RNA polymerase-binding protein that interacts with a sigma-factor docking site.
Mol. Microbiol., 105, 2017
1WOF
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BU of 1wof by Molmil
Crystal Structure Of SARS-CoV Mpro in Complex with an Inhibitor N1
分子名称: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
著者Yang, H, Bartlam, M, Xue, X, Yang, K, Liang, W, Rao, Z.
登録日2004-08-18
公開日2005-08-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
6U4Y
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BU of 6u4y by Molmil
Crystal Structure of an EZH2-EED Complex in an Oligomeric State
分子名称: Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
著者Jiao, L, Liu, X.
登録日2019-08-26
公開日2020-07-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献A partially disordered region connects gene repression and activation functions of EZH2.
Proc.Natl.Acad.Sci.USA, 117, 2020
5DW0
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BU of 5dw0 by Molmil
TrpB from Pyrococcus furiosus with L-serine bound as the external aldimine
分子名称: SODIUM ION, Tryptophan synthase beta chain 1, [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE
著者Buller, A.R, Arnold, F.H.
登録日2015-09-22
公開日2015-11-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Directed evolution of the tryptophan synthase beta-subunit for stand-alone function recapitulates allosteric activation.
Proc.Natl.Acad.Sci.USA, 112, 2015
5DW3
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BU of 5dw3 by Molmil
Tryptophan Synthase beta-subunit from Pyrococcus furiosus with product L-tryptophan non-covalently bound in the active site
分子名称: PHOSPHATE ION, SODIUM ION, TRYPTOPHAN, ...
著者Buller, A.R, Arnold, F.H.
登録日2015-09-22
公開日2015-11-11
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Directed evolution of the tryptophan synthase beta-subunit for stand-alone function recapitulates allosteric activation.
Proc.Natl.Acad.Sci.USA, 112, 2015
5DVZ
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BU of 5dvz by Molmil
Holo TrpB from Pyrococcus furiosus
分子名称: PHOSPHATE ION, SODIUM ION, Tryptophan synthase beta chain 1
著者Buller, A.R, Arnold, F.H.
登録日2015-09-21
公開日2016-02-03
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Directed evolution of the tryptophan synthase beta-subunit for stand-alone function recapitulates allosteric activation.
Proc.Natl.Acad.Sci.USA, 112, 2015
5E0K
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BU of 5e0k by Molmil
X-ray crystal structure of tryptophan synthase complex from Pyrococcus furiosus at 2.76 A
分子名称: PHOSPHATE ION, Tryptophan synthase alpha chain, Tryptophan synthase beta chain 1
著者Buller, A.R, Murciano-Calles, J, Arnold, F.H.
登録日2015-09-29
公開日2015-11-11
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Directed evolution of the tryptophan synthase beta-subunit for stand-alone function recapitulates allosteric activation.
Proc.Natl.Acad.Sci.USA, 112, 2015
4JAN
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BU of 4jan by Molmil
crystal structure of broadly neutralizing antibody CH103 in complex with HIV-1 gp120
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIGEN BINDING FRAGMENT OF HEAVY CHAIN of CH103, ANTIGEN BINDING FRAGMENT OF LIGHT CHAIN of CH103, ...
著者Zhou, T, Moquin, S, Zheng, A, Srivatsan, S, Kwong, P.D.
登録日2013-02-18
公開日2013-04-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Co-evolution of a broadly neutralizing HIV-1 antibody and founder virus.
Nature, 496, 2013
4JAM
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BU of 4jam by Molmil
Crystal structure of broadly neutralizing anti-hiv-1 antibody ch103
分子名称: 1,2-ETHANEDIOL, ANTIGEN BINDING FRAGMENT OF HEAVY CHAIN of CH103, ANTIGEN BINDING FRAGMENT OF LIGHT CHAIN of CH103, ...
著者Zhou, T, Moquin, S, Zheng, A, Srivatsan, S, Kwong, P.D.
登録日2013-02-18
公開日2013-04-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Co-evolution of a broadly neutralizing HIV-1 antibody and founder virus.
Nature, 496, 2013
2VJ1
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BU of 2vj1 by Molmil
A Structural View of the Inactivation of the SARS-Coronavirus Main Proteinase by Benzotriazole Esters
分子名称: 4-(DIMETHYLAMINO)BENZOIC ACID, BENZOIC ACID, DIMETHYL SULFOXIDE, ...
著者Verschueren, K.H.G, Pumpor, K, Anemueller, S, Mesters, J.R, Hilgenfeld, R.
登録日2007-12-06
公開日2008-07-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献A Structural View of the Inactivation of the Sars Coronavirus Main Proteinase by Benzotriazole Esters.
Chem.Biol., 15, 2008
2V6N
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BU of 2v6n by Molmil
Crystal structures of the SARS-coronavirus main proteinase inactivated by benzotriazole compounds
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(DIMETHYLAMINO)BENZOIC ACID, REPLICASE POLYPROTEIN 1AB, ...
著者Verschueren, K.H.G, Pumpor, K, Anemueller, S, Mesters, J.R, Hilgenfeld, R.
登録日2007-07-19
公開日2008-07-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献A Structural View of the Inactivation of the Sars Coronavirus Main Proteinase by Benzotriazole Esters.
Chem.Biol., 15, 2008
6HPV
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BU of 6hpv by Molmil
Crystal structure of mouse fetuin-B
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Fetuin-B
著者Fahrenkamp, D, Dietzel, E, de Sanctis, D, Jovine, L.
登録日2018-09-22
公開日2019-02-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of mammalian plasma fetuin-B and its mechanism of selective metallopeptidase inhibition.
Iucrj, 6, 2019
7BED
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BU of 7bed by Molmil
X-ray structure of WDR5 bound to the WDR5 win motif peptide
分子名称: SULFATE ION, WD repeat-containing protein 5
著者McVey, C.E, Kaye, K.M.
登録日2020-12-23
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献MLL1 is regulated by KSHV LANA and is important for virus latency.
Nucleic Acids Res., 49, 2021
7BCY
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BU of 7bcy by Molmil
X-ray structure of WDR5delta24 bound to the Kaposi's sarcoma herpesvirus LANA win motif peptide
分子名称: ORF 73, WD repeat-containing protein 5
著者McVey, C.E, Kaye, K.M.
登録日2020-12-21
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献MLL1 is regulated by KSHV LANA and is important for virus latency.
Nucleic Acids Res., 49, 2021
2AMP
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BU of 2amp by Molmil
Crystal Structure Of Porcine Transmissible Gastroenteritis Virus Mpro in Complex with an Inhibitor N1
分子名称: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
著者Yang, H, Xue, X, Yang, K, Zhao, Q, Bartlam, M, Rao, Z.
登録日2005-08-10
公開日2005-09-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
2AMD
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BU of 2amd by Molmil
Crystal Structure Of SARS_CoV Mpro in Complex with an Inhibitor N9
分子名称: 3C-like proteinase, N-(3-FUROYL)-D-VALYL-L-VALYL-N~1~-((1R,2Z)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-D-LEUCINAMIDE
著者Yang, H, Xue, X, Yang, K, Zhao, Q, Bartlam, M, Rao, Z.
登録日2005-08-09
公開日2005-09-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
2AMQ
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BU of 2amq by Molmil
Crystal Structure Of SARS_CoV Mpro in Complex with an Inhibitor N3
分子名称: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
著者Yang, H, Xue, X, Yang, K, Zhao, Q, Bartlam, M, Rao, Z.
登録日2005-08-10
公開日2005-09-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005

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