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7RW0
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BU of 7rw0 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI27
分子名称: 3C-like proteinase, N-{[(3-chlorophenyl)methoxy]carbonyl}-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
著者Yang, K, Liu, W.
登録日2021-08-19
公開日2022-07-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7RVQ
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BU of 7rvq by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI16
分子名称: 3C-like proteinase, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide
著者Yang, K, Liu, W.
登録日2021-08-19
公開日2022-07-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7RVW
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BU of 7rvw by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI23
分子名称: 3C-like proteinase, benzyl (1-{[(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamoyl}cyclopropyl)carbamate
著者Yang, K, Liu, W.
登録日2021-08-19
公開日2022-07-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7RVY
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BU of 7rvy by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI25
分子名称: 3C-like proteinase, O-tert-butyl-N-{[(3-chlorophenyl)methoxy]carbonyl}-L-threonyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
著者Yang, K, Liu, W.
登録日2021-08-19
公開日2022-07-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7RVU
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BU of 7rvu by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI21
分子名称: 3C-like proteinase, N-[(benzyloxy)carbonyl]-3-methyl-L-isovalyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide
著者Yang, K, Sankaran, B, Liu, W.
登録日2021-08-19
公開日2022-07-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7RVS
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BU of 7rvs by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI19
分子名称: 3C-like proteinase, N-[(benzyloxy)carbonyl]-3-methyl-L-valyl-3-cyclopropyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
著者Yang, K, Liu, W.
登録日2021-08-19
公開日2022-07-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7RVM
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BU of 7rvm by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI11
分子名称: 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide
著者Yang, K, Liu, W.
登録日2021-08-19
公開日2022-07-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7RW1
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BU of 7rw1 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI28
分子名称: 3C-like proteinase, N-(1H-indole-2-carbonyl)-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Yang, K, Sankaran, B, Liu, W.
登録日2021-08-19
公開日2022-07-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7RVT
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BU of 7rvt by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI20
分子名称: 3C-like proteinase, N~2~-[(2S)-2-{[(benzyloxy)carbonyl]amino}-2-cyclopropylacetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide
著者Yang, K, Sankaran, B, Liu, W.
登録日2021-08-19
公開日2022-07-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
5X57
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BU of 5x57 by Molmil
Structure of GAR domain of ACF7
分子名称: Microtubule-actin cross-linking factor 1, isoforms 1/2/3/5, NICKEL (II) ION
著者Yang, F, Wang, T, Zhang, Y, Wu, X.Y.
登録日2017-02-15
公開日2017-07-05
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献ACF7 regulates inflammatory colitis and intestinal wound response by orchestrating tight junction dynamics.
Nat Commun, 8, 2017
5Z9O
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BU of 5z9o by Molmil
The crystal structure of Cyclopropane-fatty-acyl-phospholipid synthase from Lactobacillus acidophilus
分子名称: CARBONATE ION, Cyclopropane-fatty-acyl-phospholipid synthase, L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE
著者Pan, C.L, Ma, Y.L, Wang, Q.H.
登録日2018-02-04
公開日2019-03-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of bacterial cyclopropane-fatty-acyl-phospholipid synthase with phospholipid.
J.Biochem., 166, 2019
8H2T
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BU of 8h2t by Molmil
Cryo-EM structure of IadD/E dioxygenase bound with IAA
分子名称: 1H-INDOL-3-YLACETIC ACID, Aromatic-ring-hydroxylating dioxygenase beta subunit, FE (III) ION, ...
著者Yu, G, Li, Z, Zhang, H.
登録日2022-10-07
公開日2023-06-14
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (2.59 Å)
主引用文献Structural and biochemical characterization of the key components of an auxin degradation operon from the rhizosphere bacterium Variovorax.
Plos Biol., 21, 2023
7X5C
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BU of 7x5c by Molmil
Solution structure of Tetrahymena p75OB1-p50PBM
分子名称: Telomerase associated protein p50PBM, Telomerase-associated protein p75OB1
著者Wu, B, Tang, T, Xue, H.J, Wu, J, Lei, M.
登録日2022-03-04
公開日2022-10-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Association of the CST complex and p50 in Tetrahymena is crucial for telomere maintenance
Structure, 2022
7XT2
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BU of 7xt2 by Molmil
Crystal structure of TRIM72
分子名称: Tripartite motif-containing protein 72, ZINC ION
著者Zhou, C, Ma, Y.M, Ding, L.
登録日2022-05-15
公開日2023-03-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis for TRIM72 oligomerization during membrane damage repair.
Nat Commun, 14, 2023
4NIE
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BU of 4nie by Molmil
Crystal structure of the orphan nuclear receptor ROR(gamma)t ligand-binding domain in complex with small molecule ligand
分子名称: 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE, N-(4-{[benzyl(propyl)amino]methyl}phenyl)-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, ...
著者Ma, Y.L, Yang, L.Q.
登録日2013-11-06
公開日2013-12-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Discovery of Tertiary Amine and Indole Derivatives as Potent ROR gamma t Inverse Agonists.
Acs Med.Chem.Lett., 5, 2014
7RPK
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BU of 7rpk by Molmil
Cryo-EM structure of murine Dispatched in complex with Sonic hedgehog
分子名称: (2S)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Asarnow, D, Wang, Q, Ding, K, Cheng, Y, Beachy, P.A.
登録日2021-08-03
公開日2021-10-27
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Dispatched uses Na + flux to power release of lipid-modified Hedgehog.
Nature, 599, 2021
5GT2
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BU of 5gt2 by Molmil
Crystal Structure and Biochemical Features of dye-decolorizing peroxidase YfeX from Escherichia coli O157
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Probable deferrochelatase/peroxidase YfeX
著者Ma, Y.L, Yuan, Z.G, Liu, S, Wang, J.X, Gu, L.C, Liu, X.H.
登録日2016-08-18
公開日2017-02-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.093 Å)
主引用文献Crystal structure and biochemical features of dye-decolorizing peroxidase YfeX from Escherichia coli O157 Asp(143) and Arg(232) play divergent roles toward different substrates
Biochem. Biophys. Res. Commun., 484, 2017
3JUG
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BU of 3jug by Molmil
Crystal structure of endo-beta-1,4-mannanase from the alkaliphilic Bacillus sp. N16-5
分子名称: Beta-mannanase, SULFATE ION
著者Zhao, Y, Zhang, Y, Xue, Y.
登録日2009-09-15
公開日2010-09-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure Analysis of Alkaline beta-mannanase from Alkaliphilic Bacillus sp. N16-5 Implications for Adaptation to Alkaline Conditions
To be Published
6JCJ
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BU of 6jcj by Molmil
Structure of crolibulin in complex with tubulin
分子名称: (4R)-2,7,8-triamino-4-(3-bromo-4,5-dimethoxyphenyl)-4H-1-benzopyran-3-carbonitrile, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Zhang, Z, Yang, J.
登録日2019-01-29
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular mechanism of crolibulin in complex with tubulin provides a rationale for drug design.
Biochem. Biophys. Res. Commun., 511, 2019
3WJO
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BU of 3wjo by Molmil
Crystal structure of Octaprenyl Pyrophosphate synthase from Escherichia coli with isopentenyl pyrophosphate (IPP)
分子名称: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Octaprenyl diphosphate synthase
著者Han, X, Chen, C.C, Kuo, C.J, Huang, C.H, Zheng, Y, Ko, T.P, Zhu, Z, Feng, X, Oldfield, E, Liang, P.H, Guo, R.T, Ma, Y.H.
登録日2013-10-12
公開日2014-06-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structures of ligand-bound octaprenyl pyrophosphate synthase from Escherichia coli reveal the catalytic and chain-length determining mechanisms.
Proteins, 83, 2015
7RPH
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BU of 7rph by Molmil
Cryo-EM structure of murine Dispatched 'R' conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Lauryl Maltose Neopentyl Glycol, ...
著者Asarnow, D, Wang, Q, Ding, K, Cheng, Y, Beachy, P.A.
登録日2021-08-03
公開日2021-10-27
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Dispatched uses Na + flux to power release of lipid-modified Hedgehog.
Nature, 599, 2021
3WJK
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BU of 3wjk by Molmil
Crystal structure of Octaprenyl Pyrophosphate synthase from Escherichia coli
分子名称: Octaprenyl diphosphate synthase
著者Han, X, Chen, C.C, Kuo, C.J, Huang, C.H, Zheng, Y, Ko, T.P, Zhu, Z, Feng, X, Oldfield, E, Liang, P.H, Guo, R.T, Ma, Y.H.
登録日2013-10-11
公開日2014-06-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of ligand-bound octaprenyl pyrophosphate synthase from Escherichia coli reveal the catalytic and chain-length determining mechanisms.
Proteins, 83, 2015
3WJN
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BU of 3wjn by Molmil
Crystal structure of Octaprenyl Pyrophosphate synthase from Escherichia coli with farnesyl S-thiol-pyrophosphate (FSPP)
分子名称: Octaprenyl diphosphate synthase, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE
著者Han, X, Chen, C.C, Kuo, C.J, Huang, C.H, Zheng, Y, Ko, T.P, Zhu, Z, Feng, X, Oldfield, E, Liang, P.H, Guo, R.T, Ma, Y.H.
登録日2013-10-12
公開日2014-06-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structures of ligand-bound octaprenyl pyrophosphate synthase from Escherichia coli reveal the catalytic and chain-length determining mechanisms.
Proteins, 83, 2015
5HMI
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BU of 5hmi by Molmil
HDM2 in complex with a 3,3-Disubstituted Piperidine
分子名称: E3 ubiquitin-protein ligase Mdm2, SULFATE ION, {4-[2-(2-hydroxyethoxy)phenyl]piperazin-1-yl}[(2R,3S)-2-propyl-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}-3-{[5-(trifluoromethyl)thiophen-3-yl]oxy}piperidin-3-yl]methanone
著者Scapin, G.
登録日2016-01-16
公開日2016-04-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Discovery of Novel 3,3-Disubstituted Piperidines as Orally Bioavailable, Potent, and Efficacious HDM2-p53 Inhibitors.
Acs Med.Chem.Lett., 7, 2016
5HMH
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HDM2 in complex with a 3,3-Disubstituted Piperidine
分子名称: 4-[2-(4-{[(2R,3S)-2-propyl-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}-3-{[5-(trifluoromethyl)thiophen-3-yl]oxy}piperidin-3-yl]carbonyl}piperazin-1-yl)phenoxy]butanoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
著者Scapin, G.
登録日2016-01-16
公開日2016-04-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Discovery of Novel 3,3-Disubstituted Piperidines as Orally Bioavailable, Potent, and Efficacious HDM2-p53 Inhibitors.
Acs Med.Chem.Lett., 7, 2016

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