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5JRH
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BU of 5jrh by Molmil
Crystal structure of Salmonella enterica acetyl-CoA synthetase (Acs) in complex with cAMP and Coenzyme A
分子名称: (R,R)-2,3-BUTANEDIOL, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Acetyl-coenzyme A synthetase, ...
著者Shen, L, Zhang, Y.
登録日2016-05-06
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.644 Å)
主引用文献Cyclic AMP Inhibits the Activity and Promotes the Acetylation of Acetyl-CoA Synthetase through Competitive Binding to the ATP/AMP Pocket.
J. Biol. Chem., 292, 2017
6CBC
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BU of 6cbc by Molmil
Crystal structure of an N-terminal fragment of Vps13.
分子名称: Vacuolar protein sorting-associated protein
著者Kumar, N, Horenkamp, F.A, Reinisch, K.M.
登録日2018-02-02
公開日2018-08-08
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献VPS13A and VPS13C are lipid transport proteins differentially localized at ER contact sites.
J. Cell Biol., 217, 2018
7EO0
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BU of 7eo0 by Molmil
FOOT AND MOUTH DISEASE VIRUS O/TIBET/99-BOUND THE SINGLE CHAIN FRAGMEN ANTIBODY C4
分子名称: Ig heavy chain variable region, Ig lamda chain variable region, O/TIBET/99 VP1, ...
著者He, Y, Li, K.
登録日2021-04-21
公開日2021-08-18
最終更新日2022-02-23
実験手法ELECTRON MICROSCOPY (3.75 Å)
主引用文献Two Cross-Protective Antigen Sites on Foot-and-Mouth Disease Virus Serotype O Structurally Revealed by Broadly Neutralizing Antibodies from Cattle.
J.Virol., 95, 2021
5Z2C
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BU of 5z2c by Molmil
Crystal structure of ALPK-1 N-terminal domain in complex with ADP-heptose
分子名称: Alpha-protein kinase 1, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4S,5S,6R)-6-[(1S)-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
著者Ding, J, She, Y, Shao, F.
登録日2018-01-02
公開日2018-08-22
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.594 Å)
主引用文献Alpha-kinase 1 is a cytosolic innate immune receptor for bacterial ADP-heptose.
Nature, 561, 2018
7DH7
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BU of 7dh7 by Molmil
Crystal structure of apo XcZur
分子名称: PHOSPHATE ION, Transcriptional regulator fur family, ZINC ION
著者Liu, F.M, Su, Z.H, Chen, P, Tian, X.L, Wu, L.J, Tang, D.J, Li, P.F, Deng, H.T, Tang, J.L, Ming, Z.H.
登録日2020-11-13
公開日2021-06-09
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for zinc-induced activation of a zinc uptake transcriptional regulator.
Nucleic Acids Res., 49, 2021
7DH8
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BU of 7dh8 by Molmil
Crystal structure of holo XcZur
分子名称: Transcriptional regulator fur family, ZINC ION
著者Liu, F.M, Su, Z.H, Chen, P, Tian, X.L, Wu, L.J, Tang, D.J, Li, P.F, Deng, H.T, Tang, J.L, Ming, Z.H.
登録日2020-11-13
公開日2021-06-09
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural basis for zinc-induced activation of a zinc uptake transcriptional regulator.
Nucleic Acids Res., 49, 2021
7YDF
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BU of 7ydf by Molmil
Crystal structure of human SARS2 catalytic domain
分子名称: Serine--tRNA ligase, mitochondrial
著者Wu, S, Li, P, Zhou, X.L, Fang, P.
登録日2022-07-04
公開日2022-11-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Selective degradation of tRNASer(AGY) is the primary driver for mitochondrial seryl-tRNA synthetase-related disease.
Nucleic Acids Res., 50, 2022
7YDG
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BU of 7ydg by Molmil
Crystal structure of human SARS2 catalytic domain with a disease related mutation
分子名称: Serine--tRNA ligase, mitochondrial
著者Wu, S, Li, P, Zhou, X.L, Fang, P.
登録日2022-07-04
公開日2022-11-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Selective degradation of tRNASer(AGY) is the primary driver for mitochondrial seryl-tRNA synthetase-related disease.
Nucleic Acids Res., 50, 2022
5CF8
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BU of 5cf8 by Molmil
CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-10-ETHYL-7-[(3-METHOXYPROPYL)AMINO] -3-METHYL-3,5,8,10-TETRAAZATRICYCLO[7.3.0.0,6] DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE
分子名称: N,N-dicyclopropyl-4-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2
著者Sack, J.S.
登録日2015-07-08
公開日2015-08-26
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of a Highly Selective JAK2 Inhibitor, BMS-911543, for the Treatment of Myeloproliferative Neoplasms.
Acs Med.Chem.Lett., 6, 2015
3QDD
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BU of 3qdd by Molmil
HSP90A N-terminal domain in complex with BIIB021
分子名称: 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine, Heat shock protein HSP 90-alpha
著者Arndt, J.W, Biamonte, M.A.
登録日2011-01-18
公開日2012-07-18
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献EC144 Is a Potent Inhibitor of the Heat Shock Protein 90.
J.Med.Chem., 55, 2012
7U8T
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BU of 7u8t by Molmil
Vps13 adaptor binding domain in complex with Mcp1 PxP motif peptide
分子名称: Mcp1 PxP motif,Putative vacuolar protein sorting-associated protein
著者Adlakha, J, Reinisch, K.M.
登録日2022-03-09
公開日2022-03-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural and biochemical insights into lipid transport by VPS13 proteins.
J.Cell Biol., 221, 2022
7UU9
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BU of 7uu9 by Molmil
Crystal structure of the SARS-CoV-2 main protease in its apo-form
分子名称: 3C-like proteinase nsp5
著者Yang, K.S, Liu, W.R.
登録日2022-04-28
公開日2023-01-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献A Novel Y-Shaped, S-O-N-O-S-Bridged Cross-Link between Three Residues C22, C44, and K61 Is Frequently Observed in the SARS-CoV-2 Main Protease.
Acs Chem.Biol., 18, 2023
7FEI
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BU of 7fei by Molmil
Complex of FMDV A/WH/CHA/09 and bovine neutralizing scFv antibody R55
分子名称: Capsid protein VP0, IG HEAVY CHAIN VARIABLE REGION, IG LAMDA CHAIN VARIABLE REGION
著者He, Y, Li, K, Lou, Z.
登録日2021-07-20
公開日2021-09-29
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.91 Å)
主引用文献Structures of Foot-and-Mouth Disease Virus with Bovine Neutralizing Antibodies Reveal the Determinant of Intraserotype Cross-Neutralization.
J.Virol., 95, 2021
7FEJ
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BU of 7fej by Molmil
Complex of FMDV A/AF/72 and bovine neutralizing scFv antibody R55
分子名称: A/AF/72 VP1, A/AF/72 VP2, A/AF/72 VP3, ...
著者He, Y, Li, K, Lou, Z.
登録日2021-07-20
公開日2021-09-29
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.91 Å)
主引用文献Structures of Foot-and-Mouth Disease Virus with Bovine Neutralizing Antibodies Reveal the Determinant of Intraserotype Cross-Neutralization.
J.Virol., 95, 2021
7RSM
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BU of 7rsm by Molmil
Crystal structure of pyrrolysyl-tRNA synthetase (N346D/C348S/Y384F) in complex with o-Chlorophenylalanine and AMP-PNP
分子名称: 2-chloro-L-phenylalanine, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Pyrrolysine--tRNA ligase
著者Yang, K, Liu, W.
登録日2021-08-11
公開日2022-07-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A Designed, Highly Efficient Pyrrolysyl-tRNA Synthetase Mutant Binds o-Chlorophenylalanine Using Two Halogen Bonds.
J.Mol.Biol., 434, 2022
4JND
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BU of 4jnd by Molmil
Structure of a C.elegans sex determining protein
分子名称: Ca(2+)/calmodulin-dependent protein kinase phosphatase, MAGNESIUM ION
著者Feng, Y, Zhang, Y, Ge, J, Yang, M.
登録日2013-03-15
公開日2013-06-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.652 Å)
主引用文献Structural insight into Caenorhabditis elegans sex-determining protein FEM-2.
J.Biol.Chem., 288, 2013
7RVR
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BU of 7rvr by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI18
分子名称: 3C-like proteinase, N-[(benzyloxy)carbonyl]-3-methyl-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2023-10-18
実験手法X-RAY DIFFRACTION (2.46 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
7RVV
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BU of 7rvv by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI22
分子名称: 3C-like proteinase, N-[(benzyloxy)carbonyl]-2-methyl-L-alanyl-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2023-10-18
実験手法X-RAY DIFFRACTION (3 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
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
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
7RVX
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BU of 7rvx by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI24
分子名称: 3C-like proteinase, benzyl [(1S)-1-cyclopropyl-2-{[(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]amino}-2-oxoethyl]carbamate
著者Yang, K, Liu, W.
登録日2021-08-19
公開日2022-07-20
最終更新日2023-11-15
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
7RVN
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BU of 7rvn by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI12
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methylidene-L-norvalinamide
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 (1.63 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
7RVO
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BU of 7rvo by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI13
分子名称: 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-3-cyclopropyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
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 (1.8 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

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