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5K5M
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BU of 5k5m by Molmil
Co-Crystal Structure of Dengue Virus Serotype 2 RNA Dependent RNA Polymerase with Compound 27
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-N-[(3-methoxyphenyl)sulfonyl]benzamide, RNA Dependent RNA Polymerase, ...
著者Arora, R, Benson, T.E.
登録日2016-05-23
公開日2016-08-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling.
Plos Pathog., 12, 2016
3UIT
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BU of 3uit by Molmil
Overall structure of Patj/Pals1/Mals complex
分子名称: ACETATE ION, InaD-like protein, MAGUK p55 subfamily member 5, ...
著者Zhang, J, Yang, X, Long, J, Shen, Y.
登録日2011-11-06
公開日2012-02-22
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure of an L27 domain heterotrimer from cell polarity complex Patj/Pals1/Mals2 reveals mutually independent L27 domain assembly mode
J.Biol.Chem., 287, 2012
7PZP
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BU of 7pzp by Molmil
Mitochondrial DNA dependent RNA polymerase homodimer.
分子名称: DNA-directed RNA polymerase, mitochondrial
著者Das, H, Hallberg, B.M.
登録日2021-10-13
公開日2022-09-28
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Non-coding 7S RNA inhibits transcription via mitochondrial RNA polymerase dimerization.
Cell, 185, 2022
7PZR
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BU of 7pzr by Molmil
Cryo-EM structure of POLRMT in free form.
分子名称: DNA-directed RNA polymerase, mitochondrial
著者Das, H, Hallberg, B.M.
登録日2021-10-13
公開日2022-11-16
最終更新日2023-05-31
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Non-coding 7S RNA inhibits transcription via mitochondrial RNA polymerase dimerization.
Cell, 185, 2022
6M0K
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BU of 6m0k by Molmil
The crystal structure of COVID-19 main protease in complex with an inhibitor 11b
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(2~{S})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide
著者Zhang, B, Zhao, Y, Jin, Z, Liu, X, Yang, H, Liu, H, Rao, Z, Jiang, H.
登録日2020-02-22
公開日2020-04-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.504 Å)
主引用文献Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease.
Science, 368, 2020
8WD8
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BU of 8wd8 by Molmil
Cryo-EM structure of TtdAgo-guide DNA-target DNA complex
分子名称: Argonaute family protein, Guide DNA, MAGNESIUM ION, ...
著者Zhuang, L.
登録日2023-09-14
公開日2024-01-31
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Molecular mechanism for target recognition, dimerization, and activation of Pyrococcus furiosus Argonaute.
Mol.Cell, 84, 2024
8X17
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BU of 8x17 by Molmil
Cryo-EM structure of adenosine receptor A3AR bound to CF102
分子名称: Adenosine receptor A3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Cai, H, Xu, Y, Xu, H.E.
登録日2023-11-06
公開日2024-04-24
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.19 Å)
主引用文献Cryo-EM structures of adenosine receptor A 3 AR bound to selective agonists.
Nat Commun, 15, 2024
8X16
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BU of 8x16 by Molmil
Cryo-EM structure of adenosine receptor A3AR bound to CF101
分子名称: Adenosine receptor A3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Cai, H, Xu, Y, Xu, H.E.
登録日2023-11-06
公開日2024-04-24
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.29 Å)
主引用文献Cryo-EM structures of adenosine receptor A 3 AR bound to selective agonists.
Nat Commun, 15, 2024
8GPY
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BU of 8gpy by Molmil
Crystal structure of Omicron BA.4/5 RBD in complex with a neutralizing antibody scFv
分子名称: Spike protein S1, scFv
著者Gao, Y.X, Song, Z.D, Wang, W.M, Guo, Y.
登録日2022-08-27
公開日2023-06-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
8GOU
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BU of 8gou by Molmil
Omicron BA.4/5 SARS-CoV-2 S in complex with TH003 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH003 Fab heavy chain, ...
著者Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
登録日2022-08-25
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
1VZT
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BU of 1vzt by Molmil
ROLES OF INDIVIDUAL RESIDUES OF ALPHA-1,3 GALACTOSYLTRANSFERASES IN SUBSTRATE BINDING AND CATALYSIS
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, ...
著者Zhang, Y, Swaminathan, G.J, Deshpande, A, Natesh, R, Xie, X, Acharya, K.R, Brew, K.
登録日2004-05-26
公開日2005-05-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Roles of Individual Enzyme-Substrate Interactions by Alpha-1,3-Galactosyltransferase in Catalysis and Specificity.
Biochemistry, 42, 2003
6LI1
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BU of 6li1 by Molmil
Crystal structure of GPR52 ligand free form with flavodoxin fusion
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera of G-protein coupled receptor 52 and Flavodoxin, DI(HYDROXYETHYL)ETHER, ...
著者Luo, Z.P, Lin, X, Xu, F, Han, G.W.
登録日2019-12-10
公開日2020-02-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis of ligand recognition and self-activation of orphan GPR52.
Nature, 579, 2020
6LI0
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BU of 6li0 by Molmil
Crystal structure of GPR52 in complex with agonist c17
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CITRATE ANION, Chimera of G-protein coupled receptor 52 and Flavodoxin, ...
著者Luo, Z.P, Lin, X, Xu, F, Han, G.W.
登録日2019-12-10
公開日2020-02-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis of ligand recognition and self-activation of orphan GPR52.
Nature, 579, 2020
6LI2
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BU of 6li2 by Molmil
Crystal structure of GPR52 ligand free form with rubredoxin fusion
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera of G-protein coupled receptor 52 and Rubredoxin, DI(HYDROXYETHYL)ETHER, ...
著者Luo, Z.P, Lin, X, Xu, F, Han, G.W.
登録日2019-12-10
公開日2020-02-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis of ligand recognition and self-activation of orphan GPR52.
Nature, 579, 2020
6LI3
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BU of 6li3 by Molmil
cryo-EM structure of GPR52-miniGs-NB35
分子名称: G-protein coupled receptor 52, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Li, M, Wang, N, Xu, F, Wu, J, Lei, M.
登録日2019-12-10
公開日2020-02-26
最終更新日2020-03-18
実験手法ELECTRON MICROSCOPY (3.32 Å)
主引用文献Structural basis of ligand recognition and self-activation of orphan GPR52.
Nature, 579, 2020
1WDC
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BU of 1wdc by Molmil
SCALLOP MYOSIN REGULATORY DOMAIN
分子名称: CALCIUM ION, MAGNESIUM ION, SCALLOP MYOSIN
著者Houdusse, A, Cohen, C.
登録日1996-01-19
公開日1996-07-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the regulatory domain of scallop myosin at 2 A resolution: implications for regulation.
Structure, 4, 1996
3HLC
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BU of 3hlc by Molmil
Simvastatin Synthase (LovD) from Aspergillus terreus, S5 mutant, unliganded
分子名称: GLYCEROL, TETRAETHYLENE GLYCOL, Transesterase
著者Sawaya, M.R, Yeates, T.O, Laidman, J, Pashkov, I, Gao, X, Tang, Y.
登録日2009-05-27
公開日2009-10-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Directed evolution and structural characterization of a simvastatin synthase
Chem.Biol., 16, 2009
3HLD
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BU of 3hld by Molmil
Simvastatin Synthase (LovD), from Aspergillus terreus, S5 mutant complex with monacolin J acid
分子名称: (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid, FORMIC ACID, Transesterase
著者Sawaya, M.R, Yeates, T.O, Pashkov, I, Gao, X, Tang, Y.
登録日2009-05-27
公開日2009-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Directed evolution and structural characterization of a simvastatin synthase
Chem.Biol., 16, 2009
3HLG
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BU of 3hlg by Molmil
Simvastatin Synthase (LovD), from Aspergillus terreus, S5 mutant, S76A mutant, complex with lovastatin
分子名称: (3R,5R)-7-((1R,2R,6S,8R,8AS)-2,6-DIMETHYL-8-{[(2R)-2-METHYLBUTANOYL]OXY}-1,2,6,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL)-3,5-DIHYDROXYHEPTANOIC ACID, Transesterase
著者Sawaya, M.R, Yeates, T.O, Pashkov, I, Gao, X, Tang, Y.
登録日2009-05-27
公開日2009-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Directed evolution and structural characterization of a simvastatin synthase
Chem.Biol., 16, 2009
3HLE
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BU of 3hle by Molmil
Simvastatin Synthase (LovD), from Aspergillus terreus, S5 mutant, S76A mutant, complex with monacolin J acid
分子名称: (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Transesterase
著者Sawaya, M.R, Yeates, T.O, Pashkov, I, Gao, X, Tang, Y.
登録日2009-05-27
公開日2009-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Directed evolution and structural characterization of a simvastatin synthase
Chem.Biol., 16, 2009
3HLF
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BU of 3hlf by Molmil
Simvastatin Synthase (LovD), from Aspergillus terreus, S5 mutant, S76A mutant, complex with simvastatin
分子名称: Simvastatin acid, Transesterase
著者Sawaya, M.R, Yeates, T.O, Pashkov, I, Gao, X, Tang, Y.
登録日2009-05-27
公開日2009-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Directed evolution and structural characterization of a simvastatin synthase
Chem.Biol., 16, 2009
3HL9
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BU of 3hl9 by Molmil
Simvastatin Synthase (LovD) from Aspergillus terreus, unliganded
分子名称: Transesterase
著者Sawaya, M.R, Yeates, T.O, Laidman, J, Pashkov, I, Gao, X, Tang, Y.
登録日2009-05-27
公開日2009-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Directed evolution and structural characterization of a simvastatin synthase
Chem.Biol., 16, 2009
3HLB
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BU of 3hlb by Molmil
Simvastatin Synthase (LovD) from Aspergillus terreus, unliganded, selenomethionyl derivative
分子名称: SULFATE ION, Transesterase
著者Sawaya, M.R, Yeates, T.O, Laidman, J, Pashkov, I, Gao, X, Tang, Y.
登録日2009-05-27
公開日2009-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Directed evolution and structural characterization of a simvastatin synthase
Chem.Biol., 16, 2009
6LZE
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BU of 6lze by Molmil
The crystal structure of COVID-19 main protease in complex with an inhibitor 11a
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide
著者Zhang, B, Zhang, Y, Jing, Z, Liu, X, Yang, H, Liu, H, Rao, Z, Jiang, H.
登録日2020-02-19
公開日2020-04-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.505 Å)
主引用文献Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease.
Science, 368, 2020
4E0U
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BU of 4e0u by Molmil
Crystal structure of CdpNPT in complex with thiolodiphosphate and (S)-benzodiazependione
分子名称: (3S)-3-(1H-indol-3-ylmethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione, 1,2-ETHANEDIOL, Cyclic dipeptide N-prenyltransferase, ...
著者Schuller, J.M, Zocher, G, Stehle, T.
登録日2012-03-05
公開日2012-05-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure and catalytic mechanism of a cyclic dipeptide prenyltransferase with broad substrate promiscuity.
J.Mol.Biol., 422, 2012

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