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7XIL
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BU of 7xil by Molmil
SARS-CoV-2-Beta-RBD and B38-GWP/P-VK antibody complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, B38 Fab heavy chain, B38 Fab light chain, ...
著者Shi, R, Wang, Y, Wu, Z, Han, X, Yan, J.
登録日2022-04-13
公開日2023-04-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献SARS-CoV-2-Beta-RBD and B38-GWP/P-VK antibody complex
To Be Published
7XIK
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BU of 7xik by Molmil
SARS-CoV-2-Omicron-RBD and B38-GWP/P-VK antibody complex
分子名称: B38 Fab heavy chain, B38 Fab light chain, Spike protein S1
著者Shi, R, Wang, Y, Wu, Z, Han, X, Yan, J.
登録日2022-04-13
公開日2023-04-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献SARS-CoV-2-Omicron-RBD and B38-GWP/P-VK antibody complex
To Be Published
7CCD
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BU of 7ccd by Molmil
Sulfur binding domain of SprMcrA complexed with phosphorothioated DNA
分子名称: DNA (5'-D(*CP*AP*CP*GP*TP*TP*CP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*CP*GP*AS*AP*CP*GP*TP*G)-3'), HNHc domain-containing protein
著者Yu, H, Li, J, Liu, G, Zhao, G, Wang, Y, Hu, W, Deng, Z, Gan, J, Zhao, Y, He, X.
登録日2020-06-16
公開日2020-07-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献DNA backbone interactions impact the sequence specificity of DNA sulfur-binding domains: revelations from structural analyses.
Nucleic Acids Res., 48, 2020
7CJB
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BU of 7cjb by Molmil
VHL recognizes hydroxyproline in RIPK1
分子名称: Elongin-B, Elongin-C, GLYCEROL, ...
著者Liu, J, Wang, Y, Pan, L.
登録日2020-07-09
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献VHL recognizes hydroxyproline in RIPK1
To Be Published
7DAF
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BU of 7daf by Molmil
IXA in complex with tubulin
分子名称: (1~{S},3~{S},7~{S},10~{R},11~{S},12~{S},16~{R})-8,8,10,12,16-pentamethyl-3-[(~{E})-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,11-bis(oxidanyl)-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Wu, C, Wang, Y.
登録日2020-10-16
公開日2021-03-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献High-resolution X-ray structure of three microtubule-stabilizing agents in complex with tubulin provide a rationale for drug design.
Biochem.Biophys.Res.Commun., 534, 2021
7DAE
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BU of 7dae by Molmil
EPB in complex with tubulin
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7,11-DIHYDROXY-8,8,10,12,16-PENTAMETHYL-3-[1-METHYL-2-(2-METHYL-THIAZOL-4-YL)VINYL]-4,17-DIOXABICYCLO[14.1.0]HEPTADECANE-5,9-DIONE, CALCIUM ION, ...
著者Wu, C, Wang, Y.
登録日2020-10-16
公開日2021-03-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.394 Å)
主引用文献High-resolution X-ray structure of three microtubule-stabilizing agents in complex with tubulin provide a rationale for drug design.
Biochem.Biophys.Res.Commun., 534, 2021
3IGC
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BU of 3igc by Molmil
Smallpox virus topoisomerase-DNA transition state
分子名称: 5'-D(*AP*TP*TP*CP*C)-3', 5'-D(*CP*GP*GP*AP*AP*TP*AP*AP*GP*GP*GP*CP*GP*AP*CP*A)-3', 5'-D(*GP*TP*GP*TP*CP*GP*CP*CP*CP*TP*T)-3', ...
著者Perry, K, Hwang, Y, Bushman, F.D, Van Duyne, G.D.
登録日2009-07-27
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Insights from the Structure of a Smallpox Virus Topoisomerase-DNA Transition State Mimic.
Structure, 18, 2010
6VRG
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BU of 6vrg by Molmil
Structure of HIV-1 integrase with native amino-terminal sequence
分子名称: Integrase, PHOSPHATE ION, POTASSIUM ION, ...
著者Eilers, G, Gupta, K, Allen, A, Zhou, J, Hwang, Y, Cory, M, Bushman, F.D, Van Duyne, G.D.
登録日2020-02-07
公開日2020-09-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Influence of the amino-terminal sequence on the structure and function of HIV integrase.
Retrovirology, 17, 2020
1HYV
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BU of 1hyv by Molmil
HIV INTEGRASE CORE DOMAIN COMPLEXED WITH TETRAPHENYL ARSONIUM
分子名称: CHLORIDE ION, INTEGRASE, SULFATE ION, ...
著者Molteni, V, Greenwald, J, Rhodes, D, Hwang, Y, Kwiatkowski, W, Bushman, F.D, Siegel, J.S, Choe, S.
登録日2001-01-22
公開日2001-04-04
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Identification of a small-molecule binding site at the dimer interface of the HIV integrase catalytic domain.
Acta Crystallogr.,Sect.D, 57, 2001
1HYZ
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BU of 1hyz by Molmil
HIV INTEGRASE CORE DOMAIN COMPLEXED WITH A DERIVATIVE OF TETRAPHENYL ARSONIUM.
分子名称: (3,4-DIHYDROXY-PHENYL)-TRIPHENYL-ARSONIUM, CHLORIDE ION, INTEGRASE, ...
著者Molteni, V, Greenwald, J, Rhodes, D, Hwang, Y, Kwiatkowski, W, Bushman, F.D, Siegel, J.S, Choe, S.
登録日2001-01-22
公開日2001-04-04
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification of a small-molecule binding site at the dimer interface of the HIV integrase catalytic domain.
Acta Crystallogr.,Sect.D, 57, 2001
2H7F
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BU of 2h7f by Molmil
Structure of variola topoisomerase covalently bound to DNA
分子名称: 5'-D(*TP*AP*AP*TP*AP*AP*GP*GP*GP*CP*GP*AP*CP*A)-3', 5'-D(*TP*TP*GP*TP*CP*GP*CP*CP*CP*TP*T)-3', DNA topoisomerase 1
著者Perry, K, Hwang, Y, Bushman, F.D, Van Duyne, G.D.
登録日2006-06-02
公開日2006-08-15
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for specificity in the poxvirus topoisomerase.
Mol.Cell, 23, 2006
2H7G
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BU of 2h7g by Molmil
Structure of variola topoisomerase non-covalently bound to DNA
分子名称: 5'-D(*TP*AP*AP*TP*AP*AP*GP*GP*GP*CP*GP*AP*CP*A)-3', 5'-D(*TP*TP*GP*TP*CP*GP*CP*CP*CP*TP*TP*A)-3', DNA topoisomerase 1
著者Perry, K, Hwang, Y, Bushman, F.D, Van Duyne, G.D.
登録日2006-06-02
公開日2006-08-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for specificity in the poxvirus topoisomerase.
Mol.Cell, 23, 2006
8Z9A
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BU of 8z9a by Molmil
Cryo-EM structure of the insect olfactory receptor OR5-Orco heterocomplex from Acyrthosiphon pisum bound with geranyl acetate
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Odorant receptor, ApisOR5, ...
著者Wang, Y.D, Qiu, L, Guan, Z.Y, Wang, Q, Wang, G.R, Yin, P.
登録日2024-04-23
公開日2024-06-19
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for odorant recognition of the insect odorant receptor OR-Orco heterocomplex.
Science, 384, 2024
8Z9Z
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BU of 8z9z by Molmil
Cryo-EM structure of the insect olfactory receptor OR5-Orco heterocomplex from Acyrthosiphon pisum
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Odorant receptor, ApisOR5, ...
著者Wang, Y.D, Qiu, L, Guan, Z.Y, Wang, Q, Wang, G.R, Yin, P.
登録日2024-04-24
公開日2024-06-19
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural basis for odorant recognition of the insect odorant receptor OR-Orco heterocomplex.
Science, 384, 2024
8KHD
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BU of 8khd by Molmil
The interface structure of Omicron RBD binding to 5817 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 5817, Light chain of 5817, ...
著者Cao, L, Wang, X.
登録日2023-08-21
公開日2024-04-17
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Identification of a broad sarbecovirus neutralizing antibody targeting a conserved epitope on the receptor-binding domain.
Cell Rep, 43, 2024
8KHC
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BU of 8khc by Molmil
SARS-CoV-2 Omicron spike in complex with 5817 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 5817 Fab, ...
著者Cao, L, Wang, X.
登録日2023-08-21
公開日2024-04-17
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Identification of a broad sarbecovirus neutralizing antibody targeting a conserved epitope on the receptor-binding domain.
Cell Rep, 43, 2024
8GUN
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BU of 8gun by Molmil
Crystal structure of mutant H528A of EsaD from Staphylococcus aureus
分子名称: MAGNESIUM ION, Type VII secretion system protein EssD
著者Zhang, Z.M, Wang, Y.J.
登録日2022-09-13
公開日2022-11-09
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.30001378 Å)
主引用文献A toxin-deformation dependent inhibition mechanism in the T7SS toxin-antitoxin system of Gram-positive bacteria.
Nat Commun, 13, 2022
8GUP
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BU of 8gup by Molmil
Crystal structure of EsaG from Staphylococcus aureus
分子名称: CITRIC ACID, Type VII secretion system protein EsaG
著者Zhang, Z.M, Wang, Y.J.
登録日2022-09-13
公開日2022-11-09
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.298725 Å)
主引用文献A toxin-deformation dependent inhibition mechanism in the T7SS toxin-antitoxin system of Gram-positive bacteria.
Nat Commun, 13, 2022
8GUO
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BU of 8guo by Molmil
Crystal structure of the nuclease domain of EsaD in complex with EsaG from Staphylococcus aureus
分子名称: Type VII secretion system protein EsaG, Type VII secretion system protein EssD
著者Zhang, Z.M, Wang, Y.J.
登録日2022-09-13
公開日2022-11-09
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5939517 Å)
主引用文献A toxin-deformation dependent inhibition mechanism in the T7SS toxin-antitoxin system of Gram-positive bacteria.
Nat Commun, 13, 2022
7BXF
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BU of 7bxf by Molmil
MvcA-Lpg2149 complex
分子名称: Lpg2149, MvcA, PRASEODYMIUM ION
著者Gao, P.
登録日2020-04-19
公開日2020-05-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Insights into catalysis and regulation of non-canonical ubiquitination and deubiquitination by bacterial deamidase effectors.
Nat Commun, 11, 2020
4O9S
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BU of 4o9s by Molmil
Crystal structure of Retinol-Binding Protein 4 (RBP4)in complex with a non-retinoid ligand
分子名称: 1,2-ETHANEDIOL, 1-[4-(7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone, CHLORIDE ION, ...
著者Wang, Z, Johnstone, S, Walker, N.P.
登録日2014-01-02
公開日2014-07-02
最終更新日2020-02-19
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-assisted discovery of the first non-retinoid ligands for Retinol-Binding Protein 4.
Bioorg.Med.Chem.Lett., 24, 2014
4PSQ
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BU of 4psq by Molmil
Crystal Structure of Retinol-Binding Protein 4 (RBP4) in complex with a non-retinoid ligand
分子名称: (1-benzyl-1H-imidazol-4-yl)[4-(2-chlorophenyl)piperazin-1-yl]methanone, 1,2-ETHANEDIOL, PHOSPHATE ION, ...
著者Wang, Z, Johnstone, S, Walker, N.
登録日2014-03-07
公開日2014-07-02
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-assisted discovery of the first non-retinoid ligands for Retinol-Binding Protein 4.
Bioorg.Med.Chem.Lett., 24, 2014
6OVB
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BU of 6ovb by Molmil
Crystal structure of a Bacillus thuringiensis Cry1Da tryptic core variant
分子名称: Active core crystal toxin protein 1D
著者Rydel, T.J, Halls, C, Evdokimov, A.G, Beishir, S.C.
登録日2019-05-07
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.611 Å)
主引用文献Bacillus thuringiensis Cry1Da_7 and Cry1B.868 Protein Interactions with Novel Receptors Allow Control of Resistant Fall Armyworms, Spodoptera frugiperda (J.E. Smith).
Appl.Environ.Microbiol., 85, 2019
6OWK
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BU of 6owk by Molmil
Crystal structure of a Bacillus thuringiensis Cry1B.867 tryptic core variant
分子名称: Pesticidal crystal protein Cry1Be, Cry1K-like protein chimera
著者Rydel, T.J, Evdokimov, A, Beishir, S.C.
登録日2019-05-10
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.698 Å)
主引用文献Bacillus thuringiensis Cry1Da_7 and Cry1B.868 Protein Interactions with Novel Receptors Allow Control of Resistant Fall Armyworms, Spodoptera frugiperda (J.E. Smith).
Appl.Environ.Microbiol., 85, 2019
6IIM
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BU of 6iim by Molmil
USP14 catalytic domain with IU1-206
分子名称: 1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethan-1-one, Ubiquitin carboxyl-terminal hydrolase 14
著者Mei, Z.Q, Wang, J.W, Wang, F, Wang, Y.W.
登録日2018-10-07
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade.
Cell Res., 28, 2018

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