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7XY4
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Cryo-EM structure of SARS-CoV-2 spike in complex with VHH21
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, VHH21
著者Cao, D, Fan, X, Zhang, X.
登録日2022-05-31
公開日2023-09-13
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Identification of nano-abzymes to catalyze the spike-trimer of SARS-CoV-2
To Be Published
7XY3
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BU of 7xy3 by Molmil
Cryo-EM structure of SARS-CoV-2 spike in complex with VHH14
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, VHH14
著者Cao, D, Fan, X, Zhang, X.
登録日2022-05-31
公開日2023-09-13
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Identification of nano-abzymes to catalyze the spike-trimer of SARS-CoV-2
To Be Published
8C3Y
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BU of 8c3y by Molmil
HB3VAR03 apo headstructure (PfEMP1 A)
分子名称: PfEMP1
著者Raghavan, S.S.R, Lavstsen, T, Wang, K.T.
登録日2022-12-29
公開日2023-08-02
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Endothelial protein C receptor binding induces conformational changes to severe malaria-associated group A PfEMP1.
Structure, 31, 2023
8C44
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BU of 8c44 by Molmil
HB3VAR03 apo headstructure (PfEMP1 A) complexed with EPCR
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Endothelial protein C receptor, PHOSPHATIDYLETHANOLAMINE, ...
著者Raghavan, S.S.R, Lavstsen, T, Wang, K.T.
登録日2022-12-31
公開日2023-08-16
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Endothelial protein C receptor binding induces conformational changes to severe malaria-associated group A PfEMP1.
Structure, 31, 2023
4DOY
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BU of 4doy by Molmil
Crystal structure of Dibenzothiophene desulfurization enzyme C
分子名称: Dibenzothiophene desulfurization enzyme C, GLYCEROL
著者Liu, S, Zhang, C, Zhu, D, Gu, L.
登録日2012-02-12
公開日2013-02-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.789 Å)
主引用文献Crystal structure of DszC from Rhodococcus sp. XP at 1.79 angstrom
Proteins, 82, 2014
5WHZ
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BU of 5whz by Molmil
PGDM1400-10E8v4 CODV Fab
分子名称: Anti-HIV CODV-Fab Heavy chain, Anti-HIV CODV-Fab Light chain
著者Lord, D.M, Wei, R.R.
登録日2017-07-18
公開日2017-10-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.549 Å)
主引用文献Trispecific broadly neutralizing HIV antibodies mediate potent SHIV protection in macaques.
Science, 358, 2017
5VOL
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BU of 5vol by Molmil
Bacint_04212 ferulic acid esterase
分子名称: CALCIUM ION, ISOPROPYL ALCOHOL, Putative esterase
著者Koropatkin, N.M, Cann, I, Mackie, R.I.
登録日2017-05-03
公開日2017-07-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Biochemical and Structural Analyses of Two Cryptic Esterases in Bacteroides intestinalis and their Synergistic Activities with Cognate Xylanases.
J. Mol. Biol., 429, 2017
3F9G
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BU of 3f9g by Molmil
Crystal Structure of the F140A mutant of SARS-Coronovirus 3C-like Protease at pH 6.5
分子名称: 3C-like proteinase
著者Hu, T, Li, L, Jiang, H, Shen, X.
登録日2008-11-13
公開日2009-09-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Two adjacent mutations on the dimer interface of SARS coronavirus 3C-like protease cause different conformational changes in crystal structure.
Virology, 388, 2009
7OP3
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BU of 7op3 by Molmil
Cryo-EM structure of P5B-ATPase E2PiSPM
分子名称: Cation-transporting ATPase, SPERMINE
著者Li, P, Gronberg, C, Wang, K.T, Salustros, N, Gourdon, P.E.
登録日2021-05-28
公開日2021-06-30
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure and transport mechanism of P5B-ATPases.
Nat Commun, 12, 2021
4WXM
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BU of 4wxm by Molmil
FleQ REC domain from Pseudomonas aeruginosa PAO1
分子名称: Transcriptional regulator FleQ
著者Su, T, Liu, S, Gu, L.
登録日2014-11-14
公開日2015-09-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The REC domain mediated dimerization is critical for FleQ from Pseudomonas aeruginosa to function as a c-di-GMP receptor and flagella gene regulator
J.Struct.Biol., 192, 2015
6NZV
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BU of 6nzv by Molmil
Crystal structure of HCV NS3/4A protease in complex with compound 12
分子名称: (1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide, HCV NS3/4A protease, SULFATE ION, ...
著者Appleby, T.C, Taylor, J.G.
登録日2019-02-14
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of the pan-genotypic hepatitis C virus NS3/4A protease inhibitor voxilaprevir (GS-9857): A component of Vosevi®.
Bioorg.Med.Chem.Lett., 29, 2019
8XJJ
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BU of 8xjj by Molmil
Co-crystal structure of SOS-1 and a potent, selective and orally bioavailable SOS1 inhibitor RGT-018
分子名称: 1,2-ETHANEDIOL, 5-[4-[[(1~{R})-1-[3-[bis(fluoranyl)methyl]-2-fluoranyl-phenyl]ethyl]amino]-2-methyl-6-morpholin-4-yl-7-oxidanylidene-pyrido[4,3-d]pyrimidin-8-yl]pyridine-2-carbonitrile, Son of sevenless homolog 1
著者Ren, X.
登録日2023-12-21
公開日2024-08-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of RGT-018: a Potent, Selective and Orally Bioavailable SOS1 Inhibitor for KRAS-driven Cancers.
Mol.Cancer Ther., 2024
7OP1
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BU of 7op1 by Molmil
Cryo-EM structure of P5B-ATPase E2PiAlF/SPM
分子名称: Cation-transporting ATPase, MAGNESIUM ION, SPERMINE, ...
著者Li, P, Gourdon, P.
登録日2021-05-28
公開日2021-06-30
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structure and transport mechanism of P5B-ATPases.
Nat Commun, 12, 2021
7OP8
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BU of 7op8 by Molmil
Cryo-EM structure of P5B-ATPase E2Pinhibit
分子名称: BERYLLIUM TRIFLUORIDE ION, Cation-transporting ATPase, MAGNESIUM ION
著者Li, P, Gourdon, P.
登録日2021-05-31
公開日2021-06-30
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure and transport mechanism of P5B-ATPases.
Nat Commun, 12, 2021
7OP5
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BU of 7op5 by Molmil
Cryo-EM structure of P5B-ATPase E2P
分子名称: BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, P5B-ATPase
著者Li, P, Gourdon, P.
登録日2021-05-29
公開日2021-06-30
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structure and transport mechanism of P5B-ATPases.
Nat Commun, 12, 2021
6NZT
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BU of 6nzt by Molmil
Crystal structure of HCV NS3/4A protease in complex with voxilaprevir
分子名称: HCV NS3/4A protease, SULFATE ION, Voxilaprevir, ...
著者Appleby, T.C, Taylor, J.G.
登録日2019-02-14
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovery of the pan-genotypic hepatitis C virus NS3/4A protease inhibitor voxilaprevir (GS-9857): A component of Vosevi®.
Bioorg.Med.Chem.Lett., 29, 2019
8I30
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BU of 8i30 by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with 32j
分子名称: (2~{R})-1-[4,4-bis(fluoranyl)cyclohexyl]carbonyl-4,4-bis(fluoranyl)-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]pyrrolidine-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION
著者Zeng, R, Huang, C, Xie, L.W, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J.
登録日2023-01-16
公開日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery and structure-activity relationship studies of novel alpha-ketoamide derivatives targeting the SARS-CoV-2 main protease.
Eur.J.Med.Chem., 259, 2023
8P2E
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BU of 8p2e by Molmil
Homotypic interacting B1 fab bound to Chondroitin Sulfate A
分子名称: B1 fab heavy, B1 fab light
著者Raghavan, S.S.R, Dagil, R, Wang, K.T, Salanti, A.
登録日2023-05-16
公開日2024-06-05
最終更新日2024-09-11
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Tumor-agnostic cancer therapy using antibodies targeting oncofetal chondroitin sulfate.
Nat Commun, 15, 2024
8I5B
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BU of 8i5b by Molmil
Structure of human Nav1.7 in complex with bupivacaine
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wu, Q.R, Yan, N.
登録日2023-01-24
公開日2023-06-14
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
8I5X
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BU of 8i5x by Molmil
Structure of human Nav1.7 in complex with Vinpocetine
分子名称: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
著者Wu, Q.R, Yan, N.
登録日2023-01-26
公開日2023-06-14
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
8I5Y
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BU of 8i5y by Molmil
Structure of human Nav1.7 in complex with vixotrigine
分子名称: (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
著者Wu, Q.R, Yan, N.
登録日2023-01-26
公開日2023-06-14
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
8I5G
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BU of 8i5g by Molmil
Structure of human Nav1.7 in complex with PF-05089771
分子名称: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
著者Wu, Q.R, Yan, N.
登録日2023-01-25
公開日2023-06-14
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
5J5C
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BU of 5j5c by Molmil
Crystal structure of ARL1-GTP and DCB domain of BIG1 complex
分子名称: ADP-ribosylation factor-like protein 1, Brefeldin A-inhibited guanine nucleotide-exchange protein 1, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Wang, R, Wang, Z, Zhang, T, Ding, J.
登録日2016-04-02
公開日2016-09-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structural basis for targeting BIG1 to Golgi apparatus through interaction of its DCB domain with Arl1
J Mol Cell Biol, 2016
7PQX
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Structure of CtAtm1 in the inward-facing open conformation
分子名称: Putative iron-sulfur protein
著者Li, P, Wang, K.T, Gourdon, P.E.
登録日2021-09-20
公開日2022-08-10
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Structures of Atm1 provide insight into [2Fe-2S] cluster export from mitochondria.
Nat Commun, 13, 2022
7PSD
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BU of 7psd by Molmil
Structure of CtAtm1(E603Q) in the inward-facing open conformation
分子名称: Putative iron-sulfur protein
著者Li, P, Wang, K.T, Gourdon, P.E.
登録日2021-09-22
公開日2022-08-10
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structures of Atm1 provide insight into [2Fe-2S] cluster export from mitochondria.
Nat Commun, 13, 2022

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