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7DLW
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BU of 7dlw by Molmil
Crystal structure of Arabidopsis ACS7 in complex with PPG
Descriptor: (2E,3E)-4-(2-aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid, 1-aminocyclopropane-1-carboxylate synthase 7, SULFATE ION
Authors:Hao, B, Zhang, Y, Li, X, Rao, Z.
Deposit date:2020-11-30
Release date:2021-09-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Dual activities of ACC synthase: Novel clues regarding the molecular evolution of ACS genes.
Sci Adv, 7, 2021
3SWC
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BU of 3swc by Molmil
GLP (G9a-like protein) SET domain in complex with Dnmt3aK44me2 peptide
Descriptor: DNA (cytosine-5)-methyltransferase 3A, Histone-lysine N-methyltransferase EHMT1, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Chang, Y, Horton, J.R, Zhang, X, Cheng, X.
Deposit date:2011-07-13
Release date:2011-11-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.332 Å)
Cite:MPP8 mediates the interactions between DNA methyltransferase Dnmt3a and H3K9 methyltransferase GLP/G9a.
Nat Commun, 2, 2011
3SX4
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BU of 3sx4 by Molmil
Crystal structure of human dpp-iv in complex with sa-(+)-3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)- 2-methyl-5h-pyrrolo[3,4-b]pyridin-7(6h)-one
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-2-methyl-5,6-dihydro-7H-pyrrolo[3,4-b]pyridin-7-one, ...
Authors:Klei, H.E.
Deposit date:2011-07-14
Release date:2011-10-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:7-Oxopyrrolopyridine-derived DPP4 inhibitors-mitigation of CYP and hERG liabilities via introduction of polar functionalities in the active site.
Bioorg.Med.Chem.Lett., 21, 2011
8F22
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BU of 8f22 by Molmil
HIV-CA Disulfide linked Hexamer bound to 11l capsid inhibitor.
Descriptor: Capsid protein p24, Nalpha-{[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]acetyl}-N-(4-methoxyphenyl)-N-methyl-L-phenylalaninamide
Authors:Barnett, M.J, Goldstone, D.C.
Deposit date:2022-11-06
Release date:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of a benzosulfonamide based inhibitor - bound to a disulfide stabilised HIV-1 capsid hexamer
Biorxiv, 2023
8HAY
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BU of 8hay by Molmil
d4-bound btDPP4
Descriptor: (1~{R})-1-[[4-[5-[[(1~{R})-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]methyl]-2-methoxy-phenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinoline, btDPP4
Authors:Hang, J, Jiang, C, Wang, K, Zhang, Z, Guo, F, Liu, J, Wang, G, Lei, X, Gonzalez, F, Qiao, J.
Deposit date:2022-10-27
Release date:2023-07-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Microbial-host-isozyme analyses reveal microbial DPP4 as a potential antidiabetic target.
Science, 381, 2023
7WL4
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BU of 7wl4 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor SLP-50
Descriptor: Bromodomain-containing protein 4, ~{N}-[2-ethyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2,4-bis(fluoranyl)benzenesulfonamide
Authors:Zhang, C, Wang, C, Li, W, Zhang, Y, Xu, Y, Sun, L.
Deposit date:2022-01-12
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Design, synthesis, and anticancer evaluation of ammosamide B with pyrroloquinoline derivatives as novel BRD4 inhibitors.
Bioorg.Chem., 127, 2022
7V27
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BU of 7v27 by Molmil
RBD/XG005 local refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, XG005-VH, ...
Authors:Zhan, W.Q, Zhang, X, Sun, L, Chen, Z.G.
Deposit date:2021-08-07
Release date:2022-08-10
Method:ELECTRON MICROSCOPY (4.18 Å)
Cite:RBD/XG005 local refinement
To Be Published
7WWH
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BU of 7wwh by Molmil
Crystal structure of the Geobacillus thermoglucosidasius feruloyl esterase GthFAE
Descriptor: Alpha/beta hydrolase
Authors:Yang, W, Wu, Y.
Deposit date:2022-02-12
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structure-guided rational design of the Geobacillus thermoglucosidasius feruloyl esterase GthFAE to improve its thermostability.
Biochem.Biophys.Res.Commun., 600, 2022
6KI0
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BU of 6ki0 by Molmil
Crystal Structure of Human ASC-CARD
Descriptor: Maltose/maltodextrin-binding periplasmic protein,Apoptosis-associated speck-like protein containing a CARD, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Xu, Z.H, Jin, T.C.
Deposit date:2019-07-16
Release date:2020-07-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Homotypic CARD-CARD interaction is critical for the activation of NLRP1 inflammasome.
Cell Death Dis, 12, 2021
8I8A
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BU of 8i8a by Molmil
Cryo-EM structure of the major capsid protein VP39 of Autographa californica multiple nucleopolyhedrovirus (AcMNPV)
Descriptor: Major viral capsid protein
Authors:Jia, X, Zhang, Q.
Deposit date:2023-02-03
Release date:2023-12-13
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Architecture of the baculovirus nucleocapsid revealed by cryo-EM.
Nat Commun, 14, 2023
8I8C
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BU of 8i8c by Molmil
Plug structure of the Autographa californica multiple nucleopolyhedrovirus (AcMNPV)
Descriptor: Occlusion-derived virus envelope/capsid protein, P40
Authors:Jia, X, Gao, Y, Zhang, Q.
Deposit date:2023-02-03
Release date:2023-12-13
Method:ELECTRON MICROSCOPY (4.93 Å)
Cite:Architecture of the baculovirus nucleocapsid revealed by cryo-EM.
Nat Commun, 14, 2023
8I8B
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BU of 8i8b by Molmil
Outer shell and inner layer structures of Autographa californica multiple nucleopolyhedrovirus (AcMNPV)
Descriptor: 38K, AcOrf-109 peptide, Early 49 Daa protein, ...
Authors:Jia, X, Gao, Y, Zhang, Q.
Deposit date:2023-02-03
Release date:2023-12-13
Method:ELECTRON MICROSCOPY (4.31 Å)
Cite:Architecture of the baculovirus nucleocapsid revealed by cryo-EM.
Nat Commun, 14, 2023
7XST
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BU of 7xst by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron spike glycoprotein in complex with three F61 Fab and three D2 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D2 heavy chain, D2 light chain, ...
Authors:Wang, X, Li, X.
Deposit date:2022-05-15
Release date:2022-11-23
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Structural basis of a two-antibody cocktail exhibiting highly potent and broadly neutralizing activities against SARS-CoV-2 variants including diverse Omicron sublineages.
Cell Discov, 8, 2022
7XMX
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BU of 7xmx by Molmil
Cryo-EM structure of SARS-CoV-2 spike glycoprotein in complex with three F61 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, F61 heavy chain, F61 light chain, ...
Authors:Wang, X, Li, X.
Deposit date:2022-04-27
Release date:2022-11-23
Method:ELECTRON MICROSCOPY (3.62 Å)
Cite:Structural basis of a two-antibody cocktail exhibiting highly potent and broadly neutralizing activities against SARS-CoV-2 variants including diverse Omicron sublineages.
Cell Discov, 8, 2022
7XMZ
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BU of 7xmz by Molmil
Cryo-EM structure of SARS-CoV-2 spike glycoprotein in complex with three D2 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D2 heavy chain, D2 light chain, ...
Authors:Wang, X, Li, X.
Deposit date:2022-04-27
Release date:2022-11-23
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Structural basis of a two-antibody cocktail exhibiting highly potent and broadly neutralizing activities against SARS-CoV-2 variants including diverse Omicron sublineages.
Cell Discov, 8, 2022
7E1A
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BU of 7e1a by Molmil
Human bile salt exporter ABCB11 in complex with taurocholate
Descriptor: Bile salt export pump, TAUROCHOLIC ACID
Authors:Wang, L, How, W.T, Chen, Y.
Deposit date:2021-02-01
Release date:2022-02-09
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.66 Å)
Cite:Structures of human bile acid exporter ABCB11 reveal a transport mechanism facilitated by two tandem substrate-binding pockets.
Cell Res., 32, 2022
7DV5
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BU of 7dv5 by Molmil
Human bile salt exporter ABCB11 in complex with taurocholate
Descriptor: Bile salt export pump, TAUROCHOLIC ACID
Authors:Wang, L, How, W.T, Chen, Y.
Deposit date:2021-01-12
Release date:2022-01-19
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structures of human bile acid exporter ABCB11 reveal a transport mechanism facilitated by two tandem substrate-binding pockets.
Cell Res., 32, 2022
7WLI
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BU of 7wli by Molmil
CryoEM structure of human low-voltage activated T-type calcium channel CaV3.3 (apo)
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:He, L, Yu, Z, Dong, Y, Chen, Q, Zhao, Y.
Deposit date:2022-01-13
Release date:2022-05-04
Last modified:2022-05-25
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure, gating, and pharmacology of human Ca V 3.3 channel.
Nat Commun, 13, 2022
7WLK
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BU of 7wlk by Molmil
CryoEM structure of human low-voltage activated T-type calcium channel Cav3.3 in complex with Otilonium Bromide(OB)
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-[diethyl(methyl)-$l^{4}-azanyl]ethyl 4-[(2-octoxyphenyl)carbonylamino]benzoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:He, L, Yu, Z, Dong, Y, Chen, Q, Zhao, Y.
Deposit date:2022-01-13
Release date:2022-05-04
Last modified:2022-05-25
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure, gating, and pharmacology of human Ca V 3.3 channel.
Nat Commun, 13, 2022
7WLJ
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BU of 7wlj by Molmil
CryoEM structure of human low-voltage activated T-type calcium channel Cav3.3 in complex with mibefradil (MIB)
Descriptor: (1S,2S)-2-(2-{[3-(1H-benzimidazol-2-yl)propyl](methyl)amino}ethyl)-6-fluoro-1-(propan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl methoxyacetate, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:He, L, Yu, Z, Dong, Y, Chen, Q, Zhao, Y.
Deposit date:2022-01-13
Release date:2022-05-04
Last modified:2022-05-25
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structure, gating, and pharmacology of human Ca V 3.3 channel.
Nat Commun, 13, 2022
7WLL
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BU of 7wll by Molmil
CryoEM structure of human low-voltage activated T-type calcium channel Cav3.3 in complex with pimozide(PMZ)
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1~{H}-benzimidazol-2-one, ...
Authors:He, L, Yu, Z, Dong, Y, Chen, Q, Zhao, Y.
Deposit date:2022-01-13
Release date:2022-05-04
Last modified:2022-05-25
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure, gating, and pharmacology of human Ca V 3.3 channel.
Nat Commun, 13, 2022
7XF5
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BU of 7xf5 by Molmil
Full length human CLC-2 channel in apo state
Descriptor: Chloride channel protein 2
Authors:Wang, L.
Deposit date:2022-04-01
Release date:2023-05-03
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Cryo-EM structures of ClC-2 chloride channel reveal the blocking mechanism of its specific inhibitor AK-42
Nat Commun, 14, 2023
7XJA
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BU of 7xja by Molmil
TMD masked refine map of human ClC-2
Descriptor: Chloride channel protein 2
Authors:Wang, L.
Deposit date:2022-04-15
Release date:2023-05-17
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structures of ClC-2 chloride channel reveal the blocking mechanism of its specific inhibitor AK-42
Nat Commun, 14, 2023
7DQ9
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BU of 7dq9 by Molmil
Crystal structure of a type-A feruloyl esterase from gut Alistipes shahii
Descriptor: Predicted hydrolases or acyltransferases (Alpha/beta hydrolase superfamily)
Authors:Wei, X, Gu, T.Y, Xin, F.J, Wang, Y.L.
Deposit date:2020-12-22
Release date:2021-12-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:The alpha-Helical Cap Domain of a Novel Esterase from Gut Alistipes shahii Shaping the Substrate-Binding Pocket.
J.Agric.Food Chem., 69, 2021
7FGE
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BU of 7fge by Molmil
A naturally-occurring neuraminidase-inhibitors-resistant NA from asiatic toad influenza B-like virus
Descriptor: 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, CALCIUM ION, toad NA (PER)
Authors:Chai, Y, Wu, Y, Gao, F.
Deposit date:2021-07-26
Release date:2022-08-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and inhibitor sensitivity analysis of influenza B-like viral neuraminidases derived from Asiatic toad and spiny eel.
Proc.Natl.Acad.Sci.USA, 119, 2022

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