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8I5Y
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BU of 8i5y by Molmil
Structure of human Nav1.7 in complex with vixotrigine
Descriptor: (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, ...
Authors:Wu, Q.R, Yan, N.
Deposit date:2023-01-26
Release date:2023-06-14
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite: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
Descriptor: (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, ...
Authors:Wu, Q.R, Yan, N.
Deposit date:2023-01-25
Release date:2023-06-14
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
8K75
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BU of 8k75 by Molmil
N-terminal domain of FIPV nucleocapsid protein
Descriptor: Nucleoprotein
Authors:Zhang, J.T, Liang, R, Shi, Y.J, Peng, G.Q.
Deposit date:2023-07-26
Release date:2024-07-31
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Identification of novel broad-spectrum antiviral drugs targeting the N-terminal domain of the FIPV nucleocapsid protein.
Int.J.Biol.Macromol., 279, 2024
8J4F
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BU of 8j4f by Molmil
Structure of human Nav1.7 in complex with Hardwickii acid
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, (4~{a}~{R},5~{S},6~{R},8~{a}~{R})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
Authors:Wu, Q.R, Yan, N.
Deposit date:2023-04-19
Release date:2023-06-14
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
4LIY
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BU of 4liy by Molmil
Structure of the adenovirus 3 knob domain K217E and F224S mutant
Descriptor: Fiber protein, SULFATE ION
Authors:Zubieta, C, Fender, P.
Deposit date:2013-07-04
Release date:2014-05-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and functional studies on the interaction of adenovirus fiber knobs and desmoglein 2
J.Virol., 87, 2013
7WPH
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BU of 7wph by Molmil
SARS-CoV2 RBD bound to Fab06
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB06 light chain, Fab06 heavy chain, ...
Authors:Lin, J.Q, El Sahili, A, Lescar, J.
Deposit date:2022-01-23
Release date:2022-03-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth.
Nat Commun, 13, 2022
7WPV
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BU of 7wpv by Molmil
Fab14 - a SARS-CoV2 RBD neutralising antibody
Descriptor: Fab14 heavy chain, Fab14 light chain
Authors:Lin, J.Q, El Sahili, A, Lescar, J.
Deposit date:2022-01-24
Release date:2022-03-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth.
Nat Commun, 13, 2022
5Y37
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BU of 5y37 by Molmil
Crystal structure of GBS GAPDH
Descriptor: Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
Authors:Jin, T, Zhou, K.
Deposit date:2017-07-28
Release date:2018-04-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:High-resolution crystal structure of Streptococcus agalactiae glyceraldehyde-3-phosphate dehydrogenase.
Acta Crystallogr.,Sect.F, 74, 2018
5ZH8
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BU of 5zh8 by Molmil
Crystal Structure of FmtA from Staphylococcus aureus at 2.58 A
Descriptor: GLYCEROL, Protein FmtA
Authors:Dalal, V, Kumar, P, Golemi-Kotra, D, Kumar, P.
Deposit date:2018-03-12
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Repurposing an Ancient Protein Core Structure: Structural Studies on FmtA, a Novel Esterase of Staphylococcus aureus.
J.Mol.Biol., 431, 2019
5ZTC
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BU of 5ztc by Molmil
Apo structure of TetR family transcription regulator Lmo2088 of Listeria monocytogenes EGDe
Descriptor: Lmo2088 protein, PENTAETHYLENE GLYCOL
Authors:Samad, A, Jin, T.
Deposit date:2018-05-02
Release date:2019-06-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:X-ray crystal structure of putative transcription regulator lmo2088 from Listeria monocytogenes.
Biochem.Biophys.Res.Commun., 520, 2019
5XP7
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BU of 5xp7 by Molmil
C-Src in complex with ATP-CHCl
Descriptor: GLYCEROL, MAGNESIUM ION, Proto-oncogene tyrosine-protein kinase Src, ...
Authors:Guo, M, Dai, S, Duan, Y, Chen, L, Chen, Y.
Deposit date:2017-06-01
Release date:2017-09-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.012 Å)
Cite:Remarkably Stereospecific Utilization of ATP alpha , beta-Halomethylene Analogues by Protein Kinases.
J. Am. Chem. Soc., 139, 2017
5XP5
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BU of 5xp5 by Molmil
C-Src in complex with ATP-Chf
Descriptor: MAGNESIUM ION, Proto-oncogene tyrosine-protein kinase Src, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[(S)-fluoranyl-[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid
Authors:Duan, Y, Guo, M, Dai, S, Chen, L, Chen, Y.
Deposit date:2017-06-01
Release date:2018-02-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Remarkably Stereospecific Utilization of ATP alpha , beta-Halomethylene Analogues by Protein Kinases.
J. Am. Chem. Soc., 139, 2017
7FEJ
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BU of 7fej by Molmil
Complex of FMDV A/AF/72 and bovine neutralizing scFv antibody R55
Descriptor: A/AF/72 VP1, A/AF/72 VP2, A/AF/72 VP3, ...
Authors:He, Y, Li, K, Lou, Z.
Deposit date:2021-07-20
Release date:2021-09-29
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (3.91 Å)
Cite:Structures of Foot-and-Mouth Disease Virus with Bovine Neutralizing Antibodies Reveal the Determinant of Intraserotype Cross-Neutralization.
J.Virol., 95, 2021
7FEI
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BU of 7fei by Molmil
Complex of FMDV A/WH/CHA/09 and bovine neutralizing scFv antibody R55
Descriptor: Capsid protein VP0, IG HEAVY CHAIN VARIABLE REGION, IG LAMDA CHAIN VARIABLE REGION
Authors:He, Y, Li, K, Lou, Z.
Deposit date:2021-07-20
Release date:2021-09-29
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.91 Å)
Cite:Structures of Foot-and-Mouth Disease Virus with Bovine Neutralizing Antibodies Reveal the Determinant of Intraserotype Cross-Neutralization.
J.Virol., 95, 2021
7VTC
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BU of 7vtc by Molmil
Crystal structure of MERS main protease in complex with PF07321332
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
Authors:Lin, C, Zhong, F.L, Zhou, X.L, Zhang, J, Li, J.
Deposit date:2021-10-28
Release date:2022-03-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.53865623 Å)
Cite:Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332.
J.Virol., 96, 2022
7VLQ
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BU of 7vlq by Molmil
Crystal structure of SARS-Cov-2 main protease in complex with PF07321332 in spacegroup P212121
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
Authors:Zhou, X.L, Zhong, F.L, Lin, C, Zhang, J, Li, J.
Deposit date:2021-10-05
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.939106 Å)
Cite:Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332.
J.Virol., 96, 2022
7VLO
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BU of 7vlo by Molmil
Crystal structure of SARS coronavirus main protease in complex with PF07321332
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
Authors:Lin, C, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J.
Deposit date:2021-10-05
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.0227 Å)
Cite:Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332.
J.Virol., 96, 2022
7VLP
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BU of 7vlp by Molmil
Crystal structure of SARS-Cov-2 main protease in complex with PF07321332 in spacegroup P1211
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, Replicase polyprotein 1a
Authors:Zhou, X.L, Zhong, F.L, Lin, C, Li, J, Zhang, J.
Deposit date:2021-10-05
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.50251937 Å)
Cite:Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332.
J.Virol., 96, 2022
7W1Y
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BU of 7w1y by Molmil
Human MCM double hexamer bound to natural DNA duplex (polyAT/polyTA)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, DNA (49-MER), ...
Authors:Li, J, Dong, J, Dang, S, Zhai, Y.
Deposit date:2021-11-21
Release date:2023-02-08
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.59 Å)
Cite:The human pre-replication complex is an open complex.
Cell, 186, 2023
5T16
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BU of 5t16 by Molmil
Crystal structure of yeast RNase III (Rnt1p) complexed with a non-hydrolyzable RNA substrate analog
Descriptor: 1,2-ETHANEDIOL, RNA substrate analog, Ribonuclease 3
Authors:Song, H, Ji, X.
Deposit date:2016-08-18
Release date:2017-02-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.783 Å)
Cite:The Functional Cycle of Rnt1p: Five Consecutive Steps of Double-Stranded RNA Processing by a Eukaryotic RNase III.
Structure, 25, 2017
1HEH
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BU of 1heh by Molmil
C-terminal xylan binding domain from Cellulomonas fimi xylanase 11A
Descriptor: ENDO-1,4-BETA-XYLANASE D
Authors:Simpson, P.J, Hefang, X, Bolam, D.N, White, P, Hancock, S.M, Gilbert, H.J, Williamson, M.P.
Deposit date:2000-11-22
Release date:2001-05-10
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Evidence for Synergy between Family 2B Carbohydrate Binding Modules in Cellulomonas Fimi Xylanase 11A
Biochemistry, 40, 2001
1HEJ
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BU of 1hej by Molmil
C-terminal xylan binding domain from Cellulomonas fimi xylanase 11A
Descriptor: ENDO-1,4-BETA-XYLANASE D
Authors:Simpson, P.J, Hefang, X, Bolam, D.N, White, P, Hancock, S.M, Gilbert, H.J, Williamson, M.P.
Deposit date:2000-11-22
Release date:2001-05-10
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Evidence for Synergy between Family 2B Carbohydrate Binding Modules in Cellulomonas Fimi Xylanase 11A
Biochemistry, 40, 2001
8IVB
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BU of 8ivb by Molmil
K113-Ubiquitinated BAK
Descriptor: Bcl-2 homologous antagonist/killer, Ubiquitin
Authors:Dong, X, Cheng, P, Hou, Y.Z, Chen, Y.K, Liu, Z.
Deposit date:2023-03-26
Release date:2024-01-31
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Parkin-mediated ubiquitination inhibits BAK apoptotic activity by blocking its canonical hydrophobic groove.
Commun Biol, 6, 2023
7BZF
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BU of 7bzf by Molmil
COVID-19 RNA-dependent RNA polymerase post-translocated catalytic complex
Descriptor: Non-structural protein 7, Non-structural protein 8, RNA (31-MER), ...
Authors:Wang, Q, Gao, Y, Ji, W, Mu, A, Rao, Z.
Deposit date:2020-04-27
Release date:2020-06-03
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Structural Basis for RNA Replication by the SARS-CoV-2 Polymerase.
Cell, 182, 2020
5HZR
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BU of 5hzr by Molmil
Crystal structure of MtSnf2
Descriptor: 3-(1-methylpiperidinium-1-yl)propane-1-sulfonate, SNF2-family ATP dependent chromatin remodeling factor like protein, SODIUM ION, ...
Authors:Chen, Z.C, Xia, X.
Deposit date:2016-02-02
Release date:2016-07-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structure of chromatin remodeler Swi2/Snf2 in the resting state
Nat.Struct.Mol.Biol., 23, 2016

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