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5Z4Z
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BU of 5z4z by Molmil
Crystal structure of PaCysB NTD domain with space group C2
Descriptor: SULFATE ION, Transcriptional regulator CysB
Authors:Yang, C, Liang, H, Gan, J.
Deposit date:2018-01-15
Release date:2019-01-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.053 Å)
Cite:Molecular insights into the master regulator CysB-mediated bacterial virulence in Pseudomonas aeruginosa.
Mol.Microbiol., 111, 2019
7SHU
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BU of 7shu by Molmil
IgE-Fc in complex with omalizumab variant C02
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin heavy constant epsilon, ...
Authors:Pennington, L.F, Jardetzky, T.J, Kleinboelting, S.
Deposit date:2021-10-11
Release date:2021-12-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Directed evolution of and structural insights into antibody-mediated disruption of a stable receptor-ligand complex.
Nat Commun, 12, 2021
7SHY
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BU of 7shy by Molmil
IgE-Fc in complex with omalizumab scFv
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, IgE Fc, ...
Authors:Pennington, L.F, Jardetzky, T.J, Kleinboelting, S.
Deposit date:2021-10-11
Release date:2021-12-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Directed evolution of and structural insights into antibody-mediated disruption of a stable receptor-ligand complex.
Nat Commun, 12, 2021
7SI0
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BU of 7si0 by Molmil
IgE-Fc in complex with 813
Descriptor: 813 Variable fragment Heavy chain, 813 Variable fragment Light chain, IgE Fc, ...
Authors:Pennington, L.F, Jardetzky, T.J, Kleinboelting, S.
Deposit date:2021-10-12
Release date:2021-12-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Directed evolution of and structural insights into antibody-mediated disruption of a stable receptor-ligand complex.
Nat Commun, 12, 2021
7SHZ
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BU of 7shz by Molmil
IgE-Fc in complex with HAE
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Pennington, L.F, Jardetzky, T.J, Kleinboelting, S.
Deposit date:2021-10-11
Release date:2021-12-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Directed evolution of and structural insights into antibody-mediated disruption of a stable receptor-ligand complex.
Nat Commun, 12, 2021
7SHT
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BU of 7sht by Molmil
Structure of a partially disrupted IgE high affinity receptor complex bound to an omalizumab variant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, High affinity immunoglobulin epsilon receptor subunit alpha, ...
Authors:Pennington, L.F, Jardetzky, T.S.
Deposit date:2021-10-11
Release date:2021-12-15
Method:ELECTRON MICROSCOPY (7.29 Å)
Cite:Directed evolution of and structural insights into antibody-mediated disruption of a stable receptor-ligand complex.
Nat Commun, 12, 2021
8UAC
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BU of 8uac by Molmil
CATHEPSIN L IN COMPLEX WITH AC1115
Descriptor: Cathepsin L, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
Authors:Chao, A, DuPrez, K.T, Han, F.Q.
Deposit date:2023-09-20
Release date:2024-02-07
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Olgotrelvir, a dual inhibitor of SARS-CoV-2 M pro and cathepsin L, as a standalone antiviral oral intervention candidate for COVID-19.
Med, 5, 2024
4GJT
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BU of 4gjt by Molmil
complex structure of nectin-4 bound to MV-H
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin glycoprotein, Poliovirus receptor-related protein 4
Authors:Zhang, X, Lu, G, Qi, J, Li, Y, He, Y, Xu, X, Shi, J, Zhang, C, Yan, J, Gao, G.F.
Deposit date:2012-08-10
Release date:2012-10-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.1001 Å)
Cite:Structure of measles virus hemagglutinin bound to its epithelial receptor nectin-4
Nat.Struct.Mol.Biol., 20, 2013
6OT0
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BU of 6ot0 by Molmil
Structure of human Smoothened-Gi complex
Descriptor: 17-[3-(3,3-DIMETHYL-OXIRANYL)-1-METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-OL, Fab heavy chain, Fab light chain, ...
Authors:Qi, X, Li, X.
Deposit date:2019-05-02
Release date:2019-06-12
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Cryo-EM structure of oxysterol-bound human Smoothened coupled to a heterotrimeric Gi.
Nature, 571, 2019
7YSX
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BU of 7ysx by Molmil
Crystal structure of PDE4D complexed with licoisoflavone A
Descriptor: 1,2-ETHANEDIOL, 3-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one, MAGNESIUM ION, ...
Authors:Liu, J.Y, Li, M.J, Xu, Y.C.
Deposit date:2022-08-13
Release date:2023-07-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Bioactive compounds from Huashi Baidu decoction possess both antiviral and anti-inflammatory effects against COVID-19.
Proc.Natl.Acad.Sci.USA, 120, 2023
7YQF
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BU of 7yqf by Molmil
Crystal structure of PDE4D complexed with glycyrrhisoflavone
Descriptor: 1,2-ETHANEDIOL, 3-[3-(3-methylbut-2-enyl)-4,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one, MAGNESIUM ION, ...
Authors:Liu, J.Y, Li, M.J, Xu, Y.C.
Deposit date:2022-08-06
Release date:2023-07-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Bioactive compounds from Huashi Baidu decoction possess both antiviral and anti-inflammatory effects against COVID-19.
Proc.Natl.Acad.Sci.USA, 120, 2023
6PBK
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BU of 6pbk by Molmil
Archaellum periplasmic stator protein complex FlaF and FlaG from Sulfolobus acidocaldarius
Descriptor: 1,2-ETHANEDIOL, Conserved flagellar protein F, DI(HYDROXYETHYL)ETHER, ...
Authors:Tsai, C.-L, Tainer, J.A.
Deposit date:2019-06-14
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.805 Å)
Cite:The structure of the periplasmic FlaG-FlaF complex and its essential role for archaellar swimming motility.
Nat Microbiol, 5, 2020
5ITA
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BU of 5ita by Molmil
Crystal Structure of BRAF Kinase Domain Bound to AZ-VEM
Descriptor: N-{2-cyano-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide, Serine/threonine-protein kinase B-raf
Authors:Wu, Y, Gavathiotis, E.
Deposit date:2016-03-16
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:An integrated model of RAF inhibitor action predicts inhibitor activity against oncogenic BRAF signaling
Cancer Cell, 30, 2016
2QTF
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BU of 2qtf by Molmil
Crystal structure of a GTP-binding protein from the hyperthermophilic archaeon Sulfolobus solfataricus
Descriptor: ACETATE ION, CADMIUM ION, GTP-binding protein, ...
Authors:Wu, H, Sun, L, Brouns, S.J, Fu, S, Rao, Z, Van der Oost, J.
Deposit date:2007-08-02
Release date:2008-08-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a GTP-binding protein from the hyperthermophilic archaeon Sulfolobus solfataricus.
To be Published
2QTH
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BU of 2qth by Molmil
Crystal structure of a GTP-binding protein from the hyperthermophilic archaeon Sulfolobus solfataricus in complex with GDP
Descriptor: ACETATE ION, CADMIUM ION, GTP-binding protein, ...
Authors:Wu, H, Sun, L, Brouns, S.J, Fu, S, Rao, Z, Van der Oost, J.
Deposit date:2007-08-02
Release date:2008-08-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a GTP-binding protein from the hyperthermophilic archaeon Sulfolobus solfataricus.
To be Published
6ZY3
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BU of 6zy3 by Molmil
Cryo-EM structure of MlaFEDB in complex with phospholipid
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, ...
Authors:Dong, C.J, Dong, H.H.
Deposit date:2020-07-30
Release date:2020-11-25
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural insights into outer membrane asymmetry maintenance in Gram-negative bacteria by MlaFEDB.
Nat.Struct.Mol.Biol., 28, 2021
6ZY4
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BU of 6zy4 by Molmil
Cryo-EM structure of MlaFEDB in complex with ADP
Descriptor: ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Dong, C.J, Dong, H.H.
Deposit date:2020-07-30
Release date:2020-11-25
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural insights into outer membrane asymmetry maintenance in Gram-negative bacteria by MlaFEDB.
Nat.Struct.Mol.Biol., 28, 2021
6ZY2
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BU of 6zy2 by Molmil
Cryo-EM structure of apo MlaFEDB
Descriptor: ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, Toluene tolerance protein Ttg2A, ...
Authors:Dong, C.J, Dong, H.H.
Deposit date:2020-07-30
Release date:2020-11-25
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural insights into outer membrane asymmetry maintenance in Gram-negative bacteria by MlaFEDB.
Nat.Struct.Mol.Biol., 28, 2021
6ZY9
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BU of 6zy9 by Molmil
Cryo-EM structure of MlaFEDB in complex with AMP-PNP
Descriptor: ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, MAGNESIUM ION, ...
Authors:Dong, C.J, Dong, H.H.
Deposit date:2020-07-30
Release date:2020-11-25
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural insights into outer membrane asymmetry maintenance in Gram-negative bacteria by MlaFEDB.
Nat.Struct.Mol.Biol., 28, 2021
5GUT
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BU of 5gut by Molmil
The crystal structure of mouse DNMT1 (731-1602) mutant - N1248A
Descriptor: DNA (cytosine-5)-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ...
Authors:Chen, S.J, Ye, F.
Deposit date:2016-08-31
Release date:2017-09-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Biochemical Studies and Molecular Dynamic Simulations Reveal the Molecular Basis of Conformational Changes in DNA Methyltransferase-1.
ACS Chem. Biol., 13, 2018
8SAI
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BU of 8sai by Molmil
Cryo-EM structure of GPR34-Gi complex
Descriptor: 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Yong, X.H, Zhao, C, Yan, W, Shao, Z.H.
Deposit date:2023-04-01
Release date:2023-10-04
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:Cryo-EM structures of human GPR34 enable the identification of selective antagonists.
Proc.Natl.Acad.Sci.USA, 120, 2023
5Y10
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BU of 5y10 by Molmil
SFTSV Gn head domain
Descriptor: Membrane glycoprotein polyprotein, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Wu, Y, Gao, F, Qi, J.X, Chai, Y, Gao, G.F.
Deposit date:2017-07-19
Release date:2017-09-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of phlebovirus glycoprotein Gn and identification of a neutralizing antibody epitope
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5Y0Y
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BU of 5y0y by Molmil
RVFV GN-AU
Descriptor: GOLD ION, NSmGnGc
Authors:Wu, Y, Gao, F, Qi, J.X, Chai, Y, Gao, G.F.
Deposit date:2017-07-19
Release date:2017-09-13
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (3.398 Å)
Cite:Structures of phlebovirus glycoprotein Gn and identification of a neutralizing antibody epitope
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5Y11
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BU of 5y11 by Molmil
SFTSV GN with neutralizing antibody MAb4-5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MAb 4-5 heavy chain, MAb 4-5 light chain, ...
Authors:Wu, Y, Gao, F, Qi, J.X, Chai, Y, Gao, G.F.
Deposit date:2017-07-19
Release date:2017-09-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of phlebovirus glycoprotein Gn and identification of a neutralizing antibody epitope
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5Y0W
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BU of 5y0w by Molmil
The structure of RVFV Gn head domain
Descriptor: NSmGnGc
Authors:Wu, Y, Gao, F, Qi, J.X, Chai, Y, Gao, G.F.
Deposit date:2017-07-19
Release date:2017-09-13
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of phlebovirus glycoprotein Gn and identification of a neutralizing antibody epitope
Proc. Natl. Acad. Sci. U.S.A., 114, 2017

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