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7E2T
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BU of 7e2t by Molmil
Synechocystis GUN4 in complex with phycocyanobilin
Descriptor: 3-[2-[(~{Z})-[5-[(~{Z})-[(4~{R})-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{Z})-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, CHLORIDE ION, Ycf53-like protein
Authors:Liu, L, Hu, J.
Deposit date:2021-02-07
Release date:2021-08-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structural basis of bilin binding by the chlorophyll biosynthesis regulator GUN4.
Protein Sci., 30, 2021
7E2R
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BU of 7e2r by Molmil
The ligand-free structure of Arabidopsis thaliana GUN4
Descriptor: Tetrapyrrole-binding protein, chloroplastic
Authors:Liu, L, Hu, J.
Deposit date:2021-02-07
Release date:2021-08-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of bilin binding by the chlorophyll biosynthesis regulator GUN4.
Protein Sci., 30, 2021
7E2S
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BU of 7e2s by Molmil
Synechocystis GUN4 in complex with biliverdin IXa
Descriptor: BILIVERDINE IX ALPHA, GLYCEROL, Ycf53-like protein
Authors:Liu, L, Hu, J.
Deposit date:2021-02-07
Release date:2021-08-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Structural basis of bilin binding by the chlorophyll biosynthesis regulator GUN4.
Protein Sci., 30, 2021
7FH6
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BU of 7fh6 by Molmil
Friedel-Crafts alkylation enzyme CylK
Descriptor: CALCIUM ION, CHLORIDE ION, CylK, ...
Authors:Liu, L, Wang, H.Q, Xiang, Z.
Deposit date:2021-07-29
Release date:2022-02-16
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural Basis for the Friedel-Crafts Alkylation in Cylindrocyclophane Biosynthesis
ACS Catal., 12, 2022
1M7Q
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BU of 1m7q by Molmil
Crystal structure of p38 MAP kinase in complex with a dihydroquinazolinone inhibitor
Descriptor: 1-(2,6-DICHLOROPHENYL)-5-(2,4-DIFLUOROPHENYL)-7-PIPERAZIN-1-YL-3,4-DIHYDROQUINAZOLIN-2(1H)-ONE, Mitogen-activated protein kinase 14, SULFATE ION
Authors:Stelmach, J.E, Liu, L, Patel, S.B, Pivnichny, J.V, Scapin, G, Singh, S, Hop, C.E.C.A, Wang, Z, Cameron, P.M, Nichols, E.A, O'Keefe, S.J, O'Neill, E.A, Schmatz, D.M, Schwartz, C.D, Thompson, C.M, Zaller, D.M, Doherty, J.B.
Deposit date:2002-07-22
Release date:2002-12-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design and synthesis of potent, orally bioavailable dihydroquinazolinone inhibitors of p38 MAP kinase.
Bioorg.Med.Chem.Lett., 13, 2003
6OUG
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BU of 6oug by Molmil
Structure of drug-resistant V27A mutant of the influenza M2 proton channel bound to spiroadamantyl amine inhibitor, TM + cytosolic helix construct
Descriptor: (1r,1'S,3'S,5'S,7'S)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine, Matrix protein 2
Authors:Thomaston, J.L, Liu, L, DeGrado, W.F.
Deposit date:2019-05-04
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:X-ray Crystal Structures of the Influenza M2 Proton Channel Drug-Resistant V27A Mutant Bound to a Spiro-Adamantyl Amine Inhibitor Reveal the Mechanism of Adamantane Resistance.
Biochemistry, 59, 2020
8E61
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BU of 8e61 by Molmil
Crystal structure of SARS-CoV-2 3CL protease in complex with a m-chlorophenyl dimethyl sulfane inhibitor
Descriptor: (1R,2S)-2-{[N-({2-[(3-chlorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({2-[(3-chlorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ...
Authors:Lovell, S, Liu, L, Battaile, K.P, Madden, T.K, Groutas, W.C.
Deposit date:2022-08-22
Release date:2022-09-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV).
Eur.J.Med.Chem., 254, 2023
5WLJ
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BU of 5wlj by Molmil
De Novo Design of Polynuclear Transition Metal Clusters in Helix Bundles-4EH1
Descriptor: De Novo Metal Binding Helical Bundle, ZINC ION
Authors:Zhang, S.-Q, Liu, L, DeGrado, W.F.
Deposit date:2017-07-27
Release date:2018-01-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:De Novo Design of Tetranuclear Transition Metal Clusters Stabilized by Hydrogen-Bonded Networks in Helical Bundles.
J. Am. Chem. Soc., 140, 2018
5WLM
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BU of 5wlm by Molmil
De Novo Design of Polynuclear Transition Metal Clusters in Helix Bundles-4DH2
Descriptor: Helical Bundle 4DH2, ZINC ION
Authors:Zhang, S.-Q, Liu, L, DeGrado, W.F.
Deposit date:2017-07-27
Release date:2018-01-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:De Novo Design of Tetranuclear Transition Metal Clusters Stabilized by Hydrogen-Bonded Networks in Helical Bundles.
J. Am. Chem. Soc., 140, 2018
5WLK
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BU of 5wlk by Molmil
De Novo Design of Polynuclear Transition Metal Clusters in Helix Bundles-4EH2
Descriptor: Helical Bundle 4EH2, ZINC ION
Authors:Zhang, S.-Q, Liu, L, DeGrado, W.F.
Deposit date:2017-07-27
Release date:2018-01-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:De Novo Design of Tetranuclear Transition Metal Clusters Stabilized by Hydrogen-Bonded Networks in Helical Bundles.
J. Am. Chem. Soc., 140, 2018
8IQ6
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BU of 8iq6 by Molmil
Cryo-EM structure of Latanoprost-bound prostaglandin-F2-alpha receptor-miniGq-Nb35 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(s) subunit alpha isoforms short, ...
Authors:Lv, X, Gao, K, Nie, J, Zhang, X, Zhang, S, Ren, Y, Li, Q, Huang, J, Liu, L, Zhang, X, Sun, X, Zhang, W, Liu, X.
Deposit date:2023-03-15
Release date:2024-01-31
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structures of human prostaglandin F 2 alpha receptor reveal the mechanism of ligand and G protein selectivity.
Nat Commun, 14, 2023
8IQ4
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BU of 8iq4 by Molmil
Cryo-EM structure of Carboprost-bound prostaglandin-F2-alpha receptor-miniGq-Nb35 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(s) subunit alpha isoforms short, ...
Authors:Lv, X, Gao, K, Nie, J, Zhang, X, Zhang, S, Ren, Y, Li, Q, Huang, J, Liu, L, Zhang, X, Sun, X, Zhang, W, Liu, X.
Deposit date:2023-03-15
Release date:2024-01-31
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structures of human prostaglandin F 2 alpha receptor reveal the mechanism of ligand and G protein selectivity.
Nat Commun, 14, 2023
9BTS
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BU of 9bts by Molmil
Crystal structure of the bacterioferritin (Bfr) and ferritin (Ftn) heterooligomer complex from Acinetobacter baumannii
Descriptor: Bacterioferritin (Bfr), Ferritin (Ftn), PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Lovell, S, Liu, L, Battaile, K.P, Rivera, M.
Deposit date:2024-05-15
Release date:2024-08-14
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The crystal structure of Acinetobacter baumannii bacterioferritin reveals a heteropolymer of bacterioferritin and ferritin subunits.
Sci Rep, 14, 2024
8U5O
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BU of 8u5o by Molmil
The structure of the catalytic domain of NanI sialdase in complex with Neu5Gc
Descriptor: CALCIUM ION, Exo-alpha-sialidase, N-glycolyl-alpha-neuraminic acid, ...
Authors:Medley, B.J, Low, K.E, Garber, J.M, Gray, T.E, Liu, L, Klassen, L, Fordwour, O.B, Inglis, G.D, Boons, G.J, Zandberg, W.F, Abbott, W.D, Boraston, A.B.
Deposit date:2023-09-12
Release date:2024-09-04
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A "terminal" case of glycan catabolism: structural and enzymatic characterization of the sialidases of Clostridium perfringens.
J.Biol.Chem., 2024
6P5S
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BU of 6p5s by Molmil
HIPK2 kinase domain bound to CX-4945
Descriptor: 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Homeodomain-interacting protein kinase 2
Authors:Agnew, C, Liu, L, Jura, N.
Deposit date:2019-05-30
Release date:2019-07-31
Last modified:2019-09-25
Method:X-RAY DIFFRACTION (2.194 Å)
Cite:The crystal structure of the protein kinase HIPK2 reveals a unique architecture of its CMGC-insert region.
J.Biol.Chem., 294, 2019
9IPU
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BU of 9ipu by Molmil
cryo-EM structure of the RNF168(1-193)/UbcH5c-Ub ubiquitylation module bound to H1.0-K63-Ub3 modified chromatosome
Descriptor: DNA (171-MER), E3 ubiquitin-protein ligase RNF168, Histone H1.0, ...
Authors:Ai, H.S, Deng, Z.H, Liu, L.
Deposit date:2024-07-11
Release date:2024-10-02
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Chemically and Site-specifically Ubiquitylated Linker Histone H1 Facilitates RNF168-Mediated Nucleosomal H2A Ubiquitylation
To Be Published
4R99
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BU of 4r99 by Molmil
Crystal structure of a uricase from Bacillus fastidious
Descriptor: SULFATE ION, Uricase
Authors:Feng, J, Wang, L, Liu, H.B, Liu, L, Liao, F.
Deposit date:2014-09-03
Release date:2015-05-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Bacillus fastidious uricase reveals an unexpected folding of the C-terminus residues crucial for thermostability under physiological conditions.
Appl.Microbiol.Biotechnol., 99, 2015
4R8X
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BU of 4r8x by Molmil
Crystal structure of a uricase from Bacillus fastidious
Descriptor: Uricase
Authors:Feng, J, Wang, L, Liu, H.B, Liu, L, Liao, F.
Deposit date:2014-09-03
Release date:2015-05-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:Crystal structure of Bacillus fastidious uricase reveals an unexpected folding of the C-terminus residues crucial for thermostability under physiological conditions.
Appl.Microbiol.Biotechnol., 99, 2015
8ZKC
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BU of 8zkc by Molmil
iron-sulfur cluster transfer protein ApbC
Descriptor: GLYCEROL, Iron-sulfur cluster carrier protein, MAGNESIUM ION
Authors:Yang, J, Liu, L.
Deposit date:2024-05-16
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal structure of the iron-sulfur cluster transfer protein ApbC from Escherichia coli.
Biochem.Biophys.Res.Commun., 722, 2024
8AZU
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BU of 8azu by Molmil
Paired helical tau filaments from high-spin supernatants of aqueous extracts from Alzheimer's disease brains | PHF Tau
Descriptor: Microtubule-associated protein tau
Authors:Yang, Y, Stern, M.A, Meunier, L.A, Liu, W, Cai, Y.Q, Ericsson, M, Liu, L, Selkoe, J.D, Goedert, M, Scheres, H.W.S.
Deposit date:2022-09-06
Release date:2023-05-24
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Abundant A beta fibrils in ultracentrifugal supernatants of aqueous extracts from Alzheimer's disease brains.
Neuron, 111, 2023
7XD7
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BU of 7xd7 by Molmil
The pre-Tet-C state of wild-type Tetrahymena group I intron with 30nt 3'/5'-exon
Descriptor: MAGNESIUM ION, SPERMIDINE, The pre-Tet-C state molecule of co-transcriptional folded wild-type Tetrahymena group I intron with 30nt 3'/5'-exon
Authors:Luo, B, Zhang, C, Ling, X, Mukherjee, S, Jia, G, Xie, J, Jia, X, Liu, L, Baulin, E.F, Luo, Y, Jiang, L, Dong, H, Wei, X, Bujnicki, J.M, Su, Z.
Deposit date:2022-03-26
Release date:2023-03-29
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:Cryo-EM reveals dynamics of Tetrahymena group I intron self-splicing
Nat Catal, 2023
7XD3
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BU of 7xd3 by Molmil
The relaxed pre-Tet-S1 state of wild-type Tetrahymena group I intron with 6nt 3'/5'-exon
Descriptor: MAGNESIUM ION, The relaxed pre-Tet-S1 state molecule of co-transcriptional folded wild-type Tetrahymena group I intron with 6nt 3'/5'-exon
Authors:Luo, B, Zhang, C, Ling, X, Mukherjee, S, Jia, G, Xie, J, Jia, X, Liu, L, Baulin, E.F, Luo, Y, Jiang, L, Dong, H, Wei, X, Bujnicki, J.M, Su, Z.
Deposit date:2022-03-26
Release date:2023-03-29
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (4.05 Å)
Cite:Cryo-EM reveals dynamics of Tetrahymena group I intron self-splicing
Nat Catal, 2023
7XD4
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BU of 7xd4 by Molmil
The intermediate pre-Tet-S1 state of wild-type Tetrahymena group I intron with 6nt 3'/5'-exon
Descriptor: Co-transcriptional folded wild-type Tetrahymena group I intron with 6nt 3'/5'-exon, MAGNESIUM ION
Authors:Luo, B, Zhang, C, Ling, X, Mukherjee, S, Jia, G, Xie, J, Jia, X, Liu, L, Baulin, E.F, Luo, Y, Jiang, L, Dong, H, Wei, X, Bujnicki, J.M, Su, Z.
Deposit date:2022-03-26
Release date:2023-03-29
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.89 Å)
Cite:Cryo-EM reveals dynamics of Tetrahymena group I intron self-splicing
Nat Catal, 2023
7XD5
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BU of 7xd5 by Molmil
The Tet-S2 state of wild-type Tetrahymena group I intron with 30nt 3'/5'-exon
Descriptor: MAGNESIUM ION, SPERMIDINE, The Tet-S2 state molecule of co-transcriptional folded wild-type Tetrahymena group I intron with 30nt 3'/5'-exon (5'-exon), ...
Authors:Luo, B, Zhang, C, Ling, X, Mukherjee, S, Jia, G, Xie, J, Jia, X, Liu, L, Baulin, E.F, Luo, Y, Jiang, L, Dong, H, Wei, X, Bujnicki, J.M, Su, Z.
Deposit date:2022-03-26
Release date:2023-04-05
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Cryo-EM reveals dynamics of Tetrahymena group I intron self-splicing
Nat Catal, 2023
7XD6
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BU of 7xd6 by Molmil
The Tet-S2 state with a pseudoknotted 4-way junction of wild-type Tetrahymena group I intron with 30nt 3'/5'-exon
Descriptor: MAGNESIUM ION, SPERMIDINE, The Tet-S2 state with a pseudoknotted 4-way junction molecule of co-transcriptional folded wild-type Tetrahymena group I intron with 30nt 3'/5'-exon (5'-exon), ...
Authors:Luo, B, Zhang, C, Ling, X, Mukherjee, S, Jia, G, Xie, J, Jia, X, Liu, L, Baulin, E.F, Luo, Y, Jiang, L, Dong, H, Wei, X, Bujnicki, J.M, Su, Z.
Deposit date:2022-03-26
Release date:2023-04-05
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Cryo-EM reveals dynamics of Tetrahymena group I intron self-splicing
Nat Catal, 2023

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