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7E2U
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BU of 7e2u by Molmil
Synechocystis GUN4 in complex with phytochrome
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[5-[(~{Z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[(~{Z})-[5-[(~{Z})-[(4~{R})-3-ethyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, CHLORIDE ION, ...
Authors:Liu, L, Hu, J.
Deposit date:2021-02-07
Release date:2021-08-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis of bilin binding by the chlorophyll biosynthesis regulator GUN4.
Protein Sci., 30, 2021
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
7YH8
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BU of 7yh8 by Molmil
Crystal structure of a heterochiral protein complex
Descriptor: D-Pep-1, L-19437
Authors:Liang, M, Li, S, Wang, T, Liu, L, Lu, P.
Deposit date:2022-07-13
Release date:2023-07-19
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a heterochiral protein complex
To Be Published
6D02
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BU of 6d02 by Molmil
Cross-alpha Amyloid-like Structure alphaAmL, 2nd form
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CARBONATE ION, PHOSPHATE ION, ...
Authors:Zhang, S.-Q, Liu, L, Degrado, W.F.
Deposit date:2018-04-10
Release date:2019-02-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Designed peptides that assemble into cross-alpha amyloid-like structures.
Nat. Chem. Biol., 14, 2018
1YFK
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BU of 1yfk by Molmil
Crystal structure of human B type phosphoglycerate mutase
Descriptor: CHLORIDE ION, CITRIC ACID, Phosphoglycerate mutase 1
Authors:Wang, Y, Wei, Z, Liu, L, Gong, W.
Deposit date:2005-01-02
Release date:2005-05-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of human B-type phosphoglycerate mutase bound with citrate.
Biochem.Biophys.Res.Commun., 331, 2005
1YJX
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BU of 1yjx by Molmil
Crystal structure of human B type phosphoglycerate mutase
Descriptor: CHLORIDE ION, CITRIC ACID, Phosphoglycerate mutase 1
Authors:Wang, Y, Wei, Z, Liu, L, Gong, W.
Deposit date:2005-01-16
Release date:2005-05-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of human B-type phosphoglycerate mutase bound with citrate.
Biochem.Biophys.Res.Commun., 331, 2005
5WLL
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BU of 5wll by Molmil
De Novo Design of Polynuclear Transition Metal Clusters in Helix Bundles-4DH1
Descriptor: GLYCEROL, Helical Bundle 4DH1, ZINC ION
Authors:Zhang, S.-Q, Liu, L, DeGrado, W.F.
Deposit date:2017-07-27
Release date:2018-01-03
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:De Novo Design of Tetranuclear Transition Metal Clusters Stabilized by Hydrogen-Bonded Networks in Helical Bundles.
J. Am. Chem. Soc., 140, 2018
6NV1
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BU of 6nv1 by Molmil
Structure of drug-resistant V27A mutant of the influenza M2 proton channel bound to spiroadamantyl amine inhibitor
Descriptor: (1r,1'S,3'S,5'S,7'S)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, ...
Authors:Thomaston, J.L, Liu, L, DeGrado, W.F.
Deposit date:2019-02-04
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 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
8IEJ
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BU of 8iej by Molmil
RNF20-RNF40/hRad6A-Ub/nucleosome complex
Descriptor: DNA (147-MER), E3 ubiquitin-protein ligase BRE1A, E3 ubiquitin-protein ligase BRE1B, ...
Authors:Ai, H, Deng, Z, Sun, M, Du, Y, Pan, M, Liu, L.
Deposit date:2023-02-15
Release date:2023-09-06
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Mechanistic insights into nucleosomal H2B monoubiquitylation mediated by yeast Bre1-Rad6 and its human homolog RNF20/RNF40-hRAD6A.
Mol.Cell, 83, 2023
8I7N
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BU of 8i7n by Molmil
The Tet-S1 state of G264A mutated Tetrahymena group I intron with 6nt 3'/5'-exon and 2-aminopurine nucleoside
Descriptor: (2R,3R,4S,5R)-2-(2-azanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, MAGNESIUM ION, SPERMIDINE, ...
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:2023-02-01
Release date:2023-03-29
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Cryo-EM reveals dynamics of Tetrahymena group I intron self-splicing
Nat Catal, 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
8X7J
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BU of 8x7j by Molmil
Cryo-EM structures of RNF168/UbcH5c-Ub/nucleosomes complex determined by activity-based chemical trapping strategy
Descriptor: DNA (144-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ...
Authors:Ai, H.S, Tong, Z.B, Deng, Z.H, Pan, M, Liu, L.
Deposit date:2023-11-24
Release date:2024-08-07
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Capturing Snapshots of Nucleosomal H2A K13/K15 Ubiquitination Mediated by the Monomeric E3 Ligase RNF168
Biorxiv, 2024
8X7K
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BU of 8x7k by Molmil
Cryo-EM structures of RNF168/UbcH5c-Ub in complex with H2AK13Ub nucleosomes determined by activity-based chemical trapping strategy (adjacent H2AK13/15 dual-monoubiquitination)
Descriptor: DNA (143-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ...
Authors:Ai, H.S, Tong, Z.B, Deng, Z.H, Pan, M, Liu, L.
Deposit date:2023-11-24
Release date:2024-08-07
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:Capturing Snapshots of Nucleosomal H2A K13/K15 Ubiquitination Mediated by the Monomeric E3 Ligase RNF168
Biorxiv, 2024
8X7I
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BU of 8x7i by Molmil
Cryo-EM structures of RNF168/UbcH5c-Ub in complex with H2AK13Ub nucleosomes determined by intein-based E2-Ub-NCP conjugation strategy
Descriptor: DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ...
Authors:Ai, H.S, Tong, Z.B, Deng, Z.H, Pan, M, Liu, L.
Deposit date:2023-11-24
Release date:2024-08-07
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:Capturing Snapshots of Nucleosomal H2A K13/K15 Ubiquitination Mediated by the Monomeric E3 Ligase RNF168
Biorxiv, 2024
7T49
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BU of 7t49 by Molmil
Structure of SARS-CoV-2 3CL protease in complex with inhibitor 10c
Descriptor: (1R,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase
Authors:Lovell, S, Liu, L, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O.
Deposit date:2021-12-09
Release date:2021-12-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease.
J.Med.Chem., 65, 2022
7T40
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BU of 7t40 by Molmil
Structure of MERS 3CL protease in complex with inhibitor 10c
Descriptor: (1R,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ...
Authors:Lovell, S, Liu, L, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O.
Deposit date:2021-12-09
Release date:2021-12-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease.
J.Med.Chem., 65, 2022
7T4A
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BU of 7t4a by Molmil
Structure of SARS-CoV-2 3CL protease in complex with inhibitor 11c
Descriptor: (1R,2S)-2-[(N-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-[(N-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl)oxy]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, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O.
Deposit date:2021-12-09
Release date:2021-12-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease.
J.Med.Chem., 65, 2022
7T3Z
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BU of 7t3z by Molmil
Structure of MERS 3CL protease in complex with inhibitor 9c
Descriptor: (1R,2S)-2-{[N-({[(2r,4R)-7-acetyl-7-azaspiro[3.5]non-5-en-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, 3C-like proteinase
Authors:Lovell, S, Liu, L, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O.
Deposit date:2021-12-09
Release date:2021-12-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease.
J.Med.Chem., 65, 2022
7T48
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Structure of SARS-CoV-2 3CL protease in complex with inhibitor 9c
Descriptor: (1R,2S)-2-{[N-({[(2r,4R)-7-acetyl-7-azaspiro[3.5]non-5-en-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, 3C-like proteinase, ...
Authors:Lovell, S, Liu, L, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O.
Deposit date:2021-12-09
Release date:2021-12-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease.
J.Med.Chem., 65, 2022
7T3Y
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BU of 7t3y by Molmil
Structure of MERS 3CL protease in complex with inhibitor 8c
Descriptor: (1R,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase
Authors:Lovell, S, Liu, L, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O.
Deposit date:2021-12-09
Release date:2021-12-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease.
J.Med.Chem., 65, 2022
7T46
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Structure of SARS-CoV-2 3CL protease in complex with inhibitor 8c
Descriptor: (1R,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase
Authors:Lovell, S, Liu, L, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O.
Deposit date:2021-12-09
Release date:2021-12-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease.
J.Med.Chem., 65, 2022
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
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

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