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5X3H
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BU of 5x3h by Molmil
The Y81G mutant of the UNG crystal structure from Nitratifractor salsuginis
Descriptor: Uracil-DNA glycosylase
Authors:Xie, W, Chen, R, Cao, W, Zhang, Z.
Deposit date:2017-02-06
Release date:2017-10-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An unconventional family 1 uracil DNA glycosylase in Nitratifractor salsuginis.
FEBS J., 284, 2017
7VUL
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BU of 7vul by Molmil
Structure of Klebsiella Phage P560 depolymerase
Descriptor: Non-contractile tail fiber protein, SULFATE ION
Authors:Li, M, Chen, R, Zhang, S, Zhang, W.
Deposit date:2021-11-02
Release date:2022-11-16
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Structure of Klebsiella Phage P560 depolymerase
To Be Published
7WNW
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BU of 7wnw by Molmil
Crystal structure of Imine Reductase Mutant(M5) from Actinoalloteichus hymeniacidonis in complex with NADPH
Descriptor: 3-hydroxyisobutyrate dehydrogenase-like beta-hydroxyacid dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhand, J, Chen, R, Gao, S.
Deposit date:2022-01-19
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Tuning an Imine Reductase for the Asymmetric Synthesis of Azacycloalkylamines by Concise Structure-Guided Engineering.
Angew.Chem.Int.Ed.Engl., 61, 2022
7WNN
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BU of 7wnn by Molmil
Crystal structure of Imine Reductase from Actinoalloteichus hymeniacidonis in complex with NADPH
Descriptor: 3-hydroxyisobutyrate dehydrogenase-like beta-hydroxyacid dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhang, J, Chen, R, Gao, S.
Deposit date:2022-01-19
Release date:2022-04-06
Last modified:2022-06-08
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Tuning an Imine Reductase for the Asymmetric Synthesis of Azacycloalkylamines by Concise Structure-Guided Engineering.
Angew.Chem.Int.Ed.Engl., 61, 2022
5KCQ
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BU of 5kcq by Molmil
Crystal structure of the aromatic prenyltransferase AtaPT from Aspergillus terreus A8-4 in complex with geranyl S-thiolodiphosphate
Descriptor: GERANYL S-THIOLODIPHOSPHATE, aromatic prenyltransferase
Authors:Sun, F, Gao, B.
Deposit date:2016-06-06
Release date:2016-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular insights into the enzyme promiscuity of an aromatic prenyltransferase.
Nat. Chem. Biol., 13, 2017
5KDA
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BU of 5kda by Molmil
Crystal structure of the aromatic prenyltransferase AtaPT from Aspergillus terreus A8-4 in complex with dimethylallyl S-thiolodiphosphate and genistein
Descriptor: DIMETHYLALLYL S-THIOLODIPHOSPHATE, GENISTEIN, aromatic prenyltransferase
Authors:Sun, F, Gao, B.
Deposit date:2016-06-07
Release date:2016-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular insights into the enzyme promiscuity of an aromatic prenyltransferase.
Nat. Chem. Biol., 13, 2017
5KCL
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BU of 5kcl by Molmil
Crystal structure of the aromatic prenyltransferase AtaPT from Aspergillus terreus A8-4 in complex with dimethylallyl S-thiolodiphosphate
Descriptor: DIMETHYLALLYL S-THIOLODIPHOSPHATE, aromatic prenyltransferase
Authors:Sun, F, Gao, B.
Deposit date:2016-06-06
Release date:2016-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular insights into the enzyme promiscuity of an aromatic prenyltransferase.
Nat. Chem. Biol., 13, 2017
5KD0
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BU of 5kd0 by Molmil
Crystal structure of the aromatic prenyltransferase AtaPT(E91A) mutant from Aspergillus terreus A8-4 in complex with geranyl S-thiolodiphosphate and (+)-butyrolactone II
Descriptor: GERANYL S-THIOLODIPHOSPHATE, aromatic prenyltransferase, methyl (2~{R})-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylate
Authors:Sun, F, Gao, B.
Deposit date:2016-06-07
Release date:2016-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Molecular insights into the enzyme promiscuity of an aromatic prenyltransferase.
Nat. Chem. Biol., 13, 2017
5KCY
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BU of 5kcy by Molmil
Crystal structure of the aromatic prenyltransferase AtaPT from Aspergillus terreus A8-4 in complex with geranyl S-thiolodiphosphate and (+)-butyrolactone II
Descriptor: GERANYL S-THIOLODIPHOSPHATE, aromatic prenyltransferase, methyl (2~{R})-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylate
Authors:Sun, F, Gao, B.
Deposit date:2016-06-07
Release date:2016-12-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular insights into the enzyme promiscuity of an aromatic prenyltransferase.
Nat. Chem. Biol., 13, 2017
5KD6
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BU of 5kd6 by Molmil
Crystal structure of the aromatic prenyltransferase AtaPT from Aspergillus terreus A8-4 in complex with dimethylallyl S-thiolodiphosphate and (-)-butyrolactone II
Descriptor: DIMETHYLALLYL S-THIOLODIPHOSPHATE, aromatic prenyltransferase, methyl (2S)-4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxo-2,5-dihydrofuran-2-carboxylate
Authors:Sun, F, Gao, B.
Deposit date:2016-06-07
Release date:2016-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Molecular insights into the enzyme promiscuity of an aromatic prenyltransferase.
Nat. Chem. Biol., 13, 2017
5KCG
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BU of 5kcg by Molmil
Crystal structure of the aromatic prenyltransferase AtaPT (apo state) from Aspergillus terreus A8-4
Descriptor: aromatic prenyltransferase
Authors:Sun, F, Gao, B.
Deposit date:2016-06-06
Release date:2016-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular insights into the enzyme promiscuity of an aromatic prenyltransferase.
Nat. Chem. Biol., 13, 2017
1GRO
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BU of 1gro by Molmil
REGULATORY AND CATALYTIC MECHANISMS IN ESCHERICHIA COLI ISOCITRATE DEHYDROGENASE: MULTIPLE ROLES FOR N115
Descriptor: ISOCITRATE DEHYDROGENASE, ISOCITRIC ACID, MAGNESIUM ION
Authors:Grobler, J.A, Hurley, J.H.
Deposit date:1995-10-12
Release date:1996-04-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Second-site suppression of regulatory phosphorylation in Escherichia coli isocitrate dehydrogenase.
Protein Sci., 5, 1996
1GRP
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BU of 1grp by Molmil
REGULATORY AND CATALYTIC MECHANISMS IN ESCHERICHIA COLI ISOCITRATE DEHYDROGENASE: MULTIPLE ROLES FOR N115
Descriptor: ISOCITRATE DEHYDROGENASE, ISOCITRIC ACID, MAGNESIUM ION
Authors:Grobler, J.A, Hurley, J.H.
Deposit date:1995-10-12
Release date:1996-04-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Second-site suppression of regulatory phosphorylation in Escherichia coli isocitrate dehydrogenase.
Protein Sci., 5, 1996
8JT3
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BU of 8jt3 by Molmil
Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in complex with amino donor L-Arg
Descriptor: (E)-N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-arginine, ACETATE ION, CrmG, ...
Authors:Su, K, Zhang, Y, Xu, J, Liu, J.
Deposit date:2023-06-21
Release date:2023-08-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Co-crystal structure provides insights on transaminase CrmG recognition amino donor L-Arg.
Biochem.Biophys.Res.Commun., 675, 2023
7WUA
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BU of 7wua by Molmil
Crystal structures of FadD32 from Corynebacterium diphtheriae
Descriptor: Acyl-CoA synthase, MAGNESIUM ION, MYRISTIC ACID, ...
Authors:Liu, X.
Deposit date:2022-02-07
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Crystal structures of FadD32 and pks13-ACP domain from Corynebacterium diphtheriae
Biochem Biophys Res Commun, 590, 2022
7WRP
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BU of 7wrp by Molmil
Crystal Structure of pks13-ACP domain from Corynebacterium diphtheriae
Descriptor: 4'-PHOSPHOPANTETHEINE, Polyketide synthase involved in mycolic acid biosynthesis
Authors:Liu, X.
Deposit date:2022-01-27
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.794 Å)
Cite:Crystal structures of FadD32 and pks13-ACP domain from Corynebacterium diphtheriae.
Biochem.Biophys.Res.Commun., 590, 2022
4UTF
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BU of 4utf by Molmil
Structure of the GH99 endo-alpha-mannosidase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-isofagomine and alpha- 1,2-mannobiose
Descriptor: 1,2-ETHANEDIOL, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, GLYCOSYL HYDROLASE FAMILY 71, ...
Authors:Cuskin, F, Lowe, E.C, Temple, M.J, Zhu, Y, Pudlo, N.A, Cameron, E.A, Urs, K, Thompson, A.J, Cartmell, A, Rogowski, A, Tolbert, T, Piens, K, Bracke, D, Vervecken, W, Hakki, Z, Speciale, G, Munoz-Munoz, J.L, Pena, M.J, McLean, R, Suits, M.D, Boraston, A.B, Atherly, T, Ziemer, C.J, Williams, S.J, Davies, G.J, Abbott, D.W, Martens, E.C, Gilbert, H.J.
Deposit date:2014-07-21
Release date:2014-12-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Human Gut Bacteroidetes Can Utilize Yeast Mannan Through a Selfish Mechanism.
Nature, 517, 2015
8WGV
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BU of 8wgv by Molmil
BA.2(S375) Spike (S6P)/hACE2 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Wei, X, Zhang, Z.
Deposit date:2023-09-22
Release date:2024-02-28
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:The receptor binding domain of SARS-CoV-2 Omicron subvariants targets Siglec-9 to decrease its immunogenicity by preventing macrophage phagocytosis.
Nat.Immunol., 25, 2024
8WGW
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BU of 8wgw by Molmil
Local refinement of RBD-ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Wei, X, Zhang, Z.
Deposit date:2023-09-22
Release date:2024-02-28
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:The receptor binding domain of SARS-CoV-2 Omicron subvariants targets Siglec-9 to decrease its immunogenicity by preventing macrophage phagocytosis.
Nat.Immunol., 25, 2024
6CDM
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BU of 6cdm by Molmil
Structure of vaccine-elicited HIV-1 neutralizing antibody vFP7.04 in complex with HIV-1 fusion peptide residue 512-519
Descriptor: HIV fusion peptide (512-519), vFP7.04 heavy chain, vFP7.04 light chain
Authors:Xu, K, Liu, K, Kwong, P.D.
Deposit date:2018-02-08
Release date:2018-05-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.408 Å)
Cite:Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
6CDI
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BU of 6cdi by Molmil
Cryo-EM structure at 3.6 A resolution of vaccine-elicited antibody vFP16.02 in complex with HIV-1 Env BG505 DS-SOSIP, and antibodies VRC03 and PGT122
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein 120, ...
Authors:Acharya, P, Xu, K, Liu, K, Carragher, B, Potter, C.S, Kwong, P.D.
Deposit date:2018-02-08
Release date:2018-05-16
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
6CDE
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BU of 6cde by Molmil
Cryo-EM structure at 3.8 A resolution of vaccine-elicited antibody vFP20.01 in complex with HIV-1 Env BG505 DS-SOSIP, and antibodies VRC03 and PGT122
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein 120, ...
Authors:Acharya, P, Xu, K, Liu, K, Carragher, B, Potter, C.S, Kwong, P.D.
Deposit date:2018-02-08
Release date:2018-05-16
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
6CDO
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BU of 6cdo by Molmil
Structure of vaccine-elicited HIV-1 neutralizing antibody vFP16.02 in complex with HIV-1 fusion peptide residue 512-519
Descriptor: HIV-1 fusion peptide 512-519, SULFATE ION, vFP16.02 Fab heavy chain, ...
Authors:Xu, K, Liu, K, Kwong, P.D.
Deposit date:2018-02-08
Release date:2018-05-16
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
6CDP
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BU of 6cdp by Molmil
Vaccine-elicited HIV-1 neutralizing antibody vFP20.01 in complex with HIV-1 fusion peptide residue 512-519
Descriptor: HIV-1 fusion peptide 512-519, SULFATE ION, vFP20.01 Fab heavy chain, ...
Authors:Xu, K, Liu, K, Kwong, P.D.
Deposit date:2018-02-08
Release date:2018-05-16
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (2.456 Å)
Cite:Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
8SWE
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BU of 8swe by Molmil
FGFR2 Kinase Domain Bound to Reversible Inhibitor Cmpd 3
Descriptor: Fibroblast growth factor receptor 2, GLUTATHIONE, GLYCEROL, ...
Authors:Valverde, R, Foster, L.
Deposit date:2023-05-18
Release date:2024-02-14
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Discovery of lirafugratinib (RLY-4008), a highly selective irreversible small-molecule inhibitor of FGFR2.
Proc.Natl.Acad.Sci.USA, 121, 2024

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