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5IQS
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BU of 5iqs by Molmil
WelO5 bound to Fe(II), Cl, and 2-oxoglutarate
Descriptor: 2-OXOGLUTARIC ACID, CHLORIDE ION, FE (II) ION, ...
Authors:Mitchell, A.J, Ananth, N, Boal, A.K.
Deposit date:2016-03-11
Release date:2016-06-29
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for halogenation by iron- and 2-oxo-glutarate-dependent enzyme WelO5.
Nat.Chem.Biol., 12, 2016
7F9W
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BU of 7f9w by Molmil
CD25 in complex with Fab
Descriptor: Heavy chain of Fab, Interleukin-2 receptor subunit alpha, Light chain of Fab
Authors:Liu, C.
Deposit date:2021-07-05
Release date:2022-01-12
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Two novel human anti-CD25 antibodies with antitumor activity inversely related to their affinity and in vitro activity.
Sci Rep, 11, 2021
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
5JYC
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BU of 5jyc by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted 14,15-EET hydrolysis intermediate
Descriptor: (5~{Z},11~{Z},14~{R},15~{R})-14,15-bis(oxidanyl)icosa-5,8,11-trienoic acid, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-05-13
Release date:2017-01-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Pseudomonas aeruginosa sabotages the generation of host proresolving lipid mediators.
Proc. Natl. Acad. Sci. U.S.A., 114, 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
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
5IQV
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BU of 5iqv by Molmil
WelO5 bound to Fe, Cl, 2-oxoglutarate, 12-epifischerindole U, and nitric oxide
Descriptor: (6aS,9R,10R,10aS)-9-ethyl-10-isocyano-6,6,9-trimethyl-5,6,6a,7,8,9,10,10a-octahydroindeno[2,1-b]indole, 2-OXOGLUTARIC ACID, CHLORIDE ION, ...
Authors:Mitchell, A.J, Boal, A.K.
Deposit date:2016-03-11
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for halogenation by iron- and 2-oxo-glutarate-dependent enzyme WelO5.
Nat.Chem.Biol., 12, 2016
5I0I
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BU of 5i0i by Molmil
Crystal structure of myosin X motor domain with 2IQ motifs in pre-powerstroke state
Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, Calmodulin, ...
Authors:Isabet, T, Sweeney, H.L, Houdusse, A.
Deposit date:2016-02-04
Release date:2016-09-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:The myosin X motor is optimized for movement on actin bundles.
Nat Commun, 7, 2016
5L6N
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BU of 5l6n by Molmil
Disulfated madanin-thrombin complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Prothrombin, SODIUM ION, ...
Authors:Ripoll-Rozada, J, Pereira, P.J.B.
Deposit date:2016-05-30
Release date:2017-03-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.627 Å)
Cite:Tyrosine sulfation modulates activity of tick-derived thrombin inhibitors.
Nat Chem, 9, 2017
6LLX
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BU of 6llx by Molmil
Discovery of A Dual Inhibitor of NQO1 and GSTP1 for Treating Malignant Glioblastoma
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, Glutathione S-transferase P
Authors:Ye, K, Li, H, Lei, K.C.
Deposit date:2019-12-24
Release date:2020-11-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.581 Å)
Cite:Discovery of a dual inhibitor of NQO1 and GSTP1 for treating glioblastoma.
J Hematol Oncol, 13, 2020
6LLC
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BU of 6llc by Molmil
Discovery of A Dual Inhibitor of NQO1 and GSTP1 for Treating Malignant Glioblastoma
Descriptor: 5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1, ...
Authors:Ye, K, Li, H.
Deposit date:2019-12-23
Release date:2020-11-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Discovery of a dual inhibitor of NQO1 and GSTP1 for treating glioblastoma.
J Hematol Oncol, 13, 2020
5Y0I
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BU of 5y0i by Molmil
Solution structure of arenicin-3 derivative N1
Descriptor: NZ17074(N1)
Authors:Liu, X.H, Wang, J.H.
Deposit date:2017-07-17
Release date:2017-07-26
Method:SOLUTION NMR
Cite:Antibacterial and detoxifying activity of NZ17074 analogues with multi-layers of selective antimicrobial actions against Escherichia coli and Salmonella enteritidis
Sci Rep, 7, 2017
8HBK
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BU of 8hbk by Molmil
The crystal structure of SARS-CoV-2 3CL protease in complex with Ensitrelvir
Descriptor: 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
Authors:Lin, M.
Deposit date:2022-10-29
Release date:2023-10-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
5Y0H
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BU of 5y0h by Molmil
Solution structure of arenicin-3 derivative N6
Descriptor: N6
Authors:Liu, X.H, Wang, J.H.
Deposit date:2017-07-17
Release date:2017-07-26
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Antibacterial and detoxifying activity of NZ17074 analogues with multi-layers of selective antimicrobial actions against Escherichia coli and Salmonella enteritidis
Sci Rep, 7, 2017
5Y0J
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BU of 5y0j by Molmil
Solution structure of arenicin-3 derivative N2
Descriptor: N2
Authors:Liu, X.H, Wang, J.H.
Deposit date:2017-07-17
Release date:2017-07-26
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Antibacterial and detoxifying activity of NZ17074 analogues with multi-layers of selective antimicrobial actions against Escherichia coli and Salmonella enteritidis
Sci Rep, 7, 2017
3RFU
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BU of 3rfu by Molmil
Crystal structure of a copper-transporting PIB-type ATPase
Descriptor: Copper efflux ATPase, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Gourdon, P, Liu, X, Skjorringe, T, Morth, J.P, Birk Moller, L, Panyella Pedersen, B, Nissen, P.
Deposit date:2011-04-07
Release date:2011-06-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of a copper-transporting PIB-type ATPase.
Nature, 475, 2011
7XUX
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BU of 7xux by Molmil
Crystal structure of a FIC domain containnig protein
Descriptor: Fido domain-containing protein
Authors:Zhen, X, Ouyang, S.
Deposit date:2022-05-20
Release date:2022-12-21
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:A secreted effector with a dual role as a toxin and as a transcriptional factor.
Nat Commun, 13, 2022
7YEU
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BU of 7yeu by Molmil
Superfolder green fluorescent protein with phosphine unnatural amino acid P3BF
Descriptor: Superfolder green fluorescent protein
Authors:Hu, C, Duan, H.Z, Liu, X.H, Chen, Y.X, Wang, J.Y.
Deposit date:2022-07-06
Release date:2023-07-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Genetically Encoded Phosphine Ligand for Metalloprotein Design.
J.Am.Chem.Soc., 144, 2022
7ZRB
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BU of 7zrb by Molmil
Crystal structure of Beta-catenin Armadillo repeats domain in complex with the inhibitor RS6452
Descriptor: 4-bromanyl-~{N}-(3-pyridin-2-ylphenyl)benzenesulfonamide, Catenin beta-1
Authors:Capelli, D, Pochetti, G, Montanari, R.
Deposit date:2022-05-04
Release date:2023-05-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.434 Å)
Cite:Novel N -(Heterocyclylphenyl)benzensulfonamide Sharing an Unreported Binding Site with T-Cell Factor 4 at the beta-Catenin Armadillo Repeats Domain as an Anticancer Agent.
Acs Pharmacol Transl Sci, 6, 2023
7D72
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BU of 7d72 by Molmil
Cryo-EM structures of human GMPPA/GMPPB complex bound to GDP-Mannose
Descriptor: GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, MAGNESIUM ION, Mannose-1-phosphate guanyltransferase alpha, ...
Authors:Zheng, L, Liu, Z, Wang, Y, Yang, F, Wang, J, Qing, J, Cai, X, Mo, X, Gao, N, Jia, D.
Deposit date:2020-10-02
Release date:2021-05-05
Last modified:2021-06-02
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM structures of human GMPPA-GMPPB complex reveal how cells maintain GDP-mannose homeostasis.
Nat.Struct.Mol.Biol., 28, 2021
7D73
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BU of 7d73 by Molmil
Cryo-EM structure of GMPPA/GMPPB complex bound to GTP (State I)
Descriptor: GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, GUANOSINE-5'-TRIPHOSPHATE, Mannose-1-phosphate guanyltransferase alpha, ...
Authors:Zheng, L, Liu, Z, Wang, Y, Yang, F, Wang, J, Qing, J, Cai, X, Mo, X, Gao, N, Jia, D.
Deposit date:2020-10-02
Release date:2021-05-05
Last modified:2021-12-01
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryo-EM structures of human GMPPA-GMPPB complex reveal how cells maintain GDP-mannose homeostasis.
Nat.Struct.Mol.Biol., 28, 2021
7D74
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BU of 7d74 by Molmil
Cryo-EM structure of GMPPA/GMPPB complex bound to GTP (state II)
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, Mannose-1-phosphate guanyltransferase alpha, Mannose-1-phosphate guanyltransferase beta
Authors:Zheng, L, Liu, Z, Wang, Y, Yang, F, Wang, J, Qing, J, cai, X, Mo, X, Gao, N, Jia, D.
Deposit date:2020-10-02
Release date:2021-05-19
Last modified:2021-12-01
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structures of human GMPPA-GMPPB complex reveal how cells maintain GDP-mannose homeostasis.
Nat.Struct.Mol.Biol., 28, 2021
6JUI
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BU of 6jui by Molmil
The atypical Myb-like protein Cdc5 contains two distinct nucleic acid-binding surfaces
Descriptor: Pre-mRNA-splicing factor CEF1
Authors:Wang, C, Li, G, Li, M, Yang, J, Liu, J.
Deposit date:2019-04-14
Release date:2020-02-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:Two distinct nucleic acid binding surfaces of Cdc5 regulate development.
Biochem.J., 476, 2019
7XR5
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BU of 7xr5 by Molmil
Crystal structure of imine reductase with NAPDH from Streptomyces albidoflavus
Descriptor: 3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57-nonadecaoxanonapentacontane-1,59-diol, 6-phosphogluconate dehydrogenase NAD-binding, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhang, J, Chen, R.C, Gao, S.S.
Deposit date:2022-05-09
Release date:2022-10-19
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Actinomycetes-derived imine reductases with a preference towards bulky amine substrates.
Commun Chem, 5, 2022

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