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5SNW
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BU of 5snw by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z730649594
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SNE
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BU of 5sne by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z192955056
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SOA
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BU of 5soa by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1613492358
Descriptor: (2R)-4-(1H-pyrazol-1-yl)butan-2-ol, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SNU
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BU of 5snu by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2856434770
Descriptor: 1-(3-chlorophenyl)-N-methylmethanamine, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SO8
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BU of 5so8 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z85895198
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-(4-fluorobenzoyl)-N-methylglycine, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SN6
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BU of 5sn6 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2856434942
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SNN
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BU of 5snn by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1954800564
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 5-methoxy-1,3-benzothiazol-2-amine, DIMETHYL SULFOXIDE, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SO5
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BU of 5so5 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with JKH93B
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SO1
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BU of 5so1 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z30620520
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SOH
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BU of 5soh by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z31432226
Descriptor: (azepan-1-yl)(2H-1,3-benzodioxol-5-yl)methanone, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
1K4H
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BU of 1k4h by Molmil
CRYSTAL STRUCTURE OF TRNA-GUANINE TRANSGLYCOSYLASE (TGT) COMPLEXED WITH 2,6-Diamino-8-propylsulfanylmethyl-3H-quinazoline-4-one
Descriptor: 2,6-DIAMINO-8-PROPYLSULFANYLMETHYL-3H-QUINAZOLINE-4-ONE, TRNA-GUANINE-TRANSGLYCOSYLASE, ZINC ION
Authors:Brenk, R, Meyer, E.A, Castellano, R.K, Furler, M, Stubbs, M.T, Klebe, G, Diederich, F.
Deposit date:2001-10-08
Release date:2002-04-24
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:De novo design, synthesis, and in vitro evaluation of inhibitors for prokaryotic tRNA-guanine transglycosylase: a dramatic sulfur effect on binding affinity.
Chembiochem, 3, 2002
1K4G
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BU of 1k4g by Molmil
CRYSTAL STRUCTURE OF TRNA-GUANINE TRANSGLYCOSYLASE (TGT) COMPLEXED WITH 2,6-DIAMINO-8-(1H-IMIDAZOL-2-YLSULFANYLMETHYL)-3H-QUINAZOLINE-4-ONE
Descriptor: 2,6-DIAMINO-8-(1H-IMIDAZOL-2-YLSULFANYLMETHYL)-3H-QUINAZOLINE-4-ONE, TRNA-GUANINE TRANSGLYCOSYLASE, ZINC ION
Authors:Brenk, R, Meyer, E.A, Castellano, R.K, Furler, M, Stubbs, M.T, Klebe, G, Diederich, F.
Deposit date:2001-10-08
Release date:2002-04-24
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:De novo design, synthesis, and in vitro evaluation of inhibitors for prokaryotic tRNA-guanine transglycosylase: a dramatic sulfur effect on binding affinity.
ChemBioChem, 3, 2002
1S39
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BU of 1s39 by Molmil
CRYSTAL STRUCTURE OF TGT IN COMPLEX WITH 2-aminoquinazolin-4(3H)-one
Descriptor: 2-AMINOQUINAZOLIN-4(3H)-ONE, ZINC ION, tRNA guanine transglycosylase
Authors:Brenk, R, Meyer, E.A, Reuter, K, Garcia, G.A, Stubbs, M.T, Klebe, G.
Deposit date:2004-01-12
Release date:2004-11-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Synthesis and In Vitro Evaluation of 2-Aminoquinazolin-4(3H)-one-Based Inhibitors for tRNA-Guanine Transglycosylase (TGT)
HELV.CHIM.ACTA, 87, 2004
7TXC
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BU of 7txc by Molmil
HIC2 zinc finger domain in complex with the DNA binding motif-2 of the BCL11A enhancer
Descriptor: DNA (5'-D(*AP*CP*TP*GP*TP*TP*GP*GP*CP*AP*TP*TP*AP*TP*CP*T)-3'), DNA (5'-D(*AP*GP*AP*TP*AP*AP*TP*GP*CP*CP*AP*AP*CP*AP*GP*T)-3'), Hypermethylated in cancer 2 protein, ...
Authors:Horton, J.R, Ren, R, Cheng, X.
Deposit date:2022-02-08
Release date:2022-06-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:HIC2 controls developmental hemoglobin switching by repressing BCL11A transcription.
Nat.Genet., 54, 2022
7N5S
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BU of 7n5s by Molmil
ZBTB7A Zinc Finger Domain Bound to -200 Site of Fetal Globin Promoter (Oligo 6)
Descriptor: DNA Strand I, DNA Strand II, ZINC ION, ...
Authors:Horton, J.R, Ren, R, Cheng, X.
Deposit date:2021-06-06
Release date:2021-08-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Structural basis for human ZBTB7A action at the fetal globin promoter.
Cell Rep, 36, 2021
7N5T
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BU of 7n5t by Molmil
ZBTB7A Zinc Finger Domain Bound to -200 Site of Fetal Globin Promoter (Oligo 5)
Descriptor: DNA Strand I, DNA Strand II, ZINC ION, ...
Authors:Horton, J.R, Ren, R, Cheng, X.
Deposit date:2021-06-06
Release date:2021-08-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for human ZBTB7A action at the fetal globin promoter.
Cell Rep, 36, 2021
7OC1
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BU of 7oc1 by Molmil
Structure of Pseudomonas aeruginosa FabF mutant C164Q in complex with Platensimycin
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Georgiou, C, Brenk, R, Espeland, L.O, Klein, R.
Deposit date:2021-04-25
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An Experimental Toolbox for Structure-Based Hit Discovery for P. aeruginosa FabF, a Promising Target for Antibiotics.
Chemmedchem, 16, 2021
7OC0
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BU of 7oc0 by Molmil
Structure of Pseudomonas aeruginosa FabF mutant C164Q in complex with a ligand (2S,4R)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid
Descriptor: (2S,4R)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ...
Authors:Georgiou, C, Brenk, R, Espeland, L.O, Klein, R.
Deposit date:2021-04-25
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:An Experimental Toolbox for Structure-Based Hit Discovery for P. aeruginosa FabF, a Promising Target for Antibiotics.
Chemmedchem, 16, 2021
3ZDW
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BU of 3zdw by Molmil
Substrate and dioxygen binding to the endospore coat laccase CotA from Bacillus subtilis
Descriptor: 3-ETHYL-2-[(2Z)-2-(3-ETHYL-6-SULFO-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)HYDRAZINO]-6-SULFO-3H-1,3-BENZOTHIAZOL-1-IUM, COPPER (I) ION, COTA LACCASE, ...
Authors:Enguita, F.J, Marcal, D, Grenha, R, Lindley, P.F, Carrondo, M.A.
Deposit date:2012-12-01
Release date:2012-12-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Substrate and Dioxygen Binding to the Endospore Coat Laccase from Bacillus Subtilis.
J.Biol.Chem., 279, 2004
6WA0
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BU of 6wa0 by Molmil
De novo designed receptor transmembrane domains enhance CAR-T cytotoxicity and attenuate cytokine release
Descriptor: De novo designed receptor transmembrane domain proMP C3.1
Authors:Call, M.J, Call, M.E, Chandler, N.J, Nguyen, J.V, Trenker, R.
Deposit date:2020-03-24
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.484 Å)
Cite:De novo designed receptor transmembrane domains enhance CAR-T cytotoxicity and attenuate cytokine release
To Be Published
6W9Y
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BU of 6w9y by Molmil
De novo designed receptor transmembrane domains enhance CAR-T cytotoxicity and attenuate cytokine release
Descriptor: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, De novo designed receptor transmembrane domain proMP 1.2
Authors:Call, M.J, Call, M.E, Chandler, N.J, Nguyen, J.V, Trenker, R.
Deposit date:2020-03-24
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:De novo designed receptor transmembrane domains enhance CAR-T cytotoxicity and attenuate cytokine release
To Be Published
6W9Z
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BU of 6w9z by Molmil
De novo designed receptor transmembrane domains enhance CAR-T cytotoxicity and attenuate cytokine release
Descriptor: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, De novo designed receptor transmembrane domain ProMP C2.1
Authors:Call, M.J, Call, M.E, Chandler, N.J, Nguyen, J.V, Trenker, R.
Deposit date:2020-03-24
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:De novo designed receptor transmembrane domains enhance CAR-T cytotoxicity and attenuate cytokine release
To Be Published
4KUL
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BU of 4kul by Molmil
Crystal structure of N-terminal acetylated yeast Sir3 BAH domain V83P mutant
Descriptor: Regulatory protein SIR3
Authors:Yang, D, Fang, Q, Wang, M, Ren, R, Wang, H, He, M, Sun, Y, Yang, N, Xu, R.M.
Deposit date:2013-05-22
Release date:2013-08-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:N alpha-acetylated Sir3 stabilizes the conformation of a nucleosome-binding loop in the BAH domain.
Nat.Struct.Mol.Biol., 20, 2013
4KUI
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BU of 4kui by Molmil
Crystal structure of N-terminal acetylated yeast Sir3 BAH domain
Descriptor: ACETIC ACID, ISOPROPYL ALCOHOL, Regulatory protein SIR3
Authors:Yang, D, Fang, Q, Wang, M, Ren, R, Wang, H, He, M, Sun, Y, Yang, N, Xu, R.M.
Deposit date:2013-05-22
Release date:2013-08-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:N alpha-acetylated Sir3 stabilizes the conformation of a nucleosome-binding loop in the BAH domain.
Nat.Struct.Mol.Biol., 20, 2013
4KUD
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BU of 4kud by Molmil
Crystal structure of N-terminal acetylated Sir3 BAH domain D205N mutant in complex with yeast nucleosome core particle
Descriptor: Histone H2A.2, Histone H2B.1, Histone H3, ...
Authors:Yang, D, Fang, Q, Wang, M, Ren, R, Wang, H, He, M, Sun, Y, Yang, N, Xu, R.M.
Deposit date:2013-05-22
Release date:2013-08-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.203 Å)
Cite:N alpha-acetylated Sir3 stabilizes the conformation of a nucleosome-binding loop in the BAH domain.
Nat.Struct.Mol.Biol., 20, 2013

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