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3CRW
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BU of 3crw by Molmil
XPD_APO
Descriptor: HEXACYANOFERRATE(3-), XPD/Rad3 related DNA helicase
Authors:Fan, L, Arvai, A.S, Tainer, J.A.
Deposit date:2008-04-07
Release date:2008-06-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (4 Å)
Cite:XPD helicase structures and activities: insights into the cancer and aging phenotypes from XPD mutations.
Cell(Cambridge,Mass.), 133, 2008
3CRV
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BU of 3crv by Molmil
XPD_Helicase
Descriptor: CITRATE ANION, GLYCEROL, IRON/SULFUR CLUSTER, ...
Authors:Fan, L, Arvai, A.S, Tainer, J.A.
Deposit date:2008-04-07
Release date:2008-06-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:XPD helicase structures and activities: insights into the cancer and aging phenotypes from XPD mutations.
Cell(Cambridge,Mass.), 133, 2008
6LUQ
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BU of 6luq by Molmil
Haloperidol bound D2 dopamine receptor structure inspired discovery of subtype selective ligands
Descriptor: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one, OLEIC ACID, chimera of D(2) dopamine receptor and Endolysin
Authors:Fan, L, Tan, L, Chen, Z, Qi, J, Nie, F, Luo, Z, Cheng, J, Wang, S.
Deposit date:2020-01-30
Release date:2020-03-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Haloperidol bound D2dopamine receptor structure inspired the discovery of subtype selective ligands.
Nat Commun, 11, 2020
6P4W
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BU of 6p4w by Molmil
XPB helicase in a complex with truncated Bax1 from Sulfurisphaera tokodaii at 2.96 Angstrom resolution
Descriptor: CHLORIDE ION, DNA-dependent ATPase XPBII, Endonuclease Bax1, ...
Authors:Fan, L, He, F, DuPrez, K.T.
Deposit date:2019-05-28
Release date:2020-06-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.956 Å)
Cite:XPB helicase in a complex with truncated Bax1 from Sulfurisphaera tokodaii at 2.96 Angstrom resolution
To Be Published
6P4O
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BU of 6p4o by Molmil
Complex of XPB helicase with Bax1 endonuclease from Sulfurisphaera tokodaii at 3.15 Angstroms resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DNA-dependent ATPase XPBII, ...
Authors:Fan, L, DuPrez, K.T.
Deposit date:2019-05-28
Release date:2020-06-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Complex of XPB helicase with Bax1 endonuclease from Sulfurisphaera tokodaii at 3.15 Angstroms resolution
To Be Published
2FWR
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BU of 2fwr by Molmil
Structure of Archaeoglobus Fulgidis XPB
Descriptor: DNA repair protein RAD25, ISOPROPYL ALCOHOL, PHOSPHATE ION
Authors:Fan, L, Arvai, A.S, Tainer, J.A.
Deposit date:2006-02-02
Release date:2006-04-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Conserved XPB Core Structure and Motifs for DNA Unwinding: Implications for Pathway Selection of Transcription or Excision Repair
Mol.Cell, 22, 2006
2FZL
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BU of 2fzl by Molmil
Structure of C-terminal domain of Archaeoglobus fulgidus XPB
Descriptor: DNA repair protein RAD25, XPB, ISOPROPYL ALCOHOL
Authors:Fan, L, Arvai, A.S, Tainer, J.A.
Deposit date:2006-02-09
Release date:2006-04-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Conserved XPB Core Structure and Motifs for DNA Unwinding: Implications for Pathway Selection of Transcription or Excision Repair
Mol.Cell, 22, 2006
2G4C
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BU of 2g4c by Molmil
Crystal Structure of human DNA polymerase gamma accessory subunit
Descriptor: DNA polymerase gamma subunit 2
Authors:Fan, L, Farr, C.L, Kaguni, L.S, Tainer, J.A.
Deposit date:2006-02-22
Release date:2006-04-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:A novel processive mechanism for DNA synthesis revealed by structure, modeling and mutagenesis of the accessory subunit of human mitochondrial DNA polymerase
J.Mol.Biol., 358, 2006
2FZ4
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BU of 2fz4 by Molmil
Crystal Structure of the N-terminal half of Archaeoglobus Fulgidus XPB
Descriptor: DNA repair protein RAD25
Authors:Fan, L, Tainer, J.A.
Deposit date:2006-02-09
Release date:2006-04-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Conserved XPB Core Structure and Motifs for DNA Unwinding: Implications for Pathway Selection of Transcription or Excision Repair.
Mol.Cell, 22, 2006
1PM9
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BU of 1pm9 by Molmil
CRYSTAL STRUCTURE OF HUMAN MNSOD H30N, Y166F MUTANT
Descriptor: MANGANESE (III) ION, Superoxide dismutase [Mn], mitochondrial
Authors:Fan, L, Tainer, J.A.
Deposit date:2003-06-10
Release date:2003-12-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Amino acid substitution at the dimeric interface of human manganese superoxide dismutase
J.Biol.Chem., 279, 2004
1PL4
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BU of 1pl4 by Molmil
Crystal Structure of human MnSOD Y166F mutant
Descriptor: MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial
Authors:Fan, L, Tainer, J.A.
Deposit date:2003-06-06
Release date:2003-12-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Amino acid substitution at the dimeric interface of human manganese superoxide dismutase
J.Biol.Chem., 279, 2004
4ERN
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BU of 4ern by Molmil
Crystal structure of the C-terminal domain of human XPB/ERCC-3 excision repair protein at 1.80 A
Descriptor: TFIIH basal transcription factor complex helicase XPB subunit
Authors:Hilario, E, Li, Y, Fan, L.
Deposit date:2012-04-20
Release date:2013-01-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the C-terminal half of human XPB helicase and the impact of the disease-causing mutation XP11BE.
Acta Crystallogr.,Sect.D, 69, 2013
6OSO
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BU of 6oso by Molmil
The crystal structure of the isolate tryptophan synthase alpha-chain from Salmonella enterica serovar typhimurium at 1.75 Angstrom resolution
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, SULFATE ION, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L, Chang, C, Fan, L.
Deposit date:2019-05-01
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Backbone assignments and conformational dynamics in the S. typhimurium tryptophan synthase alpha-subunit from solution-state NMR.
J.Biomol.Nmr, 74, 2020
6OUY
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BU of 6ouy by Molmil
The crystal structure of the isolate tryptophan synthase alpha-chain from Salmonella enterica serovar typhimurium at 1.60 Angstrom resolution
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, SULFATE ION, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L, Chang, C, Fan, L.
Deposit date:2019-05-06
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Backbone assignments and conformational dynamics in the S. typhimurium tryptophan synthase alpha-subunit from solution-state NMR.
J.Biomol.Nmr, 74, 2020
6WDU
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BU of 6wdu by Molmil
The external aldimine form of the Salmonella thypi wild-type tryptophan synthase in open conformation showing multiple side chain conformations for the residue beta Q114 and sodium ion at the metal coordination site. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring.
Descriptor: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Hilario, E, Fan, L, Dunn, M.F, Mueller, L.J.
Deposit date:2020-04-01
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The external aldimine form of the Salmonella thypi wild-type tryptophan synthase in open conformation showing multiple side chain conformations for the residue beta Q114 and sodium ion at the metal coordination site. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring.
To be Published
6WX3
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BU of 6wx3 by Molmil
High resolution Tryptophan Synthase crystal structure from Salmonella typhimurium in complex with F9 inhibitor in the alpha-site, Cesium ion at the metal coordination site and internal aldimine form.
Descriptor: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, BICINE, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J, Fan, L.
Deposit date:2020-05-09
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:High resolution Tryptophan Synthase crystal structure from Salmonella typhimurium in complex with F9 inhibitor in the alpha-site, Cesium ion at the metal coordination site and internal aldimine form.
To be Published
6X0C
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BU of 6x0c by Molmil
Tryptophan Synthase mutant beta-Q114A in complex with Cesium ion at the metal coordination site and aminoacrylate and benzimidazole at the enzyme beta site
Descriptor: 1,2-ETHANEDIOL, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, BENZIMIDAZOLE, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J, Fan, L.
Deposit date:2020-05-15
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:External aldimine form of Tryptophan Synthase mutant beta-Q114A in complex with Cesium ion at the metal coordination site and benzimidazole at the enzyme beta site.
To be Published
6XE3
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BU of 6xe3 by Molmil
Salmonella typhimurium Tryptophan Synthase beta-S377A mutant in complex with inhibitor F9 at the enzyme alpha-site, cesium ion at the metal coordination site and carbanion III E(C3) at the enzyme beta-site.
Descriptor: (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid, 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J, Fan, L.
Deposit date:2020-06-11
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Salmonella typhimurium Tryptophan Synthase beta-S377A mutant in complex with inhibitor F9 at the enzyme alpha-site, cesium ion at the metal coordination site and carbanion III E(C3) at the enzyme beta-site.
To be Published
6XIN
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BU of 6xin by Molmil
The crystal structure of tryptophan synthase from Salmonella enterica serovar typhimurium in complex with (2S)-3-Amino-3-imino-2-phenyldiazenylpropanamide at the enzyme alpha-site.
Descriptor: (2R,3Z)-3-amino-3-imino-2-[(E)-phenyldiazenyl]propanamide, 1,2-ETHANEDIOL, CESIUM ION, ...
Authors:Hilario, E, Chang, C, Mueller, L.J, Dunn, M.F, Fan, L.
Deposit date:2020-06-20
Release date:2021-06-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The crystal structure of tryptophan synthase from Salmonella enterica serovar typhimurium in complex with (2S)-3-Amino-3-imino-2-phenyldiazenylpropanamide at the enzyme alpha-site.
To Be Published
6C73
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BU of 6c73 by Molmil
Tryptophan synthase Q114A mutant (internal aldimine state) in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) with cesium ion bound in the metal coordination site
Descriptor: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, CESIUM ION, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J, Fan, L.
Deposit date:2018-01-19
Release date:2019-01-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Tryptophan synthase Q114A mutant (internal aldimine state) in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) with cesium ion bound in the metal coordination site.
To be Published
4WUY
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BU of 4wuy by Molmil
Crystal Structure of Protein Lysine Methyltransferase SMYD2 in complex with LLY-507, a Cell-Active, Potent and Selective Inhibitor
Descriptor: 5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}-N-[3-(pyrrolidin-1-yl)propyl]biphenyl-3-carboxamide, GLYCEROL, N-lysine methyltransferase SMYD2, ...
Authors:Nguyen, H, Allali-Hassani, A, Antonysamy, S, Chang, S, Chen, L.H, Curtis, C, Emtage, S, Fan, L, Gheyi, T, Li, F, Liu, S, Martin, J.R, Mendel, D, Olsen, J.B, Pelletier, L, Shatseva, T, Wu, S, Zhang, F.F, Arrowsmith, C.H, Brown, P.J, Campbell, R.M, Garcia, B.A, Barsyte-Lovejoy, D, Mader, M, Vedadi, M.
Deposit date:2014-11-04
Release date:2015-04-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:LLY-507, a Cell-active, Potent, and Selective Inhibitor of Protein-lysine Methyltransferase SMYD2.
J.Biol.Chem., 290, 2015
6P66
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BU of 6p66 by Molmil
The crystal structure of the XPB complex with Bax1 from Archaeoglobus fulgidus at 3.0 Angstrom resolution
Descriptor: CHLORIDE ION, DNA endonuclease Bax1, DNA repair protein RAD25
Authors:DuPrez, K.T, Fan, L, Hilario, E.
Deposit date:2019-06-03
Release date:2020-06-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis of the XPB-Bax1 complex as a dynamic helicase-nuclease machinery for DNA repair.
Nucleic Acids Res., 48, 2020
6P4F
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BU of 6p4f by Molmil
Crystal structure of the XPB-Bax1-forked DNA ternary complex
Descriptor: CHLORIDE ION, DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*AP*AP*CP*AP*TP*CP*CP*TP*TP*TP*GP*CP*TP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*GP*TP*AP*GP*GP*TP*TP*TP*CP*CP*AP*TP*GP*TP*TP*GP*AP*GP*TP*CP*A)-3'), ...
Authors:He, F, Hilario, E, Fan, L.
Deposit date:2019-05-27
Release date:2020-06-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.55 Å)
Cite:Structural basis of the XPB helicase-Bax1 nuclease complex interacting with the repair bubble DNA.
Nucleic Acids Res., 48, 2020
5TNU
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BU of 5tnu by Molmil
S. tokodaii XPB II crystal structure at 3.0 Angstrom resolution
Descriptor: CHLORIDE ION, DNA-dependent ATPase XPBII, GLYCEROL, ...
Authors:DuPrez, K.T, Hilario, E, Wang, I, Fan, L.
Deposit date:2016-10-14
Release date:2017-11-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Application of Electrochemical Devices to Characterize the Dynamic Actions of Helicases on DNA.
Anal.Chem., 90, 2018
6D0V
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BU of 6d0v by Molmil
Tryptophan synthase Q114A mutant in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the alpha-site, aminoacrylate at the beta site, and cesium ion at the metal coordination site
Descriptor: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J, Fan, L.
Deposit date:2018-04-11
Release date:2019-04-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Tryptophan synthase Q114A mutant in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the alpha-site, aminoacrylate at the beta site, and cesium ion at the metal coordination site.
To be Published

217705

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