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PDB: 1971 件

6NKS
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Ternary complex crystal structure of K289M variant of DNA polymerase Beta with beta-gamma CHF analog of dGTP
分子名称: 2'-DEOXY-5'-O-[(R)-{[(R)-[(R)-FLUORO(PHOSPHONO)METHYL](HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]GUANOSINE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
著者Batra, V.K, Wilson, S.H.
登録日2019-01-07
公開日2020-01-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.349 Å)
主引用文献Revealing an Internal Stabilization Deficiency in the DNA Polymerase beta K289M Cancer Variant through the Combined Use of Chemical Biology and X-ray Crystallography.
Biochemistry, 59, 2020
6NKW
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Ternary complex crystal structure of DNA polymerase Beta with "hot-spot sequence" with beta-gamma-methylene dGTP
分子名称: 2'-DEOXY-5'-O-(HYDROXY{[HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]OXY}PHOSPHORYL)GUANOSINE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*AP*CP*AP*AP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
著者Batra, V.K, Wilson, S.H.
登録日2019-01-07
公開日2020-01-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Revealing an Internal Stabilization Deficiency in the DNA Polymerase beta K289M Cancer Variant through the Combined Use of Chemical Biology and X-ray Crystallography.
Biochemistry, 59, 2020
3SC6
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BU of 3sc6 by Molmil
2.65 Angstrom resolution crystal structure of dTDP-4-dehydrorhamnose reductase (rfbD) from Bacillus anthracis str. Ames in complex with NADP
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, dTDP-4-dehydrorhamnose reductase
著者Halavaty, A.S, Kuhn, M, Shuvalova, L, Minasov, G, Peterson, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-06-07
公開日2011-06-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure of the Bacillus anthracis dTDP-L-rhamnose-biosynthetic enzyme dTDP-4-dehydrorhamnose reductase (RfbD).
Acta Crystallogr F Struct Biol Commun, 73, 2017
3JS3
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Crystal structure of type I 3-dehydroquinate dehydratase (aroD) from Clostridium difficile with covalent reaction intermediate
分子名称: 3-AMINO-4,5-DIHYDROXY-CYCLOHEX-1-ENECARBOXYLATE, 3-dehydroquinate dehydratase
著者Minasov, G, Light, S.H, Shuvalova, L, Dubrovska, I, Winsor, J, Peterson, S.N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-09-09
公開日2009-09-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Insights into the mechanism of type I dehydroquinate dehydratases from structures of reaction intermediates.
J.Biol.Chem., 286, 2011
4XUC
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BU of 4xuc by Molmil
Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of catechol-O-methyltransferase (COMT): Structure with Cmpd18 (1-(biphenyl-3-yl)-3-hydroxypyridin-4(1H)-one)
分子名称: 1-(biphenyl-3-yl)-3-hydroxypyridin-4(1H)-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Catechol O-methyltransferase, ...
著者Allison, T, Wolkenberg, S, Sanders, J.M, Soisson, S.M.
登録日2015-01-25
公開日2015-04-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Synthesis and Evaluation of Heterocyclic Catechol Mimics as Inhibitors of Catechol-O-methyltransferase (COMT).
Acs Med.Chem.Lett., 6, 2015
4XUD
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BU of 4xud by Molmil
Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of catechol-O-methyltransferase (COMT): Structure with Cmpd32 ([1-(biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic acid)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Catechol O-methyltransferase, MAGNESIUM ION, ...
著者Allison, T, Wolkenberg, S, Sanders, J.M, Soisson, S.M.
登録日2015-01-25
公開日2015-04-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Synthesis and Evaluation of Heterocyclic Catechol Mimics as Inhibitors of Catechol-O-methyltransferase (COMT).
Acs Med.Chem.Lett., 6, 2015
3V4G
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1.60 Angstrom resolution crystal structure of an arginine repressor from Vibrio vulnificus CMCP6
分子名称: Arginine repressor
著者Halavaty, A.S, Minasov, G, Filippova, E, Shuvalova, L, Winsor, J, Dubrovska, I, Peterson, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-12-14
公開日2012-01-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献1.60 Angstrom resolution crystal structure of an arginine repressor from Vibrio vulnificus CMCP6
To be Published
5MWE
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BU of 5mwe by Molmil
Complex between the Leucine Zipper (LZ, residues 490-567) and Centrosomin-motif 2 (CM2) domains of Drosophila melanogaster Centrosomin (Cnn)
分子名称: 1,2-ETHANEDIOL, 3,3',3''-phosphanetriyltripropanoic acid, Centrosomin, ...
著者Feng, Z, Johnson, S, Raff, J.W, Lea, S.M.
登録日2017-01-18
公開日2017-06-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structural Basis for Mitotic Centrosome Assembly in Flies.
Cell, 169, 2017
5HPO
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Cycloalternan-forming enzyme from Listeria monocytogenes in complex with maltopentaose
分子名称: CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Halavaty, A.S, Light, S.H, Minasov, G, Winsor, J, Grimshaw, S, Shuvalova, L, Peterson, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-01-20
公開日2017-01-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Transferase Versus Hydrolase: The Role of Conformational Flexibility in Reaction Specificity.
Structure, 25, 2017
5MW9
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BU of 5mw9 by Molmil
Complex between the Leucine Zipper (LZ) and Centrosomin-motif 2 (CM2) domains of Drosophila melanogaster Centrosomin (Cnn) - L535E mutant form
分子名称: Centrosomin, ZINC ION
著者Feng, Z, Johnson, S, Raff, J.W, Lea, S.M.
登録日2017-01-18
公開日2017-06-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis for Mitotic Centrosome Assembly in Flies.
Cell, 169, 2017
5MVW
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BU of 5mvw by Molmil
Complex between the Leucine Zipper (LZ) and Centrosomin-motif 2 (CM2) domains of Drosophila melanogaster Centrosomin (Cnn)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Centrosomin, ...
著者Feng, Z, Johnson, S, Raff, J.W, Lea, S.M.
登録日2017-01-17
公開日2017-06-28
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structural Basis for Mitotic Centrosome Assembly in Flies.
Cell, 169, 2017
5MW0
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BU of 5mw0 by Molmil
Complex between the Leucine Zipper (LZ) and Centrosomin-motif 2 (CM2) domains of Drosophila melanogaster Centrosomin (Cnn) - L535E mutant form
分子名称: Centrosomin, ZINC ION
著者Feng, Z, Johnson, S, Raff, J.W, Lea, S.M.
登録日2017-01-17
公開日2017-06-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for Mitotic Centrosome Assembly in Flies.
Cell, 169, 2017
4XUE
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BU of 4xue by Molmil
Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of catechol-O-methyltransferase (COMT): Structure with Cmpd27b
分子名称: 2-(biphenyl-3-yl)-5-hydroxy-3-methylpyrimidin-4(3H)-one, Catechol O-methyltransferase, MAGNESIUM ION, ...
著者Allison, T, Wolkenberg, S, Sanders, J.M, Soisson, S.M.
登録日2015-01-25
公開日2015-04-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Synthesis and Evaluation of Heterocyclic Catechol Mimics as Inhibitors of Catechol-O-methyltransferase (COMT).
Acs Med.Chem.Lett., 6, 2015
6NL0
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BU of 6nl0 by Molmil
Ternary complex crystal structure of K289M variant of DNA polymerase Beta with "hot-spot sequence" with beta-gamma CF2 analogue of dGTP
分子名称: 2'-DEOXY-5'-O-[({[DIFLUORO(PHOSPHONO)METHYL](HYDROXY)PHOSPHORYL}OXY)(HYDROXY)PHOSPHORYL]GUANOSINE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*AP*CP*AP*AP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
著者Batra, V.K, Wilson, S.H.
登録日2019-01-07
公開日2020-01-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Revealing an Internal Stabilization Deficiency in the DNA Polymerase beta K289M Cancer Variant through the Combined Use of Chemical Biology and X-ray Crystallography.
Biochemistry, 59, 2020
3N4J
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BU of 3n4j by Molmil
Putative RNA methyltransferase from Yersinia pestis
分子名称: RNA methyltransferase, SULFATE ION
著者Osipiuk, J, Maltseva, N, Peterson, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2010-05-21
公開日2010-06-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献X-ray crystal structure of putative RNA methyltransferase from Yersinia pestis.
To be Published
5AAU
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BU of 5aau by Molmil
Optimization of a novel binding motif to to (E)-3-(3,5-difluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H- pyrido(3,4-b)indol-1-yl)phenyl)acrylic acid (AZD9496), a potent and orally bioavailable selective estrogen receptor downregulator and antagonist
分子名称: 3-(1-(4-Chlorophenyl)-3,4-dihydro-1H-pyrido(3,4-b)indol-2(9H)-yl)propanoic acid, ESTROGEN RECEPTOR
著者Norman, R.A, Bradbury, R.H, de Almeida, C, Andrews, D.M, Ballard, P, Buttar, D, Callis, R.J, Currie, G.S, Curwen, J.O, Davies, C.D, de Savi, C, Donald, C.S, Feron, L.J.L, Glossop, S.C, Hayter, B.R, Karoutchi, G, Lamont, S.G, MacFaul, P, Moss, T, Pearson, S.E, Rabow, A.A, Tonge, M, Walker, G.E, Weir, H.M, Wilson, Z.
登録日2015-07-28
公開日2015-10-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Optimization of a Novel Binding Motif to (E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-Fluoro-2-Methylpropyl)-3-Methyl-2, 3,4,9-Tetrahydro-1H-Pyrido[3,4-B]Indol-1-Yl)Phenyl)Acrylic Acid (Azd9496), a Potent and Orally Bioavailable Selective Estrogen Receptor Downregulator and Antagonist.
J.Med.Chem., 58, 2015
5AAV
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BU of 5aav by Molmil
Optimization of a novel binding motif to to (E)-3-(3,5-difluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H- pyrido(3,4-b)indol-1-yl)phenyl)acrylic acid (AZD9496), a potent and orally bioavailable selective estrogen receptor downregulator and antagonist
分子名称: (2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-ENYL]PHENYL}ACRYLIC ACID, ESTROGEN RECEPTOR
著者Norman, R.A, Bradbury, R.H, de Almeida, C, Andrews, D.M, Ballard, P, Buttar, D, Callis, R.J, Currie, G.S, Curwen, J.O, Davies, C.D, de Savi, C, Donald, C.S, Feron, L.J.L, Glossop, S.C, Hayter, B.R, Karoutchi, G, Lamont, S.G, MacFaul, P, Moss, T, Pearson, S.E, Rabow, A.A, Tonge, M, Walker, G.E, Weir, H.M, Wilson, Z.
登録日2015-07-29
公開日2015-10-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Optimization of a Novel Binding Motif to (E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-Fluoro-2-Methylpropyl)-3-Methyl-2, 3,4,9-Tetrahydro-1H-Pyrido[3,4-B]Indol-1-Yl)Phenyl)Acrylic Acid (Azd9496), a Potent and Orally Bioavailable Selective Estrogen Receptor Downregulator and Antagonist.
J.Med.Chem., 58, 2015
7OE7
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BU of 7oe7 by Molmil
Apo-structure of Lassa virus L protein (well-resolved alpha ribbon) [APO-RIBBON]
分子名称: MAGNESIUM ION, RNA-directed RNA polymerase L, ZINC ION
著者Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S.
登録日2021-05-01
公開日2021-12-01
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.73 Å)
主引用文献Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity.
Nat Commun, 12, 2021
7OJK
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BU of 7ojk by Molmil
Lassa virus L protein bound to the distal promoter duplex [DISTAL-PROMOTER]
分子名称: 3' RNA, 5' RNA, RNA-directed RNA polymerase L, ...
著者Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S.
登録日2021-05-16
公開日2021-12-01
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.89 Å)
主引用文献Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity.
Nat Commun, 12, 2021
7OCH
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BU of 7och by Molmil
Apo-structure of Lassa virus L protein (well-resolved polymerase core) [APO-CORE]
分子名称: MAGNESIUM ION, RNA-directed RNA polymerase L, ZINC ION
著者Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S.
登録日2021-04-26
公開日2021-12-01
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity.
Nat Commun, 12, 2021
7OEA
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BU of 7oea by Molmil
Lassa virus L protein bound to 3' promoter RNA (well-resolved polymerase core) [3END-CORE]
分子名称: 3' vRNA, MAGNESIUM ION, RNA-directed RNA polymerase L, ...
著者Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S.
登録日2021-05-02
公開日2021-12-01
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity.
Nat Commun, 12, 2021
7OJN
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BU of 7ojn by Molmil
Lassa virus L protein in an elongation conformation [ELONGATION]
分子名称: 3' RNA, 5' RNA, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, ...
著者Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S.
登録日2021-05-16
公開日2021-12-01
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.92 Å)
主引用文献Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity.
Nat Commun, 12, 2021
7OEB
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BU of 7oeb by Molmil
Lassa virus L protein bound to 3' promoter RNA (well-resolved endonuclease) [3END-ENDO]
分子名称: 3' vRNA, MAGNESIUM ION, RNA-directed RNA polymerase L, ...
著者Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S.
登録日2021-05-02
公開日2021-12-01
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity.
Nat Commun, 12, 2021
7OE3
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BU of 7oe3 by Molmil
Apo-structure of Lassa virus L protein (well-resolved endonuclease) [APO-ENDO]
分子名称: MAGNESIUM ION, RNA-directed RNA polymerase L, ZINC ION
著者Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S.
登録日2021-05-01
公開日2021-12-01
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity.
Nat Commun, 12, 2021
7OJL
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Lassa virus L protein in a pre-initiation conformation [PREINITIATION]
分子名称: 3' RNA, 5' RNA, MANGANESE (II) ION, ...
著者Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S.
登録日2021-05-16
公開日2021-12-01
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity.
Nat Commun, 12, 2021

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