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2YPO
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BU of 2ypo by Molmil
3-deoxy-D-arabino-heptulosonate 7-phosphate synthase with phenylalanine bound in only one site
分子名称: GLYCEROL, MANGANESE (II) ION, PHENYLALANINE, ...
著者Blackmore, N.J, Reichau, S, Jiao, W, Hutton, R.D, Baker, E.N, Jameson, G.B, Parker, E.J.
登録日2012-10-31
公開日2013-01-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Three Sites and You are Out: Ternary Synergistic Allostery Controls Aromatic Aminoacid Biosynthesis in Mycobacterium Tuberculosis.
J.Mol.Biol., 425, 2013
2YPQ
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BU of 2ypq by Molmil
3-deoxy-D-arabino-heptulosonate 7-phosphate synthase with tryptophan and tyrosine bound
分子名称: CHLORIDE ION, GLYCEROL, MANGANESE (II) ION, ...
著者Blackmore, N.J, Reichau, S, Jiao, W, Hutton, R.D, Baker, E.N, Jameson, G.B, Parker, E.J.
登録日2012-10-31
公開日2013-01-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Three Sites and You are Out: Ternary Synergistic Allostery Controls Aromatic Aminoacid Biosynthesis in Mycobacterium Tuberculosis.
J.Mol.Biol., 425, 2013
2YPP
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BU of 2ypp by Molmil
3-deoxy-D-arabino-heptulosonate 7-phosphate synthase in complex with 3 tyrosine molecules
分子名称: CHLORIDE ION, GLYCEROL, MANGANESE (II) ION, ...
著者Blackmore, N.J, Reichau, S, Jiao, W, Hutton, R.D, Baker, E.N, Jameson, G.B, Parker, E.J.
登録日2012-10-31
公開日2013-01-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Three Sites and You are Out: Ternary Synergistic Allostery Controls Aromatic Aminoacid Biosynthesis in Mycobacterium Tuberculosis.
J.Mol.Biol., 425, 2013
5UA2
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BU of 5ua2 by Molmil
Mycobacterium tuberculosis KstR in complex with a 26-bp DNA operator
分子名称: DNA (5'-D(P*AP*CP*TP*AP*TP*TP*AP*GP*AP*AP*CP*AP*CP*GP*TP*TP*CP*TP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(P*CP*CP*CP*AP*CP*TP*AP*GP*AP*AP*CP*GP*TP*GP*TP*TP*CP*TP*AP*AP*TP*AP*GP*T)-3'), HTH-type transcriptional repressor KstR, ...
著者Ho, N.A.T, Dawes, S.S, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
登録日2016-12-18
公開日2017-12-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.9002 Å)
主引用文献Crystal structure of KstR in complex with cognate DNA operator
To Be Published
2Z2W
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BU of 2z2w by Molmil
Human Wee1 kinase complexed with inhibitor PF0335770
分子名称: CHLORIDE ION, GLYCEROL, N-[4-(2-CHLOROPHENYL)-1,3-DIOXO-1,2,3,6-TETRAHYDROPYRROLO[3,4-C]CARBAZOL-9-YL]FORMAMIDE, ...
著者Squire, C.J, Baker, E.N.
登録日2007-05-29
公開日2008-05-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Synthesis and Structure-Activity Relationships of 9-Amino-4-(2-chlorophenyl)pyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones and Related Formamides as Inhibitors of the Wee1 and Chk1 Checkpoint Kinases
To be Published
5TTD
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BU of 5ttd by Molmil
Minor pilin FctB from S. pyogenes with engineered intramolecular isopeptide bond
分子名称: FORMIC ACID, Maltose-binding periplasmic protein,Pilin isopeptide linkage domain protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Young, P.G, Kwon, H, Squire, C.J, Baker, E.N.
登録日2016-11-02
公開日2017-03-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Engineering a Lys-Asn isopeptide bond into an immunoglobulin-like protein domain enhances its stability.
Sci Rep, 7, 2017
5UA1
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BU of 5ua1 by Molmil
Mycobacterium tuberculosis KstR in complex with a 18-bp DNA operator
分子名称: DNA (5'-D(*AP*CP*TP*AP*GP*AP*AP*CP*GP*TP*GP*TP*TP*CP*TP*AP*AP*T)-3'), DNA (5'-D(*AP*TP*TP*AP*GP*AP*AP*CP*AP*CP*GP*TP*TP*CP*TP*AP*GP*T)-3'), HTH-type transcriptional repressor KstR, ...
著者Ho, N.A.T, Dawes, S.S, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
登録日2016-12-18
公開日2017-11-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of KstR in complex with cognate DNA operator
To Be Published
5V00
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BU of 5v00 by Molmil
Structure of HutD from Pseudomonas fluorescens SBW25 (Formate condition)
分子名称: FORMIC ACID, GLYCEROL, Uncharacterized protein
著者Liu, Y, Johnston, J.M, Gerth, M.L, Baker, E.N, Lott, J.S, Rainey, P.B.
登録日2017-02-27
公開日2017-03-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of a bicupin protein HutD involved in histidine utilization in Pseudomonas.
Proteins, 85, 2017
3B2M
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BU of 3b2m by Molmil
Crystal Structure of the Major Pilin from Streptococcus pyogenes
分子名称: Putative uncharacterized protein SPy0128
著者Kang, H.J, Coulibaly, F, Proft, T, Baker, E.N.
登録日2007-10-18
公開日2007-12-18
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Stabilizing isopeptide bonds revealed in gram-positive bacterial pilus structure.
Science, 318, 2007
3B4Y
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BU of 3b4y by Molmil
FGD1 (Rv0407) from Mycobacterium tuberculosis
分子名称: CITRATE ANION, COENZYME F420, PROBABLE F420-DEPENDENT GLUCOSE-6-PHOSPHATE DEHYDROGENASE FGD1
著者Bashiri, G, Squire, C.J, Moreland, N.M, Baker, E.N, TB Structural Genomics Consortium (TBSGC)
登録日2007-10-25
公開日2008-04-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structures of F420-dependent glucose-6-phosphate dehydrogenase FGD1 involved in the activation of the anti-tuberculosis drug candidate PA-824 reveal the basis of coenzyme and substrate binding
J.Biol.Chem., 283, 2008
3BI6
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BU of 3bi6 by Molmil
Wee1 kinase complex with inhibitor PD352396
分子名称: 4-(2-chlorophenyl)-9-hydroxy-6-methyl-1,3-dioxo-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-g]carbazole-8-carboxamide, CHLORIDE ION, Wee1-like protein kinase
著者Squire, C.J, Dickson, J.M, Ivanovic, I, Baker, E.N.
登録日2007-11-29
公開日2007-12-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Synthesis and structure-activity relationships of soluble 8-substituted 4-(2-chlorophenyl)-9-hydroxypyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones as inhibitors of the Wee1 and Chk1 checkpoint kinases.
Bioorg.Med.Chem.Lett., 18, 2008
3BIZ
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BU of 3biz by Molmil
Wee1 kinase complex with inhibitor PD331618
分子名称: 4-(2-chlorophenyl)-8-[3-(dimethylamino)propoxy]-9-hydroxy-6-methylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione, CHLORIDE ION, Wee1-like protein kinase
著者Squire, C.J, Dickson, J.M, Ivanovic, I, Baker, E.N.
登録日2007-12-02
公開日2007-12-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Synthesis and structure-activity relationships of soluble 8-substituted 4-(2-chlorophenyl)-9-hydroxypyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones as inhibitors of the Wee1 and Chk1 checkpoint kinases.
Bioorg.Med.Chem.Lett., 18, 2008
3C8N
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BU of 3c8n by Molmil
Crystal structure of apo-FGD1 from Mycobacterium tuberculosis
分子名称: Probable F420-dependent glucose-6-phosphate dehydrogenase FGD1
著者Bashiri, G, Squire, C.J, Moreland, N.J, Baker, E.N.
登録日2008-02-12
公開日2008-04-22
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of F420-dependent glucose-6-phosphate dehydrogenase FGD1 involved in the activation of the anti-tuberculosis drug candidate PA-824 reveal the basis of coenzyme and substrate binding.
J.Biol.Chem., 283, 2008
1I3E
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BU of 1i3e by Molmil
HUMAN AZIDO-MET HEMOGLOBIN BART'S (GAMMA4)
分子名称: AZIDE ION, HEMOGLOBIN GAMMA CHAINS, PROTOPORPHYRIN IX CONTAINING FE
著者Kidd, R.D, Baker, H.M, Mathews, A.J, Brittain, T, Baker, E.N.
登録日2001-02-15
公開日2001-09-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Oligomerization and ligand binding in a homotetrameric hemoglobin: two high-resolution crystal structures of hemoglobin Bart's (gamma(4)), a marker for alpha-thalassemia.
Protein Sci., 10, 2001
1I3D
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BU of 1i3d by Molmil
HUMAN CARBONMONOXY HEMOGLOBIN BART'S (GAMMA4)
分子名称: CARBON MONOXIDE, HEMOGLOBIN GAMMA CHAINS, PROTOPORPHYRIN IX CONTAINING FE
著者Kidd, R.D, Baker, H.M, Mathews, A.J, Brittain, T, Baker, E.N.
登録日2001-02-15
公開日2001-09-12
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Oligomerization and ligand binding in a homotetrameric hemoglobin: two high-resolution crystal structures of hemoglobin Bart's (gamma(4)), a marker for alpha-thalassemia.
Protein Sci., 10, 2001
4W1U
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BU of 4w1u by Molmil
Crystal structure of Rv3557c/KstR2, a transcriptional repressor involved in cholesterol metabolism in Mycobacterium tuberculosis
分子名称: HTH-type transcriptional repressor KstR2
著者Dawes, S.S, Kendall, S.K, Baker, E.N, Lott, J.S.
登録日2014-08-13
公開日2015-07-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.875 Å)
主引用文献Crystal structure of Rv3557c/KstR2, a transcriptional repressor involved in cholesterol metabolism in Mycobacterium tuberculosis.
To Be Published
4WPY
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BU of 4wpy by Molmil
Racemic crystal structure of Rv1738 from Mycobacterium tuberculosis (Form-II)
分子名称: GLYCEROL, protein DL-Rv1738, trifluoroacetic acid
著者Bunker, R.D, Mandal, K, Kent, S.B.H, Baker, E.N.
登録日2014-10-21
公開日2015-03-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A functional role of Rv1738 in Mycobacterium tuberculosis persistence suggested by racemic protein crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
4WVG
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BU of 4wvg by Molmil
Crystal structure of the Type-I signal peptidase from Staphylococcus aureus (SpsB).
分子名称: Maltose-binding periplasmic protein,Signal peptidase IB, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Young, P.G, Ting, Y.T, Baker, E.N.
登録日2014-11-05
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Peptide binding to a bacterial signal peptidase visualized by peptide tethering and carrier-driven crystallization.
IUCrJ, 3, 2016
4WSP
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BU of 4wsp by Molmil
Racemic crystal structure of Rv1738 from Mycobacterium tuberculosis (Form-I)
分子名称: CHLORIDE ION, protein DL-Rv1738
著者Bunker, R.D, Mandal, K, Kent, S.B.H, Baker, E.N.
登録日2014-10-28
公開日2015-03-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献A functional role of Rv1738 in Mycobacterium tuberculosis persistence suggested by racemic protein crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
4WVI
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BU of 4wvi by Molmil
Crystal structure of the Type-I signal peptidase from Staphylococcus aureus (SpsB) in complex with a substrate peptide (pep2).
分子名称: Maltose-binding periplasmic protein,Signal peptidase IB, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, substrate peptide (pep2)
著者Young, P.G, Ting, Y.T, Baker, E.N.
登録日2014-11-05
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Peptide binding to a bacterial signal peptidase visualized by peptide tethering and carrier-driven crystallization.
IUCrJ, 3, 2016
4WVJ
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BU of 4wvj by Molmil
Crystal structure of the Type-I signal peptidase from Staphylococcus aureus (SpsB) in complex with an inhibitor peptide (pep3).
分子名称: Maltose-binding periplasmic protein,Signal peptidase IB, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, inhibitor peptide (PEP3)
著者Young, P.G, Ting, Y.T, Baker, E.N.
登録日2014-11-05
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Peptide binding to a bacterial signal peptidase visualized by peptide tethering and carrier-driven crystallization.
IUCrJ, 3, 2016
4WVH
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BU of 4wvh by Molmil
Crystal structure of the Type-I signal peptidase from Staphylococcus aureus (SpsB) in complex with a substrate peptide (pep1).
分子名称: Maltose-binding periplasmic protein,Signal peptidase IB, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, substrate peptide (pep1)
著者Young, P.G, Ting, Y.T, Baker, E.N.
登録日2014-11-05
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Peptide binding to a bacterial signal peptidase visualized by peptide tethering and carrier-driven crystallization.
IUCrJ, 3, 2016
4XVX
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BU of 4xvx by Molmil
Crystal structure of an acyl-ACP dehydrogenase
分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Acyl-[acyl-carrier-protein] dehydrogenase MbtN, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ...
著者Chai, A, Johnston, J.M, Bunker, R.D, Lott, J.S, Baker, E.N, TB Structural Genomics Consortium (TBSGC)
登録日2015-01-28
公開日2015-02-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A covalent adduct of MbtN, an acyl-ACP dehydrogenase from Mycobacterium tuberculosis, reveals an unusual acyl-binding pocket.
Acta Crystallogr.,Sect.D, 71, 2015
1ET6
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BU of 1et6 by Molmil
CRYSTAL STRUCTURE OF THE SUPERANTIGEN SMEZ-2 FROM STREPTOCOCCUS PYOGENES
分子名称: SUPERANTIGEN SMEZ-2
著者Arcus, V.L, Proft, T, Sigrell, J.A, Baker, H.M, Fraser, J.D, Baker, E.N.
登録日2000-04-12
公開日2000-05-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Conservation and variation in superantigen structure and activity highlighted by the three-dimensional structures of two new superantigens from Streptococcus pyogenes.
J.Mol.Biol., 299, 2000
1EU3
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BU of 1eu3 by Molmil
CRYSTAL STRUCTURE OF THE SUPERANTIGEN SMEZ-2 (ZINC BOUND) FROM STREPTOCOCCUS PYOGENES
分子名称: PHOSPHATE ION, POTASSIUM ION, SUPERANTIGEN SMEZ-2, ...
著者Arcus, V.L, Proft, T, Sigrell, J.A, Baker, H.M, Fraser, J.D, Baker, E.N.
登録日2000-04-13
公開日2000-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Conservation and variation in superantigen structure and activity highlighted by the three-dimensional structures of two new superantigens from Streptococcus pyogenes.
J.Mol.Biol., 299, 2000

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