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4NIL
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BU of 4nil by Molmil
Crystal structure of B. anthracis DHPS with compound 5: 4-[(trifluoromethyl)sulfanyl]benzamide
分子名称: 4-[(trifluoromethyl)sulfanyl]benzamide, Dihydropteroate Synthase, SULFATE ION
著者Hammoudeh, D.I, White, S.W.
登録日2013-11-06
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Identification and characterization of an allosteric inhibitory site on dihydropteroate synthase.
Acs Chem.Biol., 9, 2014
4NIR
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BU of 4nir by Molmil
Crystal structure of B. anthracis DHPS with compound 6: 3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol
分子名称: 3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol, Dihydropteroate Synthase, SULFATE ION
著者Hammoudeh, D.I, White, S.W.
登録日2013-11-06
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.772 Å)
主引用文献Identification and characterization of an allosteric inhibitory site on dihydropteroate synthase.
Acs Chem.Biol., 9, 2014
7U8K
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BU of 7u8k by Molmil
Magic Angle Spinning NMR Structure of Human Cofilin-2 Assembled on Actin Filaments
分子名称: Actin, alpha skeletal muscle, Cofilin-2
著者Kraus, J, Russell, R, Kudryashova, E, Xu, C, Katyal, N, Kudryashov, D, Perilla, J.R, Polenova, T.
登録日2022-03-08
公開日2023-08-16
最終更新日2024-02-28
実験手法SOLID-STATE NMR
主引用文献Magic angle spinning NMR structure of human cofilin-2 assembled on actin filaments reveals isoform-specific conformation and binding mode.
Nat Commun, 13, 2022
3SQ5
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BU of 3sq5 by Molmil
Crystal Structure Analysis of the Yeast Tyrosyl-DNA Phosphodiesterase H432N Mutant
分子名称: Tyrosyl-DNA phosphodiesterase 1
著者Gajewski, S, White, S.W.
登録日2011-07-04
公開日2011-12-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Analysis of the active-site mechanism of tyrosyl-DNA phosphodiesterase I: a member of the phospholipase D superfamily.
J.Mol.Biol., 415, 2012
3SQ3
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BU of 3sq3 by Molmil
Crystal Structure Analysis of the Yeast Tyrosyl-DNA Phosphodiesterase H182A Mutant
分子名称: Tyrosyl-DNA phosphodiesterase 1
著者Gajewski, S, White, S.W.
登録日2011-07-04
公開日2011-12-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Analysis of the active-site mechanism of tyrosyl-DNA phosphodiesterase I: a member of the phospholipase D superfamily.
J.Mol.Biol., 415, 2012
3SQ8
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BU of 3sq8 by Molmil
Crystal Structure Analysis of the Yeast Tyrosyl-DNA Phosphodiesterase 1 H432R Mutant (SCAN1 Mutant)
分子名称: Tyrosyl-DNA phosphodiesterase 1
著者Gajewski, S, White, S.W.
登録日2011-07-05
公開日2011-12-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Analysis of the active-site mechanism of tyrosyl-DNA phosphodiesterase I: a member of the phospholipase D superfamily.
J.Mol.Biol., 415, 2012
3SQ7
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BU of 3sq7 by Molmil
Crystal Structure Analysis of the Yeast Tyrosyl-DNA Phosphodiesterase H432N_Glu Mutant
分子名称: SULFATE ION, Tyrosyl-DNA phosphodiesterase 1
著者Gajewski, S, White, S.W.
登録日2011-07-05
公開日2011-12-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Analysis of the active-site mechanism of tyrosyl-DNA phosphodiesterase I: a member of the phospholipase D superfamily.
J.Mol.Biol., 415, 2012
3TYA
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BU of 3tya by Molmil
Dihydropteroate Synthase in complex with product
分子名称: 7,8-DIHYDROPTEROATE, Dihydropteroate synthase, SULFATE ION
著者White, S.W, Yun, M.-K.
登録日2011-09-24
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.611 Å)
主引用文献Catalysis and sulfa drug resistance in dihydropteroate synthase.
Science, 335, 2012
3TYZ
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BU of 3tyz by Molmil
Crystal Structure of the Yersinia pestis Dihydropteroate synthetase with substrate transition state complex.
分子名称: 2-amino-6-methylidene-6,7-dihydropteridin-4(3H)-one, 4-AMINOBENZOIC ACID, 7,8-dihydropteroate synthase, ...
著者Wu, Y.
登録日2011-09-26
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Catalysis and sulfa drug resistance in dihydropteroate synthase.
Science, 335, 2012
3TYE
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BU of 3tye by Molmil
Dihydropteroate Synthase in complex with DHP-STZ
分子名称: 2-amino-6-methylidene-6,7-dihydropteridin-4(3H)-one, 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide, 4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}-N-(1,3-thiazol-2-yl)benzenesulfonamide, ...
著者Yun, M.-K, White, S.W.
登録日2011-09-24
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Catalysis and sulfa drug resistance in dihydropteroate synthase.
Science, 335, 2012
3TYU
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BU of 3tyu by Molmil
Crystal Structure of Dihydropteroate synthetase with Product1
分子名称: 7,8-dihydropteroate synthase, PTEROIC ACID
著者Yun, M.K.
登録日2011-09-26
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Catalysis and sulfa drug resistance in dihydropteroate synthase.
Science, 335, 2012
3TYB
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BU of 3tyb by Molmil
Dihydropteroate Synthase in complex with pHBA and DHP+
分子名称: 2-amino-6-methylidene-6,7-dihydropteridin-4(3H)-one, Dihydropteroate synthase, P-HYDROXYBENZOIC ACID, ...
著者Yun, M.-K, White, S.W.
登録日2011-09-24
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Catalysis and sulfa drug resistance in dihydropteroate synthase.
Science, 335, 2012
3TZF
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BU of 3tzf by Molmil
Crystal Structure of the Yersinia pestis Dihydropteroate Synthase with Sulfonamide Drug Complex.
分子名称: 6-HYDROXYMETHYLPTERIN-DIPHOSPHATE, 7,8-dihydropteroate synthase, MAGNESIUM ION, ...
著者Wu, Y.
登録日2011-09-27
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Catalysis and sulfa drug resistance in dihydropteroate synthase.
Science, 335, 2012
3TYC
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BU of 3tyc by Molmil
Dihydropteroate Synthase in complex with DHP+
分子名称: 2-amino-6-methylidene-6,7-dihydropteridin-4(3H)-one, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2011-09-24
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献Catalysis and sulfa drug resistance in dihydropteroate synthase.
Science, 335, 2012
3TYD
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BU of 3tyd by Molmil
Dihydropteroate Synthase in complex with PPi and DHP+
分子名称: 2-amino-6-methylidene-6,7-dihydropteridin-4(3H)-one, Dihydropteroate synthase, PYROPHOSPHATE 2-, ...
著者Yun, M.-K, White, S.W.
登録日2011-09-24
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Catalysis and sulfa drug resistance in dihydropteroate synthase.
Science, 335, 2012
4L3P
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BU of 4l3p by Molmil
Crystal Structure of 2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[2,3-c]pyridin-7-amine bound to TAK1-TAB1
分子名称: 2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[2,3-c]pyridin-7-amine, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera
著者Wang, J, Hornberger, K.R, Crew, A.P, Steinbacher, S, Maskos, K, Moertl, M.
登録日2013-06-06
公開日2013-06-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Discovery and optimization of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1.
Bioorg.Med.Chem.Lett., 23, 2013
4L52
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BU of 4l52 by Molmil
Crystal Structure of 1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}piperidin-1-yl)ethan-1-one bound to TAK1-TAB1
分子名称: 1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}piperidin-1-yl)ethanone, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera
著者Wang, J, Hornberger, K.R, Crew, A.P, Jestel, A, Maskos, K, Moertl, M.
登録日2013-06-10
公開日2013-07-03
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Discovery and optimization of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1.
Bioorg.Med.Chem.Lett., 23, 2013
4L53
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BU of 4l53 by Molmil
Crystal Structure of (1R,4R)-4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-chlorofuro[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}cyclohexan-1-ol bound to TAK1-TAB1
分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, ...
著者Wang, J, Hornberger, K.R, Crew, A.P, Jestel, A, Maskos, K, Moertl, M.
登録日2013-06-10
公開日2013-07-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1: Optimization of kinase selectivity and pharmacokinetics.
Bioorg.Med.Chem.Lett., 23, 2013
5CAC
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BU of 5cac by Molmil
REFINED STRUCTURE OF HUMAN CARBONIC ANHYDRASE II AT 2.0 ANGSTROMS RESOLUTION
分子名称: CARBONIC ANHYDRASE FORM C, SULFITE ION, ZINC ION
著者Lindahl, M, Habash, D, Harrop, S, Helliwell, D.R, Liljas, A.
登録日1991-09-05
公開日1994-01-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Refined structure of human carbonic anhydrase II at 2.0 A resolution.
Proteins, 4, 1988
4NL1
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BU of 4nl1 by Molmil
Crystal structure of B. anthracis DHPS with compound 11: (E)-N-[4-(trifluoromethyl)benzyl]-1-[4-(trifluoromethyl)phenyl]methanimine
分子名称: (E)-N-[4-(trifluoromethyl)benzyl]-1-[4-(trifluoromethyl)phenyl]methanimine, Dihydropteroate Synthase, SULFATE ION
著者Hammoudeh, D.I, White, S.W.
登録日2013-11-13
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification and characterization of an allosteric inhibitory site on dihydropteroate synthase.
Acs Chem.Biol., 9, 2014
4CAC
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BU of 4cac by Molmil
REFINED STRUCTURE OF HUMAN CARBONIC ANHYDRASE II AT 2.0 ANGSTROMS RESOLUTION
分子名称: CARBONIC ANHYDRASE FORM C, ZINC ION
著者Lindahl, M, Habash, D, Harrop, S, Helliwell, D.R, Liljas, A.
登録日1991-09-05
公開日1994-01-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Refined structure of human carbonic anhydrase II at 2.0 A resolution.
Proteins, 4, 1988
5XNT
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BU of 5xnt by Molmil
Structure of CYP106A2 from Bacillus sp. PAMC 23377
分子名称: Cytochrome P450 CYP106, PROTOPORPHYRIN IX CONTAINING FE
著者Lee, C.W, Kim, K.-H, Bikash, D, Park, S.-H, Park, H, Oh, T.-J, Lee, J.H.
登録日2017-05-24
公開日2018-04-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structure and Functional Characterization of a Cytochrome P450 (BaCYP106A2) fromBacillussp. PAMC 23377.
J. Microbiol. Biotechnol., 27, 2017

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