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7SVT
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BU of 7svt by Molmil
Mycobacterium tuberculosis 3-hydroxyl-ACP dehydratase HadAB in complex with 1,3-diarylpyrazolyl-acylsulfonamide inhibitor
分子名称: (3R)-hydroxyacyl-ACP dehydratase subunit HadB, 1,2-ETHANEDIOL, 3-[1-(4-bromophenyl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-(methanesulfonyl)propanamide, ...
著者Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2021-11-19
公開日2022-11-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献1,3-Diarylpyrazolyl-acylsulfonamides Target HadAB/BC Complex in Mycobacterium tuberculosis .
Acs Infect Dis., 8, 2022
1OTN
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BU of 1otn by Molmil
Calcium-binding mutant of the Internalin B LRR domain
分子名称: CALCIUM ION, Internalin B
著者Marino, M, Copp, J, Dramsi, S, Chapman, T, van der Geer, P, Cossart, P, Ghosh, P.
登録日2003-03-21
公開日2004-03-30
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Characterization of the calcium-binding sites of Listeria monocytogenes InlB
Biochem.Biophys.Res.Commun., 316, 2004
1OTM
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BU of 1otm by Molmil
Calcium-binding mutant of the internalin B LRR domain
分子名称: internalin B
著者Marino, M, Copp, J, Dramsi, S, Chapman, T, van der Geer, P, Cossart, P, Ghosh, P.
登録日2003-03-21
公開日2004-03-30
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Characterization of the calcium-binding sites of Listeria monocytogenes InlB
Biochem.Biophys.Res.Commun., 316, 2004
122D
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BU of 122d by Molmil
DNA HELIX STRUCTURE AND REFINEMENT ALGORITHM: COMPARISON OF MODELS FOR D(CCAGGCM==5==CTGG) DERIVED FROM NUCLSQ, TNT, AND X-PLOR
分子名称: DNA (5'-D(*CP*CP*AP*GP*GP*CP*(5CM)P*TP*GP*G)-3')
著者Hahn, M, Heinemann, U.
登録日1993-05-03
公開日1993-10-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献DNA helix structure and refinement algorithm: comparison of models for d(CCAGGCm5CTGG) derived from NUCLSQ, TNT and X-PLOR.
Acta Crystallogr.,Sect.D, 49, 1993
123D
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BU of 123d by Molmil
DNA HELIX STRUCTURE AND REFINEMENT ALGORITHM: COMPARISON OF MODELS FOR D(CCAGGCM==5==CTGG) DERIVED FROM NUCLSQ, TNT, AND X-PLOR
分子名称: DNA (5'-D(*CP*CP*AP*GP*GP*CP*(5CM)P*TP*GP*G)-3')
著者Hahn, M, Heinemann, U.
登録日1993-05-03
公開日1993-10-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献DNA helix structure and refinement algorithm: comparison of models for d(CCAGGCm5CTGG) derived from NUCLSQ, TNT and X-PLOR.
Acta Crystallogr.,Sect.D, 49, 1993
7ALZ
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BU of 7alz by Molmil
GqqA- a novel type of quorum quenching acylases
分子名称: PHENYLALANINE, Prephenate dehydratase
著者Werner, N, Betzel, C.
登録日2020-10-07
公開日2021-08-04
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献The Komagataeibacter europaeus GqqA is the prototype of a novel bifunctional N-Acyl-homoserine lactone acylase with prephenate dehydratase activity.
Sci Rep, 11, 2021
7AM0
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BU of 7am0 by Molmil
GqqA- a novel type of quorum quenching acylases
分子名称: PHENYLALANINE, Prephenate dehydratase
著者Werner, N, Betzel, C.
登録日2020-10-07
公開日2021-08-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Komagataeibacter europaeus GqqA is the prototype of a novel bifunctional N-Acyl-homoserine lactone acylase with prephenate dehydratase activity.
Sci Rep, 11, 2021
1OTO
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BU of 1oto by Molmil
Calcium-binding mutant of the internalin B LRR domain
分子名称: CALCIUM ION, Internalin B
著者Marino, M, Copp, J, Dramsi, S, Chapman, T, van der Geer, P, Cossart, P, Ghosh, P.
登録日2003-03-21
公開日2004-03-30
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Characterization of the calcium-binding sites of Listeria monocytogenes InlB
Biochem.Biophys.Res.Commun., 316, 2004
4EZH
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BU of 4ezh by Molmil
the crystal structure of KDM6B bound with H3K27me3 peptide
分子名称: Lysine-specific demethylase 6B, N-OXALYLGLYCINE, NICKEL (II) ION, ...
著者Cheng, Z.J, Patel, D.J.
登録日2012-05-02
公開日2012-08-08
最終更新日2017-08-09
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献A selective jumonji H3K27 demethylase inhibitor modulates the proinflammatory macrophage response.
Nature, 488, 2012
4EZ4
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BU of 4ez4 by Molmil
free KDM6B structure
分子名称: Lysine-specific demethylase 6B, N-OXALYLGLYCINE, NICKEL (II) ION, ...
著者Cheng, Z.J, Patel, D.J.
登録日2012-05-02
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献A selective jumonji H3K27 demethylase inhibitor modulates the proinflammatory macrophage response.
Nature, 488, 2012
7LSZ
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BU of 7lsz by Molmil
Hsp90a N-terminal inhibitor
分子名称: Heat shock protein HSP 90-alpha, {3-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfanyl]-4-hydroxyphenyl}(1,3-dihydro-2H-isoindol-2-yl)methanone
著者Balch, M, Peng, S, Deng, J, Matts, R.
登録日2021-02-18
公開日2021-03-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Selective Inhibition of the Hsp90 alpha Isoform.
Angew.Chem.Int.Ed.Engl., 60, 2021
7LT0
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BU of 7lt0 by Molmil
Hsp90a N-terminal inhibitor
分子名称: (1,3-dihydro-2H-isoindol-2-yl){3-[(3,4-dimethylphenyl)sulfanyl]-4-hydroxyphenyl}methanone, Heat shock protein HSP 90-alpha
著者Balch, M, Peng, S, Deng, J, Matts, R.
登録日2021-02-18
公開日2021-03-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.697 Å)
主引用文献Selective Inhibition of the Hsp90 alpha Isoform.
Angew.Chem.Int.Ed.Engl., 60, 2021
4EYU
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BU of 4eyu by Molmil
The free structure of the mouse C-terminal domain of KDM6B
分子名称: Lysine-specific demethylase 6B, N-OXALYLGLYCINE, NICKEL (II) ION, ...
著者Cheng, Z.J, Patel, D.J.
登録日2012-05-01
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A selective jumonji H3K27 demethylase inhibitor modulates the proinflammatory macrophage response.
Nature, 488, 2012
4JQH
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BU of 4jqh by Molmil
Crystal structure of a new sGC activator (analogue of BAY 58-2667) bound to nostoc H-NOX domain
分子名称: 4-{[(4-carboxybutyl)(2-{2-[(4'-phenoxybiphenyl-4-yl)methoxy]phenyl}ethyl)amino]methyl}benzoic acid, Alr2278 protein, MALONIC ACID
著者Kumar, V, van den Akker, F.
登録日2013-03-20
公開日2013-11-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Insights into soluble guanylyl cyclase activation derived from improved heme-mimetics.
J.Med.Chem., 56, 2013
4NY3
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BU of 4ny3 by Molmil
Human PTPA in complex with peptide
分子名称: GLYCEROL, SULFATE ION, Serine/threonine-protein phosphatase 2A activator, ...
著者Loew, C, Quistgaard, E.M, Nordlund, P.
登録日2013-12-10
公開日2014-07-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.797 Å)
主引用文献Structural basis for PTPA interaction with the invariant C-terminal tail of PP2A.
Biol.Chem., 395, 2014
353D
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BU of 353d by Molmil
CRYSTAL STRUCTURE OF DOMAIN A OF THERMUS FLAVUS 5S RRNA AND THE CONTRIBUTION OF WATER MOLECULES TO ITS STRUCTURE
分子名称: RNA (5'-R(*AP*UP*CP*CP*CP*CP*CP*GP*UP*GP*CP*C)-3'), RNA (5'-R(*GP*GP*UP*GP*CP*GP*GP*GP*GP*GP*AP*U)-3')
著者Betzel, C, Lorenz, S, Furste, J.P, Bald, R, Zhang, M, Schneider, T.R, Wilson, K.S, Erdmann, V.A.
登録日1997-09-29
公開日1997-11-10
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of domain A of Thermus flavus 5S rRNA and the contribution of water molecules to its structure.
FEBS Lett., 351, 1994
7JU6
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BU of 7ju6 by Molmil
Structure of RET protein tyrosine kinase in complex with selpercatinib
分子名称: FORMIC ACID, Proto-oncogene tyrosine-protein kinase receptor Ret, Selpercatinib
著者Terzyan, S.S, Shen, T, Wu, J, Mooers, B.H.M.
登録日2020-08-19
公開日2020-11-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structural basis of acquired resistance to selpercatinib and pralsetinib mediated by non-gatekeeper RET mutations.
Ann Oncol, 32, 2021
7JU5
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BU of 7ju5 by Molmil
Structure of RET protein tyrosine kinase in complex with pralsetinib
分子名称: FORMIC ACID, Pralsetinib, Proto-oncogene tyrosine-protein kinase receptor Ret
著者Terzyan, S.S, Shen, T, Wu, J, Mooers, B.H.M.
登録日2020-08-19
公開日2020-11-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis of acquired resistance to selpercatinib and pralsetinib mediated by non-gatekeeper RET mutations.
Ann Oncol, 32, 2021
5DU8
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BU of 5du8 by Molmil
Crystal structure of M. tuberculosis EchA6 bound to GSK572A
分子名称: (5R,7S)-5-(4-ethylphenyl)-N-[(5-fluoropyridin-2-yl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, Probable enoyl-CoA hydratase echA6
著者Cox, J.A.G, Besra, G.S, Futterer, K.
登録日2015-09-18
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria.
Nat Microbiol, 1, 2016
5DTP
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BU of 5dtp by Molmil
Crystal structure of M. tuberculosis EchA6 (apo, trigonal crystal form)
分子名称: Probable enoyl-CoA hydratase echA6
著者Cox, J.A.G, Besra, G.S, Futterer, K.
登録日2015-09-18
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria.
Nat Microbiol, 1, 2016
5DU4
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BU of 5du4 by Molmil
Crystal structure of M. tuberculosis EchA6 bound to ligand GSK366A
分子名称: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, Probable enoyl-CoA hydratase echA6
著者Cox, J.A.G, Besra, G.S, Futterer, K.
登録日2015-09-18
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria.
Nat Microbiol, 1, 2016
5DTW
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BU of 5dtw by Molmil
Crystal structure of M. tuberculosis EchA6 bound to C20-CoA
分子名称: Arachinoyl-CoA, enoyl-CoA hydratase echA6
著者Cox, J.A.G, Besra, G.S, Futterer, K.
登録日2015-09-18
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.439 Å)
主引用文献THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria.
Nat Microbiol, 1, 2016
5DUF
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BU of 5duf by Molmil
Crystal structure of M. tuberculosis EchA6 bound to ligand GSK729A
分子名称: (5R,7S)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid, Probable enoyl-CoA hydratase echA6
著者Cox, J.A.G, Besra, G.S, Futterer, K.
登録日2015-09-18
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria.
Nat Microbiol, 1, 2016
5DUC
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BU of 5duc by Molmil
Crystal structure of M. tuberculosis EchA6 bound to ligand GSK951A
分子名称: (5R,7S)-N-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, Probable enoyl-CoA hydratase echA6
著者Cox, J.A.G, Besra, G.S, Futterer, K.
登録日2015-09-18
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.704 Å)
主引用文献THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria.
Nat Microbiol, 1, 2016
2NUV
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BU of 2nuv by Molmil
Crystal structure of the complex of C-terminal lobe of bovine lactoferrin with atenolol at 2.25 A resolution
分子名称: 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, ...
著者Mir, R, Singh, N, Sinha, M, Sharma, S, Kaur, P, Singh, T.P.
登録日2006-11-10
公開日2006-12-26
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structure of the complex of C-terminal lobe of bovine lactoferrin with atenolol at 2.25 A resolution
To be Published

222036

件を2024-07-03に公開中

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