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6GZ7
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Polyamide - DNA complex NMR structure
分子名称: DNA (5'-D(*CP*GP*AP*TP*GP*TP*AP*CP*AP*TP*CP*G)-3'), dimethyl-[3-[3-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-propan-2-ylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]butanoylamino]imidazol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]propyl]azanium
著者Aman, K.
登録日2018-07-03
公開日2018-11-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural and Kinetic Profiling of Allosteric Modulation of Duplex DNA Induced by DNA-Binding Polyamide Analogues.
Chemistry, 25, 2019
3ZLS
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Crystal structure of MEK1 in complex with fragment 6
分子名称: 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, SODIUM ION
著者Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A.
登録日2013-02-04
公開日2013-05-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1.
Bioorg.Med.Chem.Lett., 23, 2013
3ZM4
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Crystal structure of MEK1 in complex with fragment 1
分子名称: 7-chloranyl-6-[(3S)-pyrrolidin-3-yl]oxy-2H-isoquinolin-1-one, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1
著者Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A.
登録日2013-02-05
公開日2013-05-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1.
Bioorg.Med.Chem.Lett., 23, 2013
3ZLY
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Crystal structure of MEK1 in complex with fragment 8
分子名称: 3-AMINO-1H-INDAZOLE-4-CARBONITRILE, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, SODIUM ION
著者Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A.
登録日2013-02-04
公開日2013-05-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1.
Bioorg.Med.Chem.Lett., 23, 2013
3ZLW
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Crystal structure of MEK1 in complex with fragment 3
分子名称: (1R)-1-hydroxy-1-methyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1 MAPK/ERK KINASE 1, MEK 1, ...
著者Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A.
登録日2013-02-04
公開日2013-05-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1.
Bioorg.Med.Chem.Lett., 23, 2013
3ZLX
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Crystal structure of MEK1 in complex with fragment 18
分子名称: 7-choro-6-[(3R)-pyrrolidin-3-ylmethoxy]isoquinolin-1(2H)-one, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1
著者Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A.
登録日2013-02-04
公開日2013-05-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1.
Bioorg.Med.Chem.Lett., 23, 2013
7QIA
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Structure of apo-EleNRMT in complex with two nanobodies at 3.5A
分子名称: Divalent metal cation transporter, Nanobody 1, Nanobody 2
著者Ramanadane, K, Straub, M.S, Dutzler, R, Manatschal, C.
登録日2021-12-14
公開日2021-12-29
最終更新日2022-02-02
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural and functional properties of a magnesium transporter of the SLC11/NRAMP family.
Elife, 11, 2022
7QIC
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Structure of magnesium-bound EleNRMT in complex with two nanobodies at 4.1A
分子名称: Divalent metal cation transporter, MAGNESIUM ION, Nanobody 1, ...
著者Ramanadane, K, Straub, M.S, Dutzler, R, Manatschal, C.
登録日2021-12-14
公開日2021-12-29
最終更新日2022-02-02
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structural and functional properties of a magnesium transporter of the SLC11/NRAMP family.
Elife, 11, 2022
7QJI
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X-Ray Structure of apo-EleNRMT in complex with two Nanobodies at 4.1A
分子名称: Divalent metal cation transporter, Elen-Nanobody-complex
著者Ramanadane, K, Straub, M.S, Dutzler, R, Manatschal, C.
登録日2021-12-16
公開日2022-02-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (4.1 Å)
主引用文献Structural and functional properties of a magnesium transporter of the SLC11/NRAMP family.
Elife, 11, 2022
7QJJ
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X-Ray Structure of a Mn2+ soak of EleNRMT in complex with two Nanobodies at 4.6A
分子名称: Divalent metal cation transporter, Elen-Nb1-Nb2, MANGANESE (II) ION
著者Ramanadane, K, Straub, M.S, Dutzler, R, Manatschal, C.
登録日2021-12-16
公開日2022-02-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (4.6 Å)
主引用文献Structural and functional properties of a magnesium transporter of the SLC11/NRAMP family.
Elife, 11, 2022
8ONT
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Structure of Setaria italica NRAT in complex with a nanobody
分子名称: DIUNDECYL PHOSPHATIDYL CHOLINE, NRAMP related aluminium transporter, Nanobody1
著者Ramanadane, K, Liziczai, M, Markovic, D, Straub, M.S, Rosalen, G.T, Udovcic, A, Dutzler, R, Manatschal, C.
登録日2023-04-03
公開日2023-04-12
最終更新日2023-10-25
実験手法ELECTRON MICROSCOPY (3.66 Å)
主引用文献Structural and functional properties of a plant NRAMP-related aluminum transporter.
Elife, 12, 2023
6IW3
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BU of 6iw3 by Molmil
High resolution structure of Dvl2-DIX Y27W/C80S mutant
分子名称: Segment polarity protein dishevelled homolog DVL-2
著者Yamanishi, K, Shibata, N.
登録日2018-12-04
公開日2019-02-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献High-resolution structure of a Y27W mutant of the Dishevelled2 DIX domain.
Acta Crystallogr F Struct Biol Commun, 75, 2019
6JCK
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Complex structure of Axin-DIX and Dvl2-DIX
分子名称: Axin-1, Segment polarity protein dishevelled homolog DVL-2
著者Yamanishi, K, Shibata, N.
登録日2019-01-29
公開日2020-01-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献A direct heterotypic interaction between the DIX domains of Dishevelled and Axin mediates signaling to beta-catenin.
Sci.Signal., 12, 2019
8DNN
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Crystal structure of neutralizing antibody 80 in complex with SARS-CoV-2 receptor binding domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 80 FAB HEAVY CHAIN, 80 FAB LIGHT CHAIN, ...
著者Muthuraman, K, Kucharska, I, Ivanochko, D, Julien, J.P.
登録日2022-07-11
公開日2023-05-24
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献A multi-specific, multi-affinity antibody platform neutralizes sarbecoviruses and confers protection against SARS-CoV-2 in vivo.
Sci Transl Med, 15, 2023
8DEA
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Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
分子名称: 1-[(3-acetylphenyl)acetyl]-N-(6-bromopyridin-2-yl)-L-prolinamide, Complement factor D, GLYCEROL
著者Raman, K, Babu, Y.S.
登録日2022-06-20
公開日2022-11-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.214 Å)
主引用文献Scaffold hopping via ring opening enables identification of acyclic compounds as new complement Factor D inhibitors.
Bioorg.Med.Chem., 74, 2022
8DG6
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Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
分子名称: 1-{2-[(2S)-2-{[(3-chloro-2-fluorophenyl)methyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}-1H-indazole-3-carboxamide, Complement factor D
著者Raman, K, Babu, Y.S.
登録日2022-06-23
公開日2022-11-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.986 Å)
主引用文献Scaffold hopping via ring opening enables identification of acyclic compounds as new complement Factor D inhibitors.
Bioorg.Med.Chem., 74, 2022
8D95
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Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
分子名称: Complement factor D, N-(6-bromopyridin-2-yl)-1-[(3-cyanophenyl)acetyl]-L-prolinamide
著者Raman, K, Babu, Y.S.
登録日2022-06-09
公開日2022-11-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.166 Å)
主引用文献Scaffold hopping via ring opening enables identification of acyclic compounds as new complement Factor D inhibitors.
Bioorg.Med.Chem., 74, 2022
1V3M
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Crystal structure of F283Y mutant cyclodextrin glycosyltransferase complexed with a pseudo-tetraose derived from acarbose
分子名称: 4,6-dideoxy-alpha-D-xylo-hexopyranose-(1-4)-beta-D-galactopyranose, 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL, CALCIUM ION, ...
著者Kanai, R, Haga, K, Akiba, T, Yamane, K, Harata, K.
登録日2003-11-03
公開日2004-08-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Role of Phe283 in enzymatic reaction of cyclodextrin glycosyltransferase from alkalophilic Bacillus sp.1011: Substrate binding and arrangement of the catalytic site
PROTEIN SCI., 13, 2004
1V3K
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Crystal structure of F283Y mutant cyclodextrin glycosyltransferase
分子名称: CALCIUM ION, Cyclomaltodextrin glucanotransferase
著者Kanai, R, Haga, K, Akiba, T, Yamane, K, Harata, K.
登録日2003-11-03
公開日2004-08-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Role of Phe283 in enzymatic reaction of cyclodextrin glycosyltransferase from alkalophilic Bacillus sp.1011: substrate binding and arrangement of the catalytic site
PROTEIN SCI., 13, 2004
1V3J
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Crystal structure of F283L mutant cyclodextrin glycosyltransferase
分子名称: CALCIUM ION, Cyclomaltodextrin glucanotransferase
著者Kanai, R, Haga, K, Akiba, T, Yamane, K, Harata, K.
登録日2003-11-03
公開日2004-08-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Role of Phe283 in enzymatic reaction of cyclodextrin glycosyltransferase from alkalophilic Bacillus sp.1011: Substrate binding and arrangement of the catalytic site
PROTEIN SCI., 13, 2004
1V3L
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Crystal structure of F283L mutant cyclodextrin glycosyltransferase complexed with a pseudo-tetraose derived from acarbose
分子名称: 4,6-dideoxy-alpha-D-xylo-hexopyranose-(1-4)-alpha-D-glucopyranose, 4,6-dideoxy-alpha-D-xylo-hexopyranose-(1-4)-beta-D-galactopyranose, 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL, ...
著者Kanai, R, Haga, K, Akiba, T, Yamane, K, Harata, K.
登録日2003-11-03
公開日2004-08-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Role of Phe283 in enzymatic reaction of cyclodextrin glycosyltransferase from alkalophilic Bacillus sp.1011: Substrate binding and arrangement of the catalytic site
PROTEIN SCI., 13, 2004
1WP6
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Crystal structure of maltohexaose-producing amylase from alkalophilic Bacillus sp.707.
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Glucan 1,4-alpha-maltohexaosidase, ...
著者Kanai, R, Haga, K, Akiba, T, Yamane, K, Harata, K.
登録日2004-08-31
公開日2004-11-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Biochemical and crystallographic analyses of maltohexaose-producing amylase from alkalophilic Bacillus sp. 707
Biochemistry, 43, 2004
1WPC
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Crystal structure of maltohexaose-producing amylase complexed with pseudo-maltononaose
分子名称: 4,6-dideoxy-alpha-D-xylo-hexopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 4,6-dideoxy-alpha-D-xylo-hexopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-galactopyranose, 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL, ...
著者Kanai, R, Haga, K, Akiba, T, Yamane, K, Harata, K.
登録日2004-09-01
公開日2004-11-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Biochemical and crystallographic analyses of maltohexaose-producing amylase from alkalophilic Bacillus sp. 707
Biochemistry, 43, 2004
1D7F
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CRYSTAL STRUCTURE OF ASPARAGINE 233-REPLACED CYCLODEXTRIN GLUCANOTRANSFERASE FROM ALKALOPHILIC BACILLUS SP. 1011 DETERMINED AT 1.9 A RESOLUTION
分子名称: CALCIUM ION, CYCLODEXTRIN GLUCANOTRANSFERASE
著者Ishii, N, Haga, K, Yamane, K, Harata, K.
登録日1999-10-18
公開日2000-03-17
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of asparagine 233-replaced cyclodextrin glucanotransferase from alkalophilic Bacillus sp. 1011 determined at 1.9 A resolution.
J.Mol.Recog., 13, 2000
1UKQ
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Crystal structure of cyclodextrin glucanotransferase complexed with a pseudo-maltotetraose derived from acarbose
分子名称: 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL, CALCIUM ION, Cyclomaltodextrin glucanotransferase, ...
著者Haga, K, Kanai, R, Sakamoto, O, Harata, K, Yamane, K.
登録日2003-09-01
公開日2004-02-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Effects of Essential Carbohydrate/Aromatic Stacking Interaction with Tyr100 and Phe259 on Substrate Binding of Cyclodextrin Glycosyltransferase from Alkalophilic Bacillus sp. 1011
J.Biochem.(Tokyo), 134, 2003

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