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PDB: 43 件
1LU0
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BU of 1lu0 by Molmil
Atomic Resolution Structure of Squash Trypsin Inhibitor: Unexpected Metal Coordination
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, GLYCEROL, SULFATE ION, ...
著者Thaimattam, R, Tykarska, E, Bierzynski, A, Sheldrick, G.M, Jaskolski, M.
登録日2002-05-21
公開日2002-08-28
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Atomic resolution structure of squash trypsin inhibitor: unexpected metal coordination.
Acta Crystallogr.,Sect.D, 58, 2002
6OBA
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BU of 6oba by Molmil
The beta2 adrenergic receptor bound to a negative allosteric modulator
分子名称: (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, 6-bromo-N~2~-phenylquinazoline-2,4-diamine, Beta-2 adrenergic receptor,Lysozyme,Beta-2 adrenergic receptor, ...
著者Liu, X, Stobel, A, Kaindl, J, Dengler, D, ClarK, M, Mahoney, J, Korczynska, M, Matt, R.A, Hubner, H, Xu, X, Stanek, M, Hirata, K, Shoichet, B, Sunahara, R, Gmeiner, R, Kobilka, B.K.
登録日2019-03-20
公開日2020-03-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献An allosteric modulator binds to a conformational hub in the beta2adrenergic receptor.
Nat.Chem.Biol., 16, 2020
4U14
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BU of 4u14 by Molmil
Structure of the M3 muscarinic acetylcholine receptor bound to the antagonist tiotropium crystallized with disulfide-stabilized T4 lysozyme (dsT4L)
分子名称: (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane, Muscarinic acetylcholine receptor M3,Endolysin,Muscarinic acetylcholine receptor M3
著者Thorsen, T.S, Matt, R.A, Weis, W.I, Kobilka, B.K.
登録日2014-07-15
公開日2014-11-26
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.57 Å)
主引用文献Modified T4 Lysozyme Fusion Proteins Facilitate G Protein-Coupled Receptor Crystallogenesis.
Structure, 22, 2014
4U15
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BU of 4u15 by Molmil
M3-mT4L receptor bound to tiotropium
分子名称: (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, D(-)-TARTARIC ACID, ...
著者Thorsen, T.S, Matt, R, Weis, W.I, Kobilka, B.
登録日2014-07-15
公開日2014-11-26
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Modified T4 Lysozyme Fusion Proteins Facilitate G Protein-Coupled Receptor Crystallogenesis.
Structure, 22, 2014
4U16
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BU of 4u16 by Molmil
M3-mT4L receptor bound to NMS
分子名称: D(-)-TARTARIC ACID, Muscarinic acetylcholine receptor M3,Lysozyme,Muscarinic acetylcholine receptor M3, N-methyl scopolamine
著者Thorsen, T.S, Matt, R, Weis, W.I, Kobilka, B.
登録日2014-07-15
公開日2014-11-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Modified T4 Lysozyme Fusion Proteins Facilitate G Protein-Coupled Receptor Crystallogenesis.
Structure, 22, 2014
7RY1
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BU of 7ry1 by Molmil
human Hsp90_MC domain structure
分子名称: Heat shock protein HSP 90-alpha, N-[2-(1-MALEIMIDYL)ETHYL]-7-DIETHYLAMINOCOUMARIN-3-CARBOXAMIDE
著者Peng, S, Deng, J, Matts, R.
登録日2021-08-24
公開日2022-05-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.523 Å)
主引用文献Crystal structure of the middle and C-terminal domains of Hsp90 alpha labeled with a coumarin derivative reveals a potential allosteric binding site as a drug target.
Acta Crystallogr D Struct Biol, 78, 2022
7U8W
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BU of 7u8w by Molmil
hTRAP1 with inhibitors
分子名称: Heat shock protein 75 kDa, mitochondrial, [5-(4-fluoro-2H-isoindole-2-carbonyl)-2-hydroxyphenyl](5-fluoro-2H-isoindol-2-yl)methanone
著者Deng, J, Matts, R, Peng, S.
登録日2022-03-09
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.706 Å)
主引用文献Elucidation of novel TRAP1-Selective inhibitors that regulate mitochondrial processes.
Eur.J.Med.Chem., 258, 2023
7U8X
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BU of 7u8x by Molmil
hTRAP1 with inhibitors
分子名称: Heat shock protein 75 kDa, mitochondrial, [5-(4-fluoro-2H-isoindole-2-carbonyl)-2-hydroxyphenyl](5-methoxy-2H-isoindol-2-yl)methanone
著者Deng, J, Matts, R, Peng, S.
登録日2022-03-09
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Elucidation of novel TRAP1-Selective inhibitors that regulate mitochondrial processes.
Eur.J.Med.Chem., 258, 2023
7U8V
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BU of 7u8v by Molmil
hTRAP1 with inhibitors
分子名称: (4-hydroxy-1,3-phenylene)bis[(2H-isoindol-2-yl)methanone], Heat shock protein 75 kDa, mitochondrial
著者Deng, J, Matts, R, Peng, S.
登録日2022-03-09
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.448 Å)
主引用文献Elucidation of novel TRAP1-Selective inhibitors that regulate mitochondrial processes.
Eur.J.Med.Chem., 258, 2023
7U8U
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BU of 7u8u by Molmil
hTRAP1 with inhibitors
分子名称: Heat shock protein 75 kDa, mitochondrial, [2-hydroxy-5-(2H-isoindole-2-carbonyl)phenyl]{5-[3-(triphenyl-lambda~5~-phosphanyl)propoxy]-2H-isoindol-2-yl}methanone
著者Deng, J, Matts, R, Peng, S.
登録日2022-03-09
公開日2023-08-16
実験手法X-RAY DIFFRACTION (3.065 Å)
主引用文献Elucidation of novel TRAP1-Selective inhibitors that regulate mitochondrial processes.
Eur.J.Med.Chem., 258, 2023
7RY0
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BU of 7ry0 by Molmil
human Hsp90_MC domain structure
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, Heat shock protein HSP 90-alpha
著者Peng, S, Deng, J, Matts, R.
登録日2021-08-24
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis of the key residue W320 responsible for Hsp90 conformational change.
J.Biomol.Struct.Dyn., 2022
7RXZ
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BU of 7rxz by Molmil
human Hsp90_MC domain structure
分子名称: Heat shock protein HSP 90-alpha
著者Peng, S, Deng, J, Matts, R.
登録日2021-08-24
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.152 Å)
主引用文献Structural basis of the key residue W320 responsible for Hsp90 conformational change.
J.Biomol.Struct.Dyn., 2022
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
5UCJ
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BU of 5ucj by Molmil
Hsp90b N-terminal domain with inhibitors
分子名称: (5-fluoroisoindolin-2-yl)(4-hydroxy-5-isopropylbenzo[d]isoxazol-7-yl)methanone, DIMETHYL SULFOXIDE, Heat shock protein HSP 90-beta
著者Peng, S, Balch, M, Matts, R, Deng, J.
登録日2016-12-22
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.693 Å)
主引用文献Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor.
Nat Commun, 9, 2018
5UCI
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BU of 5uci by Molmil
Hsp90b N-terminal domain with inhibitors
分子名称: (2,4-Dihydroxy-3-(hydroxymethyl)-5-isopropylphenyl)(isoindolin-2-yl)methanone, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Peng, S, Balch, M, Matts, R, Deng, J.
登録日2016-12-22
公開日2018-01-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor.
Nat Commun, 9, 2018
5UCH
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BU of 5uch by Molmil
Hsp90b N-terminal domain with inhibitors
分子名称: 2-(5-Hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylphenyl)acetonitrile, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Peng, S, Balch, M, Matts, R, Deng, J.
登録日2016-12-22
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.654 Å)
主引用文献Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor.
Nat Commun, 9, 2018
5UC4
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BU of 5uc4 by Molmil
Hsp90b N-terminal domain with inhibitors
分子名称: 5-Hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylbenzaldehyde, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Deng, J, Peng, S, Balch, M, Matts, R.
登録日2016-12-21
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor.
Nat Commun, 9, 2018
7UR3
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BU of 7ur3 by Molmil
Hsp90 alpha inhibitor
分子名称: (5-fluoro-1,3-dihydro-2H-isoindol-2-yl){4-hydroxy-3-[(2S)-2-hydroxy-5-phenylpentan-2-yl]phenyl}methanone, Heat shock protein HSP 90-alpha
著者Deng, J, Peng, S, Balch, M, Matts, R.
登録日2022-04-21
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-Activity Relationship Study of Tertiary Alcohol Hsp90 alpha-Selective Inhibitors with Novel Binding Mode.
Acs Med.Chem.Lett., 13, 2022
4FNP
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BU of 4fnp by Molmil
Crystal structure of GH36 alpha-galactosidase AgaA A355E from Geobacillus stearothermophilus
分子名称: Alpha-galactosidase AgaA, SULFATE ION
著者Merceron, R, Foucault, M, Haser, R, Mattes, R, Watzlawick, H, Gouet, P.
登録日2012-06-20
公開日2012-10-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.803 Å)
主引用文献The molecular mechanism of the thermostable alpha-galactosidases AgaA and AgaB explained by X-ray crystallography and mutational studies
J.Biol.Chem., 287, 2012
4FNS
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Crystal structure of GH36 alpha-galactosidase AgaA A355E from Geobacillus stearothermophilus in complex with 1-deoxygalactonojirimycin
分子名称: (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, 1,2-ETHANEDIOL, Alpha-galactosidase AgaA, ...
著者Merceron, R, Foucault, M, Haser, R, Mattes, R, Watzlawick, H, Gouet, P.
登録日2012-06-20
公開日2012-10-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The molecular mechanism of the thermostable alpha-galactosidases AgaA and AgaB explained by X-ray crystallography and mutational studies
J.Biol.Chem., 287, 2012
4FNT
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Crystal structure of GH36 alpha-galactosidase AgaA A355E D548N from Geobacillus stearothermophilus in complex with raffinose
分子名称: Alpha-galactosidase AgaA, alpha-D-galactopyranose-(1-6)-alpha-D-glucopyranose-(1-2)-beta-D-fructofuranose
著者Merceron, R, Foucault, M, Haser, R, Mattes, R, Watzlawick, H, Gouet, P.
登録日2012-06-20
公開日2012-10-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The molecular mechanism of the thermostable alpha-galactosidases AgaA and AgaB explained by X-ray crystallography and mutational studies
J.Biol.Chem., 287, 2012
4FNQ
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Crystal structure of GH36 alpha-galactosidase AgaB from Geobacillus stearothermophilus
分子名称: 1,2-ETHANEDIOL, Alpha-galactosidase AgaB
著者Merceron, R, Foucault, M, Haser, R, Mattes, R, Watzlawick, H, Gouet, P.
登録日2012-06-20
公開日2012-10-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The molecular mechanism of the thermostable alpha-galactosidases AgaA and AgaB explained by X-ray crystallography and mutational studies
J.Biol.Chem., 287, 2012
4FNU
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BU of 4fnu by Molmil
Crystal structure of GH36 alpha-galactosidase AgaA A355E D478A from Geobacillus stearothermophilus in complex with stachyose
分子名称: Alpha-galactosidase AgaA, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose-(1-6)-alpha-D-galactopyranose-(1-6)-alpha-D-galactopyranose
著者Merceron, R, Foucault, M, Haser, R, Mattes, R, Watzlawick, H, Gouet, P.
登録日2012-06-20
公開日2012-10-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献The molecular mechanism of the thermostable alpha-galactosidases AgaA and AgaB explained by X-ray crystallography and mutational studies
J.Biol.Chem., 287, 2012
4FNR
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BU of 4fnr by Molmil
Crystal structure of GH36 alpha-galactosidase AgaA from Geobacillus stearothermophilus
分子名称: Alpha-galactosidase AgaA
著者Merceron, R, Foucault, M, Haser, R, Mattes, R, Watzlawick, H, Gouet, P.
登録日2012-06-20
公開日2012-10-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The molecular mechanism of the thermostable alpha-galactosidases AgaA and AgaB explained by X-ray crystallography and mutational studies
J.Biol.Chem., 287, 2012

 

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