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7EHW
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BU of 7ehw by Molmil
BRD4-BD1 in complex with LT-642-602
分子名称: 1-[4-ethyl-2-methyl-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-pyrrol-3-yl]ethanone, Bromodomain-containing protein 4
著者Zheng, W, Kong, B, Tang, W, Zhu, J, Chen, Y.
登録日2021-03-30
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献BRD4-BD1 in complex with LT-642-602
To Be Published
7EHY
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BU of 7ehy by Molmil
BRD4-BD1 in complex with LT-448-138
分子名称: 1-[2,4-dimethyl-5-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]ethanone, Bromodomain-containing protein 4
著者Zheng, W, Kong, B, Tang, W, Zhu, J, Chen, Y.
登録日2021-03-30
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献BRD4-BD1 in complex with LT-642-602
To Be Published
7EIG
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BU of 7eig by Molmil
BRD4-BD1 in complex with LT-730-903
分子名称: 1-[5-(5-azanyl-1H-benzimidazol-2-yl)-2-methyl-4-phenyl-1H-pyrrol-3-yl]ethanone, Bromodomain-containing protein 4
著者Zheng, W, Kong, B, Tang, W, Zhu, J, Chen, Y.
登録日2021-03-31
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献BRD4-BD1 in complex with LT-730-903
To Be Published
7EIK
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BU of 7eik by Molmil
RD4-BD1 in complex with LT-872-297
分子名称: 1-[2-methyl-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4-(1-methylpyrazol-4-yl)-1H-pyrrol-3-yl]ethanone, Bromodomain-containing protein 4
著者Zheng, W, Kong, B, Tang, W, Zhu, J, Chen, Y.
登録日2021-03-31
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献RD4-BD1 in complex with LT-872-297
To Be Published
7EIL
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BRD4-BD1 in complex with LT-909-110
分子名称: Bromodomain-containing protein 4, N-[4-[4-ethanoyl-5-methyl-2-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]phenyl]ethanamide
著者Zheng, W, Kong, B, Tang, W, Zhu, J, Chen, Y.
登録日2021-03-31
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of 1-(5-(1H-benzo[d]imidazole-2-yl)-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one derivatives as novel and potent bromodomain and extra-terminal (BET) inhibitors with anticancer efficacy
Eur.J.Med.Chem., 227, 2022
6IXL
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BU of 6ixl by Molmil
Crystal structure of isocitrate dehydrogenase from Ostreococcus tauri
分子名称: GLYCEROL, Isocitrate dehydrogenase, SULFATE ION
著者Zhu, G.P, Tang, W.G, Wang, P.
登録日2018-12-11
公開日2019-12-18
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structures of NAD + -linked isocitrate dehydrogenase from the green alga Ostreococcus tauri and its evolutionary relationship with eukaryotic NADP + -linked homologs.
Arch.Biochem.Biophys., 708, 2021
6IXN
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BU of 6ixn by Molmil
Crystal structure of isocitrate dehydrogenase from Ostreococcus tauri in complex with NAD+ and citrate
分子名称: CITRATE ANION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Zhu, G.P, Tang, W.G, Wang, P.
登録日2018-12-11
公開日2019-12-18
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Crystal structures of NAD + -linked isocitrate dehydrogenase from the green alga Ostreococcus tauri and its evolutionary relationship with eukaryotic NADP + -linked homologs.
Arch.Biochem.Biophys., 708, 2021
5AGK
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BU of 5agk by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with (2S)-2-Amino-5-(2-(methylsulfinyl)acetimidamido) pentanoic acid
分子名称: (2S)-2-AMINO-5-(2-(METHYLSULFINYL)ACETIMIDAMIDO)PENTANOIC ACID, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2015-02-02
公開日2015-04-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid.
J.Am.Chem.Soc., 137, 2015
4ZOQ
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BU of 4zoq by Molmil
Crystal Structure of a Lanthipeptide Protease
分子名称: Intracellular serine protease
著者Dong, S.H, Nair, S.K.
登録日2015-05-06
公開日2016-03-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Applications of the class II lanthipeptide protease LicP for sequence-specific, traceless peptide bond cleavage.
Chem Sci, 6, 2015
5AGM
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BU of 5agm by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-oxoacetimidamido)pentanoic acid
分子名称: (S)-2-AMINO-5-(2-OXOACETIMIDAMIDO)PENTANOIC ACID, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2015-02-02
公開日2015-04-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid.
J.Am.Chem.Soc., 137, 2015
5AGN
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BU of 5agn by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-hydroxyacetimidamido)pentanoic acid
分子名称: (S)-2-AMINO-5-(2-HYDROXYACETIMIDAMIDO)PENTANOIC ACID, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2015-02-02
公開日2015-04-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid.
J.Am.Chem.Soc., 137, 2015
5AGL
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BU of 5agl by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-(methylsulfonyl)acetimidamido)pentanoic acid
分子名称: (S)-2-Amino-5-(2-(methylsulfonyl)acetimidamido)pentanoic acid, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2015-02-02
公開日2015-04-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid.
J.Am.Chem.Soc., 137, 2015
5AGO
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BU of 5ago by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-mercaptoacetimidamido)pentanoic acid
分子名称: (S)-2-AMINO-5-(2-MERCAPTOACETIMIDAMIDO)PENTANOIC ACID, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2015-02-02
公開日2015-04-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid.
J.Am.Chem.Soc., 137, 2015
5AGP
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BU of 5agp by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-mercaptoacetimidamido)pentanoic acid
分子名称: (S)-2-AMINO-5-(2-MERCAPTOACETIMIDAMIDO)PENTANOIC ACID, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2015-02-02
公開日2015-04-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid.
J.Am.Chem.Soc., 137, 2015
6IXT
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BU of 6ixt by Molmil
Crystal structure of isocitrate dehydrogenase from Ostreococcus tauri in complex with NAD+ and Mg2+
分子名称: GLYCEROL, Isocitrate dehydrogenase, MAGNESIUM ION, ...
著者Zhu, G.P, Tang, W.G, Wang, P.
登録日2018-12-12
公開日2019-12-18
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Crystal structures of NAD + -linked isocitrate dehydrogenase from the green alga Ostreococcus tauri and its evolutionary relationship with eukaryotic NADP + -linked homologs.
Arch.Biochem.Biophys., 708, 2021
6KKH
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BU of 6kkh by Molmil
Crystal structure of the oxalate bound malyl-CoA lyase from Roseiflexus castenholzii
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HpcH/HpaI aldolase, MAGNESIUM ION, ...
著者Tang, W.R, Wang, Z.G, Zhang, C.Y, Wang, C.
登録日2019-07-25
公開日2019-09-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献The C-terminal domain conformational switch revealed by the crystal structure of malyl-CoA lyase from Roseiflexus castenholzii.
Biochem.Biophys.Res.Commun., 518, 2019
6KIN
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BU of 6kin by Molmil
Crystal structure of the tri-functional malyl-CoA lyase from Roseiflexus castenholzii
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HpcH/HpaI aldolase
著者Tang, W.R, Zhang, C.Y, Wang, C, Xu, X.L.
登録日2019-07-19
公開日2019-09-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.527 Å)
主引用文献The C-terminal domain conformational switch revealed by the crystal structure of malyl-CoA lyase from Roseiflexus castenholzii.
Biochem.Biophys.Res.Commun., 518, 2019
7E2W
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BU of 7e2w by Molmil
Crystal structure of isocitrate dehydrogenase from Ostreococcus tauri in complex with isocitrate and magnesium(II)
分子名称: CITRATE ANION, GLYCEROL, ISOCITRIC ACID, ...
著者Zhu, G.P, Tang, W.G, Wang, P.
登録日2021-02-07
公開日2021-05-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of NAD + -linked isocitrate dehydrogenase from the green alga Ostreococcus tauri and its evolutionary relationship with eukaryotic NADP + -linked homologs.
Arch.Biochem.Biophys., 708, 2021
6VJQ
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BU of 6vjq by Molmil
Solution NMR structure of Prochlorosin 2.1 produced by Prochlorococcus MIT 9313
分子名称: Prochlorosin 2.1
著者Bobeica, S.C, van der Donk, W.A, Zhu, L.
登録日2020-01-16
公開日2020-07-08
最終更新日2024-07-10
実験手法SOLUTION NMR
主引用文献Structural determinants of macrocyclization in substrate-controlled lanthipeptide biosynthetic pathways.
Chem Sci, 11, 2020
5D65
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X-RAY STRUCTURE OF MACROPHAGE INFLAMMATORY PROTEIN-1 ALPHA (CCL3) WITH HEPARIN COMPLEX
分子名称: 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, C-C motif chemokine 3, CHLORIDE ION, ...
著者Liang, W.G, Hwang, D.Y, Zulueta, M.M, Hung, S.C, Tang, W.
登録日2015-08-11
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural basis for oligomerization and glycosaminoglycan binding of CCL5 and CCL3.
Proc.Natl.Acad.Sci.USA, 113, 2016
5KQZ
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BU of 5kqz by Molmil
Protease E35D-CaP2
分子名称: N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide, Protease
著者Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E.
登録日2016-07-06
公開日2016-09-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
4IFH
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BU of 4ifh by Molmil
Crystal structure of human insulin degrading enzyme (IDE) in complex with compound BDM44619
分子名称: Insulin-degrading enzyme, N-({1-[(2R)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1H-1,2,3-triazol-4-yl}methyl)-4-methylbenzamide, ZINC ION
著者Liang, W.G, Guo, Q, Deprez, R, Deprez, B, Tang, W.
登録日2012-12-14
公開日2013-12-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.286 Å)
主引用文献Catalytic site inhibition of insulin-degrading enzyme by a small molecule induces glucose intolerance in mice.
Nat Commun, 6, 2015
6VLJ
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BU of 6vlj by Molmil
Solution NMR of Prochlorosin 2.8 produced by Prochlorococcus MIT 9313
分子名称: Prochlorosin 2.8
著者Bobeica, S.C, Acedo, J.Z, van der Donk, W.A, Zhu, L.
登録日2020-01-24
公開日2020-07-08
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural determinants of macrocyclization in substrate-controlled lanthipeptide biosynthetic pathways.
Chem Sci, 11, 2020
6XOS
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BU of 6xos by Molmil
CryoEM structure of human presequence protease in partial open state 1
分子名称: Presequence protease, mitochondrial
著者Liang, W.G, Zhao, M, Tang, W.
登録日2020-07-07
公開日2021-07-07
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural basis for the mechanisms of human presequence protease conformational switch and substrate recognition.
Nat Commun, 13, 2022
6XOU
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CryoEM structure of human presequence protease in open state
分子名称: Presequence protease, mitochondrial
著者Liang, W.G, Zhao, M, Tang, W.
登録日2020-07-07
公開日2021-07-07
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structural basis for the mechanisms of human presequence protease conformational switch and substrate recognition.
Nat Commun, 13, 2022

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