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7DZ9
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BU of 7dz9 by Molmil
MbnABC complex
分子名称: FE (III) ION, MbnA, MbnB, ...
著者Chao, D, Dan, Z, Yijun, G, Wei, C.
登録日2021-01-25
公開日2022-03-16
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure and catalytic mechanism of the MbnBC holoenzyme required for methanobactin biosynthesis.
Cell Res., 32, 2022
5XZ9
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Crystal Structure of Phosphofructokinase from Staphylococcus aureus in complex with adenylylimidodiphosphate, the ATP analogue
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent 6-phosphofructokinase, GLYCEROL
著者Wang, C.L, Tian, T, Zang, J.Y.
登録日2017-07-12
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Insights into the Regulation of Staphylococcus aureus Phosphofructokinase by Tetramer-Dimer Conversion.
Biochemistry, 57, 2018
5XZ7
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Crystal Structure of Phosphofructokinase from Staphylococcus aureus in complex with adenylylimidodiphosphate, the ATP analogue
分子名称: 6-O-phosphono-beta-D-fructofuranose, ATP-dependent 6-phosphofructokinase, DI(HYDROXYETHYL)ETHER, ...
著者Wang, C.L, Tian, T, Zang, J.Y.
登録日2017-07-11
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Insights into the Regulation of Staphylococcus aureus Phosphofructokinase by Tetramer-Dimer Conversion.
Biochemistry, 57, 2018
4R68
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Lactate Dehydrogenase in complex with inhibitor compound 31
分子名称: (1S)-1-phenylethyl (4-chloro-3-{[(4S)-4-(2,6-dichlorophenyl)-2-hydroxy-6-oxocyclohex-1-en-1-yl]sulfanyl}phenyl)acetate, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Eigenbrot, C, Ultsch, M.
登録日2014-08-22
公開日2014-12-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.112 Å)
主引用文献Optimization of 5-(2,6-dichlorophenyl)-3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 25, 2014
5XZA
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BU of 5xza by Molmil
Crystal Structure of Phosphofructokinase from Staphylococcus aureus in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent 6-phosphofructokinase, CITRATE ANION, ...
著者Wang, C.L, Tian, T, Zang, J.Y.
登録日2017-07-12
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Insights into the Regulation of Staphylococcus aureus Phosphofructokinase by Tetramer-Dimer Conversion.
Biochemistry, 57, 2018
5XZ8
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Crystal Structure of Phosphofructokinase from Staphylococcus aureus in complex with adenylylimidodiphosphate (the ATP analog) and fructose-6-phosphate
分子名称: 6-O-phosphono-beta-D-fructofuranose, ATP-dependent 6-phosphofructokinase, GLYCEROL, ...
著者Wang, C.L, Tian, T, Zang, J.Y.
登録日2017-07-11
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Insights into the Regulation of Staphylococcus aureus Phosphofructokinase by Tetramer-Dimer Conversion.
Biochemistry, 57, 2018
5XZ6
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BU of 5xz6 by Molmil
Crystal Structure of Phosphofructokinase from Staphylococcus aureus in complex with adenylylimidodiphosphate, the ATP analogue
分子名称: ATP-dependent 6-phosphofructokinase, GLYCEROL, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Wang, C.L, Tian, T, Zang, J.Y.
登録日2017-07-11
公開日2019-02-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Insights into the Regulation of Staphylococcus aureus Phosphofructokinase by Tetramer-Dimer Conversion.
Biochemistry, 57, 2018
7FC0
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Reconstitution of MbnABC complex from Rugamonas rubra ATCC-43154 (GroupIII)
分子名称: FE (III) ION, Methanobactin biosynthesis cassette protein MbnB, Methanobactin biosynthesis cassette protein MbnC, ...
著者Chao, D, Zhaolin, L, Shoujie, L, Li, Z, Dan, Z, Ying, J, Wei, C.
登録日2021-07-13
公開日2022-03-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.643 Å)
主引用文献Crystal structure and catalytic mechanism of the MbnBC holoenzyme required for methanobactin biosynthesis.
Cell Res., 32, 2022
4QO8
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Lactate Dehydrogenase A in complex with substituted 3-Hydroxy-2-mercaptocyclohex-2-enone compound 104
分子名称: (5S)-2-[(2-chlorophenyl)sulfanyl]-5-(2,6-dichlorophenyl)-3-hydroxycyclohex-2-en-1-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Eigenbrot, C, Ultsch, M.
登録日2014-06-19
公開日2014-07-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Identification of substituted 3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 24, 2014
8W4V
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BU of 8w4v by Molmil
Crystal structure of human HSP90 in complex with compound 4
分子名称: 4-[2-[(dimethylamino)methyl]phenyl]sulfanylbenzene-1,3-diol, Heat shock protein HSP 90-alpha, MAGNESIUM ION
著者Xu, C, Zhang, X.L, Bai, F.
登録日2023-08-25
公開日2024-04-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Accurate Characterization of Binding Kinetics and Allosteric Mechanisms for the HSP90 Chaperone Inhibitors Using AI-Augmented Integrative Biophysical Studies.
Jacs Au, 4, 2024
8W8K
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Crystal structures of HSP90 and the compound Ganetespid in the "closed" conformation
分子名称: 5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(1-methyl-1H-indol-5-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one, Heat shock protein HSP 90-alpha, MAGNESIUM ION
著者Xu, C, Zhang, X.L, Bai, F.
登録日2023-09-03
公開日2024-04-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Accurate Characterization of Binding Kinetics and Allosteric Mechanisms for the HSP90 Chaperone Inhibitors Using AI-Augmented Integrative Biophysical Studies.
Jacs Au, 4, 2024
7F29
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BU of 7f29 by Molmil
Cryo-EM structure of the fibril formed by disaccharide-modified amyloid-beta(1-42)
分子名称: ACETIC ACID, Amyloid-beta A4 protein, beta-D-galactopyranose-(1-3)-2-amino-2-deoxy-alpha-D-galactopyranose
著者Xia, W.C, Sun, Y.P, Liu, C.
登録日2021-06-10
公開日2022-07-13
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献O-Glycosylation Induces Amyloid-beta To Form New Fibril Polymorphs Vulnerable for Degradation
J.Am.Chem.Soc., 143, 2021
8K5N
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BU of 8k5n by Molmil
Discovery of Novel PD-L1 Inhibitors That Induce Dimerization and Degradation of PD-L1 Based on Fragment Coupling Strategy
分子名称: 3-[(1~{S})-1-[6-methoxy-3-methyl-5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]oxy-2,3-dihydro-1~{H}-inden-4-yl]-2-methyl-~{N}-[5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]benzamide, Programmed cell death 1 ligand 1
著者Cheng, Y, Xiao, Y.B.
登録日2023-07-22
公開日2024-01-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of Novel PD-L1 Inhibitors That Induce the Dimerization, Internalization, and Degradation of PD-L1 Based on the Fragment Coupling Strategy.
J.Med.Chem., 66, 2023
4RE1
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BU of 4re1 by Molmil
Crystal structure of human TEAD1 and disulfide-engineered YAP
分子名称: CHLORIDE ION, Transcriptional enhancer factor TEF-1, Yorkie homolog
著者Xu, Z, Zhou, Z.
登録日2014-09-21
公開日2014-11-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Targeting Hippo pathway by specific interruption of YAP-TEAD interaction using cyclic YAP-like peptides.
Faseb J., 29, 2015
5Z8S
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BU of 5z8s by Molmil
Human Mitochondrial ferritin mutant - C102A/C130A/E27C/E61C/E62C
分子名称: Ferritin, mitochondrial, GOLD ION
著者Zang, J, Zheng, B, Zhao, G.
登録日2018-02-01
公開日2019-02-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.973 Å)
主引用文献Design and site-directed compartmentalization of gold nanoclusters within the intrasubunit interfaces of ferritin nanocage.
J Nanobiotechnology, 17, 2019
5Z91
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Human mitochondrial ferritin mutant bound with gold ions
分子名称: Ferritin, mitochondrial, GOLD ION, ...
著者Zang, J, Zheng, B, Zhao, G.
登録日2018-02-01
公開日2019-02-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.004 Å)
主引用文献Design and site-directed compartmentalization of gold nanoclusters within the intrasubunit interfaces of ferritin nanocage.
J Nanobiotechnology, 17, 2019
5Z8U
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BU of 5z8u by Molmil
Human mitochondrial ferritin mutant - C102A/C130A
分子名称: Ferritin, mitochondrial, MAGNESIUM ION
著者Zang, J, Zheng, B, Zhao, G.
登録日2018-02-01
公開日2019-02-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design and site-directed compartmentalization of gold nanoclusters within the intrasubunit interfaces of ferritin nanocage.
J Nanobiotechnology, 17, 2019
5Z8J
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BU of 5z8j by Molmil
Human mitochondrial ferritin mutant - E27C/E62C/C102G/C130G
分子名称: Ferritin, mitochondrial, GOLD ION
著者Zang, J, Zheng, B, Zhao, G.
登録日2018-01-31
公開日2019-02-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design and site-directed compartmentalization of gold nanoclusters within the intrasubunit interfaces of ferritin nanocage.
J Nanobiotechnology, 17, 2019
8KI4
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BU of 8ki4 by Molmil
Crystal structure of human HSP90 in intermediate state
分子名称: 1,2-ETHANEDIOL, Heat shock protein HSP 90-alpha
著者Xu, C, Zhang, X.L, Bai, F.
登録日2023-08-22
公開日2024-04-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Accurate Characterization of Binding Kinetics and Allosteric Mechanisms for the HSP90 Chaperone Inhibitors Using AI-Augmented Integrative Biophysical Studies.
Jacs Au, 4, 2024
4GQ9
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BU of 4gq9 by Molmil
Chikungunya virus neutralizing antibody 9.8B Fab fragment
分子名称: Chikungunya virus neutralizing antibody 9.8B Fab fragment heavy chain, Chikungunya virus neutralizing antibody 9.8B Fab fragment light chain
著者Sun, S, Rossmann, M.G.
登録日2012-08-22
公開日2013-07-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.995 Å)
主引用文献Structural analyses at pseudo atomic resolution of Chikungunya virus and antibodies show mechanisms of neutralization.
Elife, 2, 2013
4R69
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Lactate Dehydrogenase in complex with inhibitor compound 13
分子名称: (5R)-2-[(2-chlorophenyl)sulfanyl]-5-[2,6-dichloro-3-(tetrahydro-2H-pyran-4-ylamino)phenyl]-3-hydroxycyclohex-2-en-1-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Eigenbrot, C, Ultsch, M.
登録日2014-08-22
公開日2014-12-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Optimization of 5-(2,6-dichlorophenyl)-3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 25, 2014
4QO7
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Lactate Dehydrogenase A in complex with substituted 3-Hydroxy-2-mercaptocyclohex-2-enone compound 7
分子名称: (2S)-2-HYDROXYPROPANOIC ACID, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Eigenbrot, C, Ultsch, M.
登録日2014-06-19
公開日2014-07-16
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Identification of substituted 3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 24, 2014
7MOA
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BU of 7moa by Molmil
Cryo-EM structure of the c-MET II/HGF I complex bound with HGF II in a rigid conformation
分子名称: 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, Hepatocyte growth factor, Hepatocyte growth factor receptor
著者Uchikawa, E, Chen, Z.M, Xiao, G.Y, Zhang, X.W, Bai, X.C.
登録日2021-05-01
公開日2021-06-09
最終更新日2021-07-28
実験手法ELECTRON MICROSCOPY (4.9 Å)
主引用文献Structural basis of the activation of c-MET receptor.
Nat Commun, 12, 2021
7MOB
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BU of 7mob by Molmil
Cryo-EM structure of 2:2 c-MET/NK1 complex
分子名称: Hepatocyte growth factor, Hepatocyte growth factor receptor
著者Uchikawa, E, Chen, Z.M, Xiao, G.Y, Zhang, X.W, Bai, X.C.
登録日2021-05-01
公開日2021-06-09
最終更新日2021-07-28
実験手法ELECTRON MICROSCOPY (5 Å)
主引用文献Structural basis of the activation of c-MET receptor.
Nat Commun, 12, 2021
7MO8
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Cryo-EM structure of 1:1 c-MET I/HGF I complex after focused 3D refinement of holo-complex
分子名称: 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, Hepatocyte growth factor, Hepatocyte growth factor receptor
著者Uchikawa, E, Chen, Z.M, Xiao, G.Y, Zhang, X.W, Bai, X.C.
登録日2021-05-01
公開日2021-06-09
最終更新日2021-07-28
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structural basis of the activation of c-MET receptor.
Nat Commun, 12, 2021

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