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7CBJ
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BU of 7cbj by Molmil
Crystal structure of PDE4D catalytic domain in complex with compound 36
分子名称: (1S)-1-[(7-chloranyl-1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
著者Zhang, X.L, Xu, Y.C.
登録日2020-06-12
公開日2021-06-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Design, synthesis, and biological evaluation of tetrahydroisoquinolines derivatives as novel, selective PDE4 inhibitors for antipsoriasis treatment.
Eur.J.Med.Chem., 211, 2021
6LJS
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BU of 6ljs by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
分子名称: 1,2-ETHANEDIOL, 2-[(2-phenylphenyl)amino]benzoic acid, Fatty acid-binding protein, ...
著者Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
登録日2019-12-17
公開日2020-04-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6LJU
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BU of 6lju by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
分子名称: 1,2-ETHANEDIOL, 2-[[3-chloranyl-4-(methylamino)-2-phenyl-phenyl]amino]benzoic acid, Fatty acid-binding protein, ...
著者Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
登録日2019-12-17
公開日2020-04-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6LJX
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BU of 6ljx by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
分子名称: 2-phenylazanylbenzoic acid, Fatty acid-binding protein, adipocyte
著者Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
登録日2019-12-17
公開日2020-04-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6LJV
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BU of 6ljv by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
分子名称: 2-[[3-chloranyl-2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]amino]benzoic acid, Fatty acid-binding protein, adipocyte
著者Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
登録日2019-12-17
公開日2020-04-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.401 Å)
主引用文献Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6LG3
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BU of 6lg3 by Molmil
Crystal structure of a bacterial toxin from Mycobacterium tuberculosis
分子名称: PhiRv1 phage protein
著者Zhou, J, Jiang, Y, Luo, Z, Yin, L.
登録日2019-12-04
公開日2020-11-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.90057254 Å)
主引用文献Mycobacterial EST12 activates a RACK1-NLRP3-gasdermin D pyroptosis-IL-1 beta immune pathway.
Sci Adv, 6, 2020
6LJW
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BU of 6ljw by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
分子名称: 1,2-ETHANEDIOL, 2-phenylazanylbenzoic acid, Fatty acid-binding protein, ...
著者Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
登録日2019-12-17
公開日2020-04-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6LJT
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BU of 6ljt by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
分子名称: 1,2-ETHANEDIOL, 2-[(3-chloranyl-2-phenyl-phenyl)amino]benzoic acid, Fatty acid-binding protein, ...
著者Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
登録日2019-12-17
公開日2020-04-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
3S8M
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BU of 3s8m by Molmil
The Crystal Structure of FabV
分子名称: Enoyl-ACP Reductase
著者Li, H, Zhang, X.L, Bi, L.J, He, J, Jiang, T.
登録日2011-05-29
公開日2011-11-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Determination of the Crystal Structure and Active Residues of FabV, the Enoyl-ACP Reductase from Xanthomonas oryzae.
Plos One, 6, 2011
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
8W8K
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BU of 8w8k by Molmil
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
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
7D5K
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BU of 7d5k by Molmil
CryoEM structure of cotton cellulose synthase isoform 7
分子名称: Cellulose synthase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Guan, Z.Y, Xue, Y, Yin, P, Zhang, X.L.
登録日2020-09-26
公開日2021-07-28
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural insights into homotrimeric assembly of cellulose synthase CesA7 from Gossypium hirsutum.
Plant Biotechnol J, 19, 2021
7YEZ
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BU of 7yez by Molmil
In situ structure of polymerase complex of mammalian reovirus in the reloaded state
分子名称: Lambda-2 protein, Mu-2 protein, RNA helicase, ...
著者Bao, K.Y, Zhang, X.L, Li, D.Y, Zhu, P.
登録日2022-07-06
公開日2023-03-29
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献In situ structures of polymerase complex of mammalian reovirus illuminate RdRp activation and transcription regulation.
Proc.Natl.Acad.Sci.USA, 119, 2022
7YFE
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BU of 7yfe by Molmil
In situ structure of polymerase complex of mammalian reovirus in virion
分子名称: Lambda-2 protein, Mu-2 protein, RNA (5'-R(P*AP*CP*GP*AP*UP*UP*AP*GP*C)-3'), ...
著者Bao, K.Y, Zhang, X.L, Li, D.Y, Zhu, P.
登録日2022-07-08
公開日2023-03-29
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献In situ structures of polymerase complex of mammalian reovirus illuminate RdRp activation and transcription regulation.
Proc.Natl.Acad.Sci.USA, 119, 2022
7YF0
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BU of 7yf0 by Molmil
In situ structure of polymerase complex of mammalian reovirus in the core
分子名称: Lambda-2 protein, Mu-2 protein, RNA helicase, ...
著者Bao, K.Y, Zhang, X.L, Li, D.Y, Zhu, P.
登録日2022-07-07
公開日2023-03-29
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献In situ structures of polymerase complex of mammalian reovirus illuminate RdRp activation and transcription regulation.
Proc.Natl.Acad.Sci.USA, 119, 2022
7YEV
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BU of 7yev by Molmil
In situ structure of polymerase complex of mammalian reovirus in the pre-elongation state
分子名称: Lambda-2 protein, Mu-2 protein, RNA helicase, ...
著者Bao, K.Y, Zhang, X.L, Li, D.Y, Zhu, P.
登録日2022-07-06
公開日2023-03-29
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献In situ structures of polymerase complex of mammalian reovirus illuminate RdRp activation and transcription regulation.
Proc.Natl.Acad.Sci.USA, 119, 2022
7YED
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BU of 7yed by Molmil
In situ structure of polymerase complex of mammalian reovirus in the elongation state
分子名称: GUANOSINE-5'-TRIPHOSPHATE, Lambda-2 protein, MAGNESIUM ION, ...
著者Bao, K.Y, Zhang, X.L, Li, D.Y, Zhu, P.
登録日2022-07-05
公開日2023-04-05
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献In situ structures of polymerase complex of mammalian reovirus illuminate RdRp activation and transcription regulation.
Proc.Natl.Acad.Sci.USA, 119, 2022
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