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7WDM
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BU of 7wdm by Molmil
Fungal immunomodulatory protein FIP-gmi
分子名称: Immunomodulatory protein
著者Liu, Y, Bastiaan-Net, S, Zhang, Y, Hoppenbrouwers, T, Xie, Y, Wang, Y, Wei, X, Du, G, Zhang, H, Imam, K.M.S.U, Wichers, H.J, Li, Z.
登録日2021-12-22
公開日2022-12-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.123 Å)
主引用文献Linking the thermostability of FIP-nha (Nectria haematococca) to its structural properties
To Be Published
7X4L
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BU of 7x4l by Molmil
Crystal structure of Bacteroides thetaiotaomicron glutamate decarboxylase mutant Y303F-PLP complex
分子名称: Glutamate decarboxylase, PYRIDOXAL-5'-PHOSPHATE
著者Liu, S, Guoming, D, Yulu, W, Boting, W, Xin, F.
登録日2022-03-02
公開日2023-05-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Coordinated regulation of Bacteroides thetaiotaomicron glutamate decarboxylase activity by multiple elements under different pH.
Food Chem, 403, 2023
7X32
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Crystal structure of E. coli NfsB in complex with berberine
分子名称: BERBERINE, DIMETHYL SULFOXIDE, Dihydropteridine reductase, ...
著者Zhang, H, Wen, H.Y.
登録日2022-02-27
公開日2022-10-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.829 Å)
主引用文献Structural basis for the transformation of the traditional medicine berberine by bacterial nitroreductase.
Acta Crystallogr D Struct Biol, 78, 2022
7X76
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BU of 7x76 by Molmil
Cryo-EM structure of Streptomyces coelicolor RNAP-promoter open complex with two Zur dimers
分子名称: DNA (84-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Yang, X, Zheng, J.
登録日2022-03-09
公開日2022-08-03
最終更新日2022-08-24
実験手法ELECTRON MICROSCOPY (3.67 Å)
主引用文献Structural basis of Streptomyces transcription activation by zinc uptake regulator.
Nucleic Acids Res., 50, 2022
7X74
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BU of 7x74 by Molmil
Cryo-EM structure of Streptomyces coelicolor transcription initial complex with two Zur dimers.
分子名称: DNA (84-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Yang, X, Zheng, J.
登録日2022-03-09
公開日2022-08-03
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural basis of Streptomyces transcription activation by zinc uptake regulator.
Nucleic Acids Res., 50, 2022
7X75
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BU of 7x75 by Molmil
Cryo-EM structure of Streptomyces coelicolor RNAP-promoter open complex with three Zur dimers
分子名称: DNA (84-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Yang, X, Zheng, J.
登録日2022-03-09
公開日2022-08-03
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.45 Å)
主引用文献Structural basis of Streptomyces transcription activation by zinc uptake regulator.
Nucleic Acids Res., 50, 2022
7YL7
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BU of 7yl7 by Molmil
Structure of hIAPP-TF-type3
分子名称: Islet amyloid polypeptide
著者Li, D, Zhang, X.
登録日2022-07-25
公開日2022-12-28
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献A new polymorphism of human amylin fibrils with similar protofilaments and a conserved core.
Iscience, 25, 2022
7YSU
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BU of 7ysu by Molmil
Cryo-EM Structure of FGF23-FGFR3c-aKlotho-HS Quaternary Complex
分子名称: 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-(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-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, COPPER (II) ION, Fibroblast growth factor 23, ...
著者Mohammadi, M, Chen, L.
登録日2022-08-13
公開日2023-04-19
最終更新日2023-07-05
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural basis for FGF hormone signalling.
Nature, 618, 2023
7YSH
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BU of 7ysh by Molmil
Cryo-EM Structure of FGF23-FGFR1c-aKlotho-HS Quaternary Complex
分子名称: 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-(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, COPPER (II) ION, Fibroblast growth factor 23, ...
著者Mohammadi, M, Chen, L.
登録日2022-08-12
公開日2023-04-19
最終更新日2023-07-05
実験手法ELECTRON MICROSCOPY (2.74 Å)
主引用文献Structural basis for FGF hormone signalling.
Nature, 618, 2023
7YSW
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BU of 7ysw by Molmil
Cryo-EM Structure of FGF23-FGFR4-aKlotho-HS Quaternary Complex
分子名称: 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-(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-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, COPPER (II) ION, Fibroblast growth factor 23, ...
著者Mohammadi, M, Chen, L.
登録日2022-08-13
公開日2023-06-14
最終更新日2023-07-05
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献Structural basis for FGF hormone signalling.
Nature, 618, 2023
7BH8
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BU of 7bh8 by Molmil
3H4-Fab HLA-E-VL9 co-complex
分子名称: 3H4 Fab heavy chain, 3H4 Fab light chain, Beta-2-microglobulin, ...
著者Walters, L.C, Rozbesky, D.
登録日2021-01-10
公開日2022-04-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mouse and human antibodies bind HLA-E-leader peptide complexes and enhance NK cell cytotoxicity.
Commun Biol, 5, 2022
7CCJ
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BU of 7ccj by Molmil
Sulfur binding domain of SprMcrA complexed with phosphorothioated DNA
分子名称: DNA (5'-D(*GP*GP*AP*TP*CP*AP*TP*C)-3'), HNHc domain-containing protein
著者Yu, H, Zhao, G, Gan, J, Liu, G, Wu, G, He, X.
登録日2020-06-17
公開日2020-07-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献DNA backbone interactions impact the sequence specificity of DNA sulfur-binding domains: revelations from structural analyses.
Nucleic Acids Res., 48, 2020
7BJD
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BU of 7bjd by Molmil
Crystal structure of CHK1-10pt-mutant complex with compound 3
分子名称: 2-methyl-2-(3-methyl-4-{[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1H-pyrazol-1-yl)propanenitrile, CHLORIDE ION, Serine/threonine-protein kinase Chk1
著者Dokurno, P, Surgenor, A.E, Williamson, D.S.
登録日2021-01-14
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
7BK3
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BU of 7bk3 by Molmil
Crystal structure of CHK1-10pt-mutant complex with compound 45
分子名称: 4-amino-7-methyl-2-({5-methyl-1-[(3S)-oxolan-3-yl]-1H-pyrazol-4-yl}amino)-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, CHLORIDE ION, Serine/threonine-protein kinase Chk1
著者Dokurno, P, Surgenor, A.E, Williamson, D.S.
登録日2021-01-15
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
7BJH
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BU of 7bjh by Molmil
Crystal structure of CHK1-10pt-mutant complex with compound 8
分子名称: CHLORIDE ION, N,N-dimethyl-7H-purin-6-amine, Serine/threonine-protein kinase Chk1
著者Dokurno, P, Surgenor, A.E, Williamson, D.S.
登録日2021-01-14
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
7BJM
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BU of 7bjm by Molmil
Crystal structure of CHK1-10pt-mutant complex with compound 10
分子名称: 4-amino-6-{[(2-fluorophenyl)methyl]amino}-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Serine/threonine-protein kinase Chk1
著者Dokurno, P, Surgenor, A.E, Williamson, D.S.
登録日2021-01-14
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
7BKO
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BU of 7bko by Molmil
Crystal structure of CHK1 complex with compound 9
分子名称: 1H-pyrazolo[3,4-d]pyrimidin-4-amine, Serine/threonine-protein kinase Chk1
著者Baker, L.M, Surgenor, A.E, Williamson, D.S.
登録日2021-01-16
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
7BJR
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Crystal structure of CHK1-10pt-mutant complex with compound 18
分子名称: 4-amino-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Serine/threonine-protein kinase Chk1
著者Dokurno, P, Surgenor, A.E, Williamson, D.S.
登録日2021-01-14
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
7BJX
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BU of 7bjx by Molmil
Crystal structure of CHK1-10pt-mutant complex with compound 26
分子名称: 4-amino-7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)amino]-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Serine/threonine-protein kinase Chk1
著者Dokurno, P, Surgenor, A.E, Williamson, D.S.
登録日2021-01-14
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
7BJJ
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BU of 7bjj by Molmil
Crystal structure of CHK1-10pt-mutant complex with compound 9
分子名称: 1H-pyrazolo[3,4-d]pyrimidin-4-amine, CHLORIDE ION, Serine/threonine-protein kinase Chk1
著者Dokurno, P, Surgenor, A.E, Williamson, D.S.
登録日2021-01-14
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
7BJO
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BU of 7bjo by Molmil
Crystal structure of CHK1-10pt-mutant complex with compound 13
分子名称: 4-amino-6-(2,3-difluorophenyl)-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Serine/threonine-protein kinase Chk1
著者Dokurno, P, Surgenor, A.E, Williamson, D.S.
登録日2021-01-14
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
7BJE
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Crystal structure of CHK1-10pt-mutant complex with adenine
分子名称: ADENINE, CHLORIDE ION, Serine/threonine-protein kinase Chk1
著者Dokurno, P, Surgenor, A.E, Williamson, D.S.
登録日2021-01-14
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
7BK1
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Crystal structure of CHK1-10pt-mutant complex with compound 32
分子名称: 4-amino-2-[(1,3-dimethyl-1H-pyrazol-4-yl)amino]-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, CHLORIDE ION, Serine/threonine-protein kinase Chk1
著者Dokurno, P, Surgenor, A.E, Williamson, D.S.
登録日2021-01-15
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
7BKN
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BU of 7bkn by Molmil
Crystal structure of CHK1 complex with adenine
分子名称: ADENINE, SULFATE ION, Serine/threonine-protein kinase Chk1
著者Baker, L.M, Surgenor, A.E, Williamson, D.S.
登録日2021-01-16
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
7BK2
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Crystal structure of CHK1-10pt-mutant complex with compound 44
分子名称: 4-amino-7-methyl-2-({5-methyl-1-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl}amino)-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, CHLORIDE ION, Serine/threonine-protein kinase Chk1
著者Dokurno, P, Surgenor, A.E, Williamson, D.S.
登録日2021-01-15
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021

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