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6NKM
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BU of 6nkm by Molmil
Structure of PhqE D166N Reductase/Diels-Alderase from Penicillium fellutanum in complex with NADP+ and substrate
分子名称: 3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-8H-pyrrolo[1,2-a]pyrazin-5-ium-1-olate, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short chain dehydrogenase
著者Newmister, S.A, Dan, Q, Smith, J.L, Sherman, D.H.
登録日2019-01-07
公開日2019-10-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.896 Å)
主引用文献Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels-Alderase.
Nat.Chem., 11, 2019
6NKH
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BU of 6nkh by Molmil
Structure of MalC Reductase/Diels-Alderase from Malbranchea aurantiaca
分子名称: Short chain dehydrogenase
著者Dan, Q, Newmister, S.A, Smith, J.L, Sherman, D.H.
登録日2019-01-07
公開日2019-10-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels-Alderase.
Nat.Chem., 11, 2019
6NKK
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BU of 6nkk by Molmil
Structure of PhqE Reductase/Diels-Alderase from Penicillium fellutanum in complex with NADP+ and premalbrancheamide
分子名称: (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short chain dehydrogenase
著者Newmister, S.A, Dan, Q, Smith, J.L, Sherman, D.H.
登録日2019-01-07
公開日2019-10-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.299 Å)
主引用文献Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels-Alderase.
Nat.Chem., 11, 2019
2QJ0
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BU of 2qj0 by Molmil
Structure of the yeast U-box-containing ubiquitin ligase Ufd2p
分子名称: Ubiquitin conjugation factor E4
著者Tu, D, Brunger, A.T.
登録日2007-07-06
公開日2007-09-18
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Inaugural Article: Structure and function of the yeast U-box-containing ubiquitin ligase Ufd2p.
Proc.Natl.Acad.Sci.Usa, 104, 2007
4PZG
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BU of 4pzg by Molmil
Crystal structure of human sorting nexin 10 (SNX10)
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, NITRATE ION, Sorting nexin-10
著者Xu, T, Xu, J, Wang, Q, Liu, J.
登録日2014-03-30
公開日2014-09-24
最終更新日2014-12-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of human SNX10 reveals insights into its role in human autosomal recessive osteopetrosis.
Proteins, 82, 2014
4ON3
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BU of 4on3 by Molmil
Crystal structure of human sorting nexin 10 (SNX10)
分子名称: NITRATE ION, PENTAETHYLENE GLYCOL, SODIUM ION, ...
著者Xu, T, Xu, J, Wang, Q, Liu, J.
登録日2014-01-28
公開日2014-09-24
最終更新日2014-12-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of human SNX10 reveals insights into its role in human autosomal recessive osteopetrosis.
Proteins, 82, 2014
8PNZ
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BU of 8pnz by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 16 bound to EGFR
分子名称: 1-[(3~{S})-3-[4-(6,7-dimethoxyquinazolin-4-yl)-3-(3-methoxyphenyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one, Epidermal growth factor receptor
著者Hargreaves, D.
登録日2023-07-03
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 2024
8PO3
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Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 18 bound to EGFR[V948R]
分子名称: 2-methyl-5-[[3-[1-[(3~{S})-1-propanoylpyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one, Epidermal growth factor receptor
著者Hargreaves, D.
登録日2023-07-03
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 2024
8PO0
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Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 12 bound to EGFRinsNPG
分子名称: 1-[3-[7-methoxy-4-[3-(3-methoxyphenyl)-1~{H}-pyrazol-4-yl]quinazolin-6-yl]oxyazetidin-1-yl]propan-1-one, Epidermal growth factor receptor
著者Hargreaves, D.
登録日2023-07-03
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.523 Å)
主引用文献Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 2024
8PO2
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BU of 8po2 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 33 bound to EGFRinsNPG [V948R]
分子名称: 1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide, Epidermal growth factor receptor
著者Hargreaves, D.
登録日2023-07-03
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 2024
8PO1
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BU of 8po1 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 22 bound to EGFRinsNPG [V948R]
分子名称: 2-methyl-5-[[3-[1-[(3~{S},5~{R})-5-methyl-1-propanoyl-pyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one, Epidermal growth factor receptor, IODIDE ION
著者Hargreaves, D.
登録日2023-07-03
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 2024
8PO4
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BU of 8po4 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 33 bound to EGFR[V948R]
分子名称: 1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, Epidermal growth factor receptor, ...
著者Hargreaves, D.
登録日2023-07-03
公開日2024-06-05
実験手法X-RAY DIFFRACTION (1.621 Å)
主引用文献Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 2024
8I16
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BU of 8i16 by Molmil
Crystal structure of the selenomethionine (SeMet)-derived Cas12g (D513A) mutant
分子名称: Cas12g, ZINC ION
著者Zhang, B, Chen, J, Ye, Y.M, OuYang, S.Y.
登録日2023-01-12
公開日2023-08-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structural transitions upon guide RNA binding and their importance in Cas12g-mediated RNA cleavage.
Plos Genet., 19, 2023
8IN4
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BU of 8in4 by Molmil
Eisenia hydrolysis-enhancing protein from Aplysia kurodai
分子名称: 25 kDa polyphenol-binding protein, ACETYL GROUP, GLYCEROL
著者Sun, X.M, Ye, Y.X, Kato, K, Yu, J, Yao, M.
登録日2023-03-08
公開日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural basis of EHEP-mediated offense against phlorotannin-induced defense from brown algae to protect aku BGL activity.
Elife, 12, 2023
8IN1
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BU of 8in1 by Molmil
beta-glucosidase protein from Aplysia kurodai
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-Glucosidase, alpha-L-fucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Sun, X.M, Ye, Y.X, Kato, K, Yu, J, Yao, M.
登録日2023-03-08
公開日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis of EHEP-mediated offense against phlorotannin-induced defense from brown algae to protect aku BGL activity.
Elife, 12, 2023
8IN6
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BU of 8in6 by Molmil
Eisenia hydrolysis-enhancing protein from Aplysia kurodai complex with tannic acid
分子名称: 25 kDa polyphenol-binding protein, BETA-1,2,3,4,6-PENTA-O-GALLOYL-D-GLUCOPYRANOSE
著者Sun, X.M, Ye, Y.X, Kato, K, Yu, J, Yao, M.
登録日2023-03-08
公開日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis of EHEP-mediated offense against phlorotannin-induced defense from brown algae to protect aku BGL activity.
Elife, 12, 2023
8IN3
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BU of 8in3 by Molmil
Eisenia hydrolysis-enhancing protein from Aplysia kurodai
分子名称: 25 kDa polyphenol-binding protein, GLYCEROL
著者Sun, X.M, Ye, Y.X, Kato, K, Yu, J, Yao, M.
登録日2023-03-08
公開日2023-11-15
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structural basis of EHEP-mediated offense against phlorotannin-induced defense from brown algae to protect aku BGL activity.
Elife, 12, 2023
8JPQ
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BU of 8jpq by Molmil
SARS-CoV-2 Mpro in complex with D-5-96
分子名称: ACETIC ACID, ALANINE, ISOLEUCINE, ...
著者Liu, M, Huang, H.
登録日2023-06-12
公開日2023-08-23
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The S1'-S3' Pocket of the SARS-CoV-2 Main Protease Is Critical for Substrate Selectivity and Can Be Targeted with Covalent Inhibitors.
Angew.Chem.Int.Ed.Engl., 62, 2023
5GW0
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BU of 5gw0 by Molmil
Crystal structure of SNX16 PX-Coiled coil
分子名称: Sorting nexin-16
著者Xu, J, Liu, J.
登録日2016-09-08
公開日2017-09-13
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献SNX16 Regulates the Recycling of E-Cadherin through a Unique Mechanism of Coordinated Membrane and Cargo Binding.
Structure, 25, 2017
5GW1
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BU of 5gw1 by Molmil
Crystal structure of SNX16 PX-Coiled coil in space group P212121
分子名称: Sorting nexin-16
著者Xu, J, Liu, J.
登録日2016-09-08
公開日2017-09-13
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献SNX16 Regulates the Recycling of E-Cadherin through a Unique Mechanism of Coordinated Membrane and Cargo Binding.
Structure, 25, 2017
8HGI
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BU of 8hgi by Molmil
Crystal structure of VNAR aGFP14 in complex with GFP
分子名称: GFP, VNAR aGFP14, [2-(3-CARBAMOYL-1-IMINO-PROPYL)-4-(4-HYDROXY-BENZYLIDENE)-5-OXO-4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETIC ACID
著者Zheng, P, Zhu, C, Jin, T.
登録日2022-11-14
公開日2023-09-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Selection, identification and crystal structure of shark-derived single-domain antibodies against a green fluorescent protein.
Int.J.Biol.Macromol., 247, 2023
7DPV
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BU of 7dpv by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with 7-O-methyl-dihydromyricetin
分子名称: (2S,3S)-3,5-dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one, 3C-like proteinase
著者Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C.
登録日2020-12-21
公開日2021-05-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease.
Nat Commun, 12, 2021
7DPP
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BU of 7dpp by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with myricetin
分子名称: 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, 3C-like proteinase
著者Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C.
登録日2020-12-21
公開日2021-05-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease.
Nat Commun, 12, 2021
7DPU
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BU of 7dpu by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with 7-O-methyl-myricetin
分子名称: 3C-like proteinase, 7-methoxy-3,5-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one, GLYCEROL
著者Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C.
登録日2020-12-21
公開日2021-05-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease.
Nat Commun, 12, 2021
8I3Q
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BU of 8i3q by Molmil
Cryo-EM structure of Cas12g-sgRNA binary complex
分子名称: Cas12g, RNA (139-MER), ZINC ION
著者Ouyang, S.Y, Liu, M.X, Li, Z.K.
登録日2023-01-17
公開日2023-09-06
最終更新日2023-10-04
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural transitions upon guide RNA binding and their importance in Cas12g-mediated RNA cleavage.
Plos Genet., 19, 2023

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