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7DZE
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BU of 7dze by Molmil
Fabp ground state captured by XFELs
分子名称: Fatty acid-binding protein, liver, PALMITIC ACID
著者Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
登録日2021-01-25
公開日2022-07-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7DZH
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BU of 7dzh by Molmil
intermediate of FABP with a delay time of 100 ns
分子名称: Fatty acid-binding protein, liver, PALMITIC ACID
著者Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
登録日2021-01-25
公開日2022-07-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7DZF
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BU of 7dzf by Molmil
Intermediate of FABP with a delay time of 10 ns
分子名称: Fatty acid-binding protein, liver, PALMITIC ACID
著者Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
登録日2021-01-25
公開日2022-07-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7DZG
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BU of 7dzg by Molmil
Intermediate of FABP with a delay time of 30 ns
分子名称: Fatty acid-binding protein, liver, PALMITIC ACID
著者Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
登録日2021-01-25
公開日2022-07-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7DZI
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BU of 7dzi by Molmil
intermediate of FABP with a delay time of 300 ns
分子名称: Fatty acid-binding protein, liver, PALMITIC ACID
著者Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
登録日2021-01-25
公開日2022-07-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7DZJ
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BU of 7dzj by Molmil
Fabp protein before hv
分子名称: Fatty acid-binding protein, liver, PALMITIC ACID
著者Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
登録日2021-01-25
公開日2022-07-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7DZK
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BU of 7dzk by Molmil
Fabp protein after hv
分子名称: Fatty acid-binding protein, liver, PALMITIC ACID
著者Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
登録日2021-01-25
公開日2022-07-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7DZL
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BU of 7dzl by Molmil
A69C-M71L mutant of Fabp protein
分子名称: Fatty acid-binding protein, liver, PALMITIC ACID
著者Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
登録日2021-01-25
公開日2022-07-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7W8L
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BU of 7w8l by Molmil
Crystal Structure of Co-type nitrile hydratase mutant from Pseudonocardia thermophila - M46R
分子名称: COBALT (II) ION, Cobalt-containing nitrile hydratase subunit beta, Nitrile hydratase
著者Ma, D, Cheng, Z.Y, Hou, X.D, Peplowski, L, Lai, Q.P, Fu, K, Yin, D.J, Rao, Y.J, Zhou, Z.M.
登録日2021-12-08
公開日2022-08-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Insight into the broadened substrate scope of nitrile hydratase by static and dynamic structure analysis.
Chem Sci, 13, 2022
7W8M
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BU of 7w8m by Molmil
Crystal structure of Co-type nitrile hydratase mutant from Pseudomonas thermophila - A129R
分子名称: COBALT (II) ION, Cobalt-containing nitrile hydratase subunit beta, Nitrile hydratase
著者Ma, D, Cheng, Z.Y, Hou, X.D, Peplowski, L, Lai, Q.P, Fu, K, Yin, D.J, Rao, Y.J, Zhou, Z.M.
登録日2021-12-08
公開日2022-08-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Insight into the broadened substrate scope of nitrile hydratase by static and dynamic structure analysis.
Chem Sci, 13, 2022
7YEU
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BU of 7yeu by Molmil
Superfolder green fluorescent protein with phosphine unnatural amino acid P3BF
分子名称: Superfolder green fluorescent protein
著者Hu, C, Duan, H.Z, Liu, X.H, Chen, Y.X, Wang, J.Y.
登録日2022-07-06
公開日2023-07-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Genetically Encoded Phosphine Ligand for Metalloprotein Design.
J.Am.Chem.Soc., 144, 2022
7DE7
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BU of 7de7 by Molmil
Crystal structure of PDZD7 HHD domain
分子名称: (2R)-2-{[(2R)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol, PDZ domain-containing protein 7
著者Wang, H, Lin, L, Lu, Q.
登録日2020-11-02
公開日2021-08-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Structure and Membrane Targeting of the PDZD7 Harmonin Homology Domain (HHD) Associated With Hearing Loss.
Front Cell Dev Biol, 9, 2021
2I1T
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BU of 2i1t by Molmil
Solution structure of Jingzhaotoxin-III, a novel toxin inhibiting both Nav and Kv channels
分子名称: Jingzhaotoxin-3
著者Liao, Z, Peng, K, Liang, S.
登録日2006-08-15
公開日2006-08-29
最終更新日2022-03-09
実験手法SOLUTION NMR
主引用文献Solution structure of Jingzhaotoxin-III, a novel toxin inhibiting both Nav and Kv channels
To be Published
5KIT
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BU of 5kit by Molmil
Crystal Structure of Nicotinamide Phosphoribosyltransferase (Nampt) in Complex with Inhibitors 37
分子名称: 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION, ...
著者Li, D, Wang, W.
登録日2016-06-17
公開日2016-08-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Minimizing CYP2C9 Inhibition of Exposed-Pyridine NAMPT (Nicotinamide Phosphoribosyltransferase) Inhibitors.
J.Med.Chem., 59, 2016
4QQX
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BU of 4qqx by Molmil
Crystal structure of T. fusca Cas3-ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CRISPR-associated helicase, Cas3 family, ...
著者Ke, A, Huo, Y, Nam, K.H.
登録日2014-06-30
公開日2014-08-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.34 Å)
主引用文献Structures of CRISPR Cas3 offer mechanistic insights into Cascade-activated DNA unwinding and degradation.
Nat.Struct.Mol.Biol., 21, 2014
4QQW
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BU of 4qqw by Molmil
Crystal structure of T. fusca Cas3
分子名称: CRISPR-associated helicase, Cas3 family, DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), ...
著者Ke, A, Huo, Y, Nam, K.H.
登録日2014-06-30
公開日2014-08-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.664 Å)
主引用文献Structures of CRISPR Cas3 offer mechanistic insights into Cascade-activated DNA unwinding and degradation.
Nat.Struct.Mol.Biol., 21, 2014
8I0C
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BU of 8i0c by Molmil
Crystal structure of Aldo-keto reductase 1C3 complexed with compound S0703
分子名称: 1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Jiang, J, He, S, Liu, Y, Fang, P, Sun, H.
登録日2023-01-10
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment.
J.Med.Chem., 66, 2023
8CIJ
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BU of 8cij by Molmil
CRYSTAL STRUCTURE OF HUMAN HPK1 (MAP4K1) COMPLEX WITH 2-[8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-isoquinolin-3-ylamino]-6-isopropyl-5,6-dihydro-4H-1,6,8a-triaza-azulen-7-one
分子名称: 2-[[8-azanyl-7-fluoranyl-6-(8-methyl-2,3-dihydro-1~{H}-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4~{H}-pyrazolo[1,5-d][1,4]diazepin-7-one, Mitogen-activated protein kinase kinase kinase kinase 1
著者Musil, D, Toure, M.
登録日2023-02-09
公開日2023-08-16
実験手法X-RAY DIFFRACTION (2.821 Å)
主引用文献Discovery of quinazoline HPK1 inhibitors with high cellular potency.
Bioorg.Med.Chem., 92, 2023
8CDW
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BU of 8cdw by Molmil
CRYSTAL STRUCTURE OF HUMAN HPK1 (MAP4K1) COMPLEX WITH 7-(1-methyl-1H-pyrazol-4-yl)-N-[4-(1-methylpiperidin-4-yl)phenyl]quinazolin-2-amine
分子名称: Mitogen-activated protein kinase kinase kinase kinase 1, ~{N}-[4-(1-methylpiperidin-4-yl)phenyl]-7-(1-methylpyrazol-4-yl)quinazolin-2-amine
著者Musil, D, Toure, M.
登録日2023-02-01
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.941 Å)
主引用文献Discovery of quinazoline HPK1 inhibitors with high cellular potency.
Bioorg.Med.Chem., 92, 2023
6XFN
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BU of 6xfn by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with UAW243
分子名称: 3C-like proteinase, GLYCEROL, UAW243
著者Sacco, M, Ma, C, Wang, J, Chen, Y.
登録日2020-06-15
公開日2020-06-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
6XBI
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BU of 6xbi by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW248
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Sacco, M, Ma, C, Wang, J, Chen, Y.
登録日2020-06-06
公開日2020-06-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
6XBH
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BU of 6xbh by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW247
分子名称: 3C-like proteinase, GLYCEROL, SODIUM ION, ...
著者Sacco, M, Ma, C, Wang, J, Chen, Y.
登録日2020-06-06
公開日2020-06-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
6XA4
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BU of 6xa4 by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with UAW241
分子名称: 3C-like proteinase, GLYCEROL, inhibitor UAW241
著者Sacco, M, Ma, C, Wang, J, Chen, Y.
登録日2020-06-03
公開日2020-06-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
6XBG
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BU of 6xbg by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW246
分子名称: 3C-like proteinase, GLYCEROL, SODIUM ION, ...
著者Sacco, M, Ma, C, Wang, J, Chen, Y.
登録日2020-06-05
公開日2020-06-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
6VWC
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BU of 6vwc by Molmil
Crystal structure of Bcl-xL in complex with tetrahydroisoquinoline-pyridine based inhibitors
分子名称: 6-{8-[(1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-{1-[(pyridin-4-yl)methyl]-1H-pyrazol-4-yl}pyridine-2-carboxylic acid, Bcl-2-like protein 1
著者Judge, R.A, Judd, A.S.
登録日2020-02-19
公開日2020-10-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.604 Å)
主引用文献Discovery of A-1331852, a First-in-Class, Potent, and Orally-Bioavailable BCL-X L Inhibitor.
Acs Med.Chem.Lett., 11, 2020

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