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7XST
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BU of 7xst by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron spike glycoprotein in complex with three F61 Fab and three D2 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D2 heavy chain, D2 light chain, ...
著者Wang, X, Li, X.
登録日2022-05-15
公開日2022-11-23
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Structural basis of a two-antibody cocktail exhibiting highly potent and broadly neutralizing activities against SARS-CoV-2 variants including diverse Omicron sublineages.
Cell Discov, 8, 2022
7XMX
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BU of 7xmx by Molmil
Cryo-EM structure of SARS-CoV-2 spike glycoprotein in complex with three F61 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, F61 heavy chain, F61 light chain, ...
著者Wang, X, Li, X.
登録日2022-04-27
公開日2022-11-23
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.62 Å)
主引用文献Structural basis of a two-antibody cocktail exhibiting highly potent and broadly neutralizing activities against SARS-CoV-2 variants including diverse Omicron sublineages.
Cell Discov, 8, 2022
7XS8
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BU of 7xs8 by Molmil
Crystal structure of SARS-CoV-2 spike receptor binding domain bound with P5S-1H1 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, P5S-1H1 Heavy chain, P5S-1H1 Light chain, ...
著者Wang, X, Wang, Z.
登録日2022-05-13
公開日2023-04-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Infection with wild-type SARS-CoV-2 elicits broadly neutralizing and protective antibodies against omicron subvariants.
Nat.Immunol., 24, 2023
7XSA
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BU of 7xsa by Molmil
Crystal structure of SARS-CoV-2 spike receptor binding domain bound with P2S-2E9 Fab
分子名称: P2S-2E9 Heavy chain, P2S-2E9 Light chain, Spike protein S1
著者Wang, X, Wang, Z.
登録日2022-05-13
公開日2023-05-10
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Infection with wild-type SARS-CoV-2 elicits broadly neutralizing and protective antibodies against omicron subvariants.
Nat.Immunol., 24, 2023
7XSC
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BU of 7xsc by Molmil
Crystal structure of SARS-CoV-2 spike receptor binding domain bound with P5S-2B10
分子名称: P5S-2B10 Heavy chain, P5S-2B10 Light chain, Spike protein S1
著者Wang, X, Wang, Z, Lin, Z.
登録日2022-05-13
公開日2023-05-24
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Infection with wild-type SARS-CoV-2 elicits broadly neutralizing and protective antibodies against omicron subvariants.
Nat.Immunol., 24, 2023
7XSB
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BU of 7xsb by Molmil
Crystal structure of SARS-CoV-2 spike receptor binding domain bound with P5S-3B11 Fab
分子名称: P5S-3B11 Heavy chain, P5S-3B11 Light chain, Spike protein S1
著者Wang, X, Wang, Z, Gao, M.
登録日2022-05-13
公開日2023-05-10
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Infection with wild-type SARS-CoV-2 elicits broadly neutralizing and protective antibodies against omicron subvariants.
Nat.Immunol., 24, 2023
4YC9
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BU of 4yc9 by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with N-(6-{3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy}-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-3,4-dimethoxybenzene-1-sulfonamide (8i)
分子名称: GLYCEROL, N-(6-{3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy}-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide, Transcription intermediary factor 1-alpha, ...
著者Poncet-Montange, G, Palmer, W, Jones, P.
登録日2015-02-19
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4BBF
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BU of 4bbf by Molmil
Aminoalkylpyrimidine Inhibitor Complexes with JAK2
分子名称: (2R)-N-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide, TYROSINE-PROTEIN KINASE JAK2
著者Li, J.
登録日2012-09-21
公開日2012-11-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Sar and in Vivo Evaluation of 4-Aryl-2-Aminoalkylpyrimidines as Potent and Selective Janus Kinase 2 (Jak2) Inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
4BBE
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BU of 4bbe by Molmil
Aminoalkylpyrimidine Inhibitor Complexes with JAK2
分子名称: N-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]ethanamide, TYROSINE-PROTEIN KINASE JAK2
著者Li, J.
登録日2012-09-21
公開日2012-11-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Sar and in Vivo Evaluation of 4-Aryl-2-Aminoalkylpyrimidines as Potent and Selective Janus Kinase 2 (Jak2) Inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
4YAB
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BU of 4yab by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with 1-methyl-5-(2-methyl-1 3-thiazol-4-yl)-2 3-dihydro-1H-indol-2-one (1)
分子名称: 1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydro-2H-indol-2-one, SULFATE ION, Transcription intermediary factor 1-alpha, ...
著者Poncet-Montange, G, Palmer, W, Jones, P.
登録日2015-02-17
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YAD
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BU of 4yad by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with 2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzene-1-sulfonamide (3b)
分子名称: 2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide, CHLORIDE ION, GLYCEROL, ...
著者Poncet-Montange, G, Palmer, W, Jones, P.
登録日2015-02-17
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YBM
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BU of 4ybm by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with N-{6-[3-(benzyloxy)phenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzene-1-sulfonamide (7b)
分子名称: GLYCEROL, N-{6-[3-(benzyloxy)phenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl}-3,4-dimethoxybenzenesulfonamide, SULFATE ION, ...
著者Poncet-Montange, G, Palmer, W, Jones, P.
登録日2015-02-18
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YBS
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BU of 4ybs by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with N-{1,3-dimethyl-6-[3-(2-methylpropoxy)phenoxy]-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-1,2-dimethyl-1H-imidazole-4-sulfonamide (7g)
分子名称: DIMETHYL SULFOXIDE, N-{1,3-dimethyl-6-[3-(2-methylpropoxy)phenoxy]-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl}-1,2-dimethyl-1H-imidazole-4-sulfonamide, Transcription intermediary factor 1-alpha, ...
著者Poncet-Montange, G, Palmer, W, Jones, P.
登録日2015-02-19
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YAT
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BU of 4yat by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-4-methoxybenzene-1-sulfonamide (5b)
分子名称: N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-methoxybenzenesulfonamide, Transcription intermediary factor 1-alpha, ZINC ION
著者Poncet-Montange, G, Palmer, W, Jones, P.
登録日2015-02-17
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YBT
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BU of 4ybt by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with N-{1,3-dimethyl-2-oxo-6-[3-(oxolan-3-ylmethoxy)phenoxy]-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-1-methyl-1H-imidazole-4-sulfonamide (7l)
分子名称: DIMETHYL SULFOXIDE, N-(1,3-dimethyl-2-oxo-6-{3-[(3S)-tetrahydrofuran-3-ylmethoxy]phenoxy}-2,3-dihydro-1H-benzimidazol-5-yl)-1-methyl-1H-imidazole-4-sulfonamide, Transcription intermediary factor 1-alpha, ...
著者Poncet-Montange, G, Palmer, W, Jones, P.
登録日2015-02-19
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YAX
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BU of 4yax by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzenesulfonamide (5g)
分子名称: GLYCEROL, N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]benzenesulfonamide, SULFATE ION, ...
著者Poncet-Montange, G, Palmer, W, Jones, P.
登録日2015-02-18
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
6WXK
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BU of 6wxk by Molmil
PHF23 PHD Domain Apo
分子名称: PHD finger protein 23, ZINC ION
著者Vann, K.R, Zhang, J, Zhang, Y, Kutateladze, T.
登録日2020-05-11
公開日2020-07-15
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Mechanistic insights into chromatin targeting by leukemic NUP98-PHF23 fusion.
Nat Commun, 11, 2020
6WW3
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BU of 6ww3 by Molmil
Crystal structure of HERC2 ZZ domain in complex with SUMO1 tail
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, SUMO1 linked HERC2 ZZ domain (Small ubiquitin-related modifier 1,E3 ubiquitin-protein ligase HERC2), ...
著者Liu, J, Vann, K.R, Kutateladze, T.G.
登録日2020-05-07
公開日2020-08-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.096 Å)
主引用文献Structural Insight into Binding of the ZZ Domain of HERC2 to Histone H3 and SUMO1.
Structure, 28, 2020
6KVG
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BU of 6kvg by Molmil
The solution structure of human Orc6
分子名称: Origin recognition complex subunit 6
著者Liu, C, Xu, N, You, Y, Zhu, G.
登録日2019-09-04
公開日2020-09-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural basis of DNA replication origin recognition by human Orc6 protein binding with DNA.
Nucleic Acids Res., 48, 2020
6WW4
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BU of 6ww4 by Molmil
Crystal structure of HERC2 ZZ domain in complex with histone H3 tail
分子名称: GLYCEROL, Histone H3.1,E3 ubiquitin-protein ligase HERC2, ZINC ION
著者Liu, J, Vann, K.R, Kutateladze, T.G.
登録日2020-05-07
公開日2020-08-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.252 Å)
主引用文献Structural Insight into Binding of the ZZ Domain of HERC2 to Histone H3 and SUMO1.
Structure, 28, 2020
9EBM
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BU of 9ebm by Molmil
Piperazate synthase (PipS) in complex with haem and N5-OH-L-ornithine
分子名称: GLYCEROL, N~5~-hydroxy-L-ornithine, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Higgins, M.A, Ryan, K.S.
登録日2024-11-12
公開日2025-01-22
最終更新日2025-02-26
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structure and mechanism of haem-dependent nitrogen-nitrogen bond formation in piperazate synthase
Nat Catal, 2025
9EBK
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BU of 9ebk by Molmil
Piperazate synthase (PipS) in complex with haem
分子名称: GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, Piperazate synthase
著者Higgins, M.A, Ryan, K.S.
登録日2024-11-12
公開日2025-01-22
最終更新日2025-02-26
実験手法X-RAY DIFFRACTION (2.08006716 Å)
主引用文献Structure and mechanism of haem-dependent nitrogen-nitrogen bond formation in piperazate synthase
Nat Catal, 2025
7XED
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BU of 7xed by Molmil
Crystal Structure of OsCIE1-Ubox and OsUBC8 complex
分子名称: U-box domain-containing protein 12, UBC core domain-containing protein
著者Zhang, Y, Yu, C.Z.
登録日2022-03-30
公開日2023-10-04
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Release of a ubiquitin brake activates OsCERK1-triggered immunity in rice.
Nature, 629, 2024
9DK9
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BU of 9dk9 by Molmil
Structure of URAT1 with no external ligand added
分子名称: URAT1
著者Suo, Y, Fedor, J.G, Lee, S.-Y.
登録日2024-09-08
公開日2025-06-18
実験手法ELECTRON MICROSCOPY (2.68 Å)
主引用文献Molecular basis of the urate transporter URAT1 inhibition by gout drugs.
Nat Commun, 16, 2025
9DKB
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BU of 9dkb by Molmil
Structure of URAT1 in complex with lesinurad
分子名称: URAT1, lesinurad
著者Suo, Y, Fedor, J.G, Lee, S.-Y.
登録日2024-09-08
公開日2025-06-18
実験手法ELECTRON MICROSCOPY (2.74 Å)
主引用文献Molecular basis of the urate transporter URAT1 inhibition by gout drugs.
Nat Commun, 16, 2025

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件を2025-07-09に公開中

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