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9JDY
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BU of 9jdy by Molmil
Human URAT1 bound with verinurad
分子名称: Solute carrier family 22 member 12, verinurad
著者Wu, C, Zhang, C, Jin, S, Wang, J.J, Dai, A, Jiang, Y, Yang, D, Xu, H.E.
登録日2024-09-01
公開日2024-10-16
最終更新日2025-04-16
実験手法ELECTRON MICROSCOPY (3.23 Å)
主引用文献Molecular mechanisms of urate transport by the native human URAT1 and its inhibition by anti-gout drugs.
Cell Discov, 11, 2025
9JE1
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BU of 9je1 by Molmil
Human URAT1 bound to dotinurad
分子名称: Solute carrier family 22 member 12, dotinurad
著者Wu, C, Zhang, C, Jin, S, Wang, J.J, Dai, A, Jiang, Y, Yang, D, Xu, H.E.
登録日2024-09-01
公開日2024-10-16
最終更新日2025-04-16
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Molecular mechanisms of urate transport by the native human URAT1 and its inhibition by anti-gout drugs.
Cell Discov, 11, 2025
8G59
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BU of 8g59 by Molmil
Cryo-EM structure of the TUG891 bound GPR120-Giq complex
分子名称: 3-{4-[(4-fluoro-4'-methyl[1,1'-biphenyl]-2-yl)methoxy]phenyl}propanoic acid, Free fatty acid receptor 4, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Mao, C, Xiao, P, Tao, X, Qin, J, He, Q, Zhang, C, Yu, X, Zhang, Y, Sun, J.
登録日2023-02-12
公開日2023-03-08
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (2.64 Å)
主引用文献Unsaturated bond recognition leads to biased signal in a fatty acid receptor.
Science, 380, 2023
8T3O
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BU of 8t3o by Molmil
Cryo-EM structure of the TUG-891 bound FFA4-Gq complex
分子名称: (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 3-{4-[(4-fluoro-4'-methyl[1,1'-biphenyl]-2-yl)methoxy]phenyl}propanoic acid, Free fatty acid receptor 4, ...
著者Zhang, X, Tikhonova, I, Milligan, G, Zhang, C.
登録日2023-06-07
公開日2024-01-17
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (3.06 Å)
主引用文献Structural basis for the ligand recognition and signaling of free fatty acid receptors.
Sci Adv, 10, 2024
8T3Q
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BU of 8t3q by Molmil
Cryo-EM structure of the DHA bound FFA4-Gq complex
分子名称: DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID, Free fatty acid receptor 4, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhang, X, Tikhonova, I, Milligan, G, Zhang, C.
登録日2023-06-07
公開日2024-01-24
最終更新日2025-05-28
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献Structural basis for the ligand recognition and signaling of free fatty acid receptors.
Sci Adv, 10, 2024
8T3V
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BU of 8t3v by Molmil
Cryo-EM structure of the DHA bound FFA1-Gq complex
分子名称: CHOLESTEROL, DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID, Free fatty acid receptor 1, ...
著者Zhang, X, Tikhonova, I, Milligan, G, Zhang, C.
登録日2023-06-07
公開日2024-01-24
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.39 Å)
主引用文献Structural basis for the ligand recognition and signaling of free fatty acid receptors.
Sci Adv, 10, 2024
8SG1
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BU of 8sg1 by Molmil
Cryo-EM structure of CMKLR1 signaling complex
分子名称: CHOLESTEROL, Chemerin 9, Chemerin-like receptor 1, ...
著者Zhang, X, Zhang, C.
登録日2023-04-11
公開日2023-11-01
最終更新日2025-05-28
実験手法ELECTRON MICROSCOPY (2.94 Å)
主引用文献Structural basis of G protein-Coupled receptor CMKLR1 activation and signaling induced by a chemerin-derived agonist.
Plos Biol., 21, 2023
8T3S
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BU of 8t3s by Molmil
Cryo-EM structure of the Butyrate bound FFA2-Gq complex
分子名称: CHOLESTEROL, Free fatty acid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhang, X, Tikhonova, I, Milligan, G, Zhang, C.
登録日2023-06-07
公開日2024-01-24
最終更新日2025-05-28
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献Structural basis for the ligand recognition and signaling of free fatty acid receptors.
Sci Adv, 10, 2024
9JUY
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BU of 9juy by Molmil
X-ray crystal structure of Y16513 in CBP
分子名称: (5~{S})-1-(3-chloranyl-4-methoxy-phenyl)-5-[4-(3-methyl-1,2-benzoxazol-5-yl)-1-[(2~{S})-2-morpholin-4-ylpropyl]imidazol-2-yl]pyrrolidin-2-one, CREB-binding protein, DIMETHYL SULFOXIDE
著者Hu, J, Zhang, C, Luo, G, Tang, X, Wu, T, Shen, H, Zhao, X, Wu, X, Smaill, J, Zhang, Y, Xu, Y, Xiang, Q.
登録日2024-10-08
公開日2025-03-12
最終更新日2025-06-04
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Discovery of 5-imidazole-3-methylbenz[d]isoxazole derivatives as potent and selective CBP/p300 bromodomain inhibitors for the treatment of acute myeloid leukemia.
Acta Pharmacol.Sin., 46, 2025
9JUT
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BU of 9jut by Molmil
X-ray crystal structure of Y16524 in EP300
分子名称: (6~{S})-1-(3-chloranyl-4-methoxy-phenyl)-6-[4-(3-methyl-1,2-benzoxazol-5-yl)-1-[(2~{S})-2-morpholin-4-ylpropyl]imidazol-2-yl]piperidin-2-one, Histone acetyltransferase p300
著者Hu, J, Zhang, C, Luo, G, Tang, X, Wu, T, Shen, H, Zhao, X, Wu, X, Smaill, J, Zhang, Y, Xu, Y, Xiang, Q.
登録日2024-10-08
公開日2025-03-12
最終更新日2025-06-04
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Discovery of 5-imidazole-3-methylbenz[d]isoxazole derivatives as potent and selective CBP/p300 bromodomain inhibitors for the treatment of acute myeloid leukemia.
Acta Pharmacol.Sin., 46, 2025
9JUU
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BU of 9juu by Molmil
X-ray crystal structure of Y16515 in CBP
分子名称: (5~{S})-1-(3-chloranyl-4-methoxy-phenyl)-5-[4-(3-methyl-1,2-benzoxazol-5-yl)-1-[(2~{R})-2-morpholin-4-ylpropyl]imidazol-2-yl]pyrrolidin-2-one, 1,2-ETHANEDIOL, CREB-binding protein, ...
著者Hu, J, Zhang, C, Luo, G, Tang, X, Wu, T, Shen, H, Zhao, X, Wu, X, Smaill, J, Zhang, Y, Xu, Y, Xiang, Q.
登録日2024-10-08
公開日2025-03-12
最終更新日2025-06-04
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Discovery of 5-imidazole-3-methylbenz[d]isoxazole derivatives as potent and selective CBP/p300 bromodomain inhibitors for the treatment of acute myeloid leukemia.
Acta Pharmacol.Sin., 46, 2025
6NT5
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BU of 6nt5 by Molmil
Cryo-EM structure of full-length human STING in the apo state
分子名称: Stimulator of interferon protein
著者Shang, G, Zhang, C, Chen, Z.J, Bai, X, Zhang, X.
登録日2019-01-28
公開日2019-03-06
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Cryo-EM structures of STING reveal its mechanism of activation by cyclic GMP-AMP.
Nature, 567, 2019
6NT7
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BU of 6nt7 by Molmil
Cryo-EM structure of full-length chicken STING in the cGAMP-bound dimeric state
分子名称: Stimulator of interferon genes protein, cGAMP
著者Shang, G, Zhang, C, Chen, Z.J, Bai, X, Zhang, X.
登録日2019-01-28
公開日2019-03-06
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Cryo-EM structures of STING reveal its mechanism of activation by cyclic GMP-AMP.
Nature, 567, 2019
6NT8
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BU of 6nt8 by Molmil
Cryo-EM structure of full-length chicken STING in the cGAMP-bound tetrameric state
分子名称: Stimulator of interferon genes protein, cGAMP
著者Shang, G, Zhang, C, Chen, Z.J, Bai, X, Zhang, X.
登録日2019-01-28
公開日2019-03-06
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (6.5 Å)
主引用文献Cryo-EM structures of STING reveal its mechanism of activation by cyclic GMP-AMP.
Nature, 567, 2019
8IKJ
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BU of 8ikj by Molmil
Cryo-EM structure of the inactive CD97
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Adhesion G protein-coupled receptor E5,Soluble cytochrome b562,Adhesion G protein-coupled receptor E5 subunit beta
著者Mao, C, Zhao, R, Dong, Y, Gao, M, Chen, L, Zhang, C, Xiao, P, Guo, J, Qin, J, Shen, D, Ji, S, Zang, S, Zhang, H, Wang, W, Shen, Q, Sun, P, Zhang, Y.
登録日2023-02-28
公開日2024-02-14
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Conformational transitions and activation of the adhesion receptor CD97.
Mol.Cell, 84, 2024
6NT6
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BU of 6nt6 by Molmil
Cryo-EM structure of full-length chicken STING in the apo state
分子名称: Stimulator of interferon genes protein
著者Shang, G, Zhang, C, Chen, Z.J, Bai, X, Zhang, X.
登録日2019-01-28
公開日2019-03-06
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Cryo-EM structures of STING reveal its mechanism of activation by cyclic GMP-AMP.
Nature, 567, 2019
6ME0
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BU of 6me0 by Molmil
Structure of a group II intron retroelement prior to DNA integration
分子名称: MAGNESIUM ION, Maturase reverse transcriptase, SODIUM ION, ...
著者Haack, D, Yan, X, Zhang, C, Hingey, J, Lyumkis, D, Baker, T.S, Toor, N.
登録日2018-09-05
公開日2019-08-14
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM Structures of a Group II Intron Reverse Splicing into DNA.
Cell, 178, 2019
9J6O
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BU of 9j6o by Molmil
Crystal Structure of bromodomain of human CBP in complex with the inhibitor CZL-046
分子名称: (3~{S},5~{S})-1-[3,4-bis(fluoranyl)phenyl]-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]-3-fluoranyl-pyrrolidin-2-one, CHLORIDE ION, CREB-binding protein
著者Zhang, Y, Zhang, C, Chen, Z, Yang, H, Huang, X, Li, Y, Xu, Y.
登録日2024-08-16
公開日2024-10-16
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Discovery of CZL-046 with an ( S )-3-Fluoropyrrolidin-2-one Scaffold as a p300 Bromodomain Inhibitor for the Treatment of Multiple Myeloma.
J.Med.Chem., 67, 2024
7JVB
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BU of 7jvb by Molmil
Crystal structure of the SARS-CoV-2 spike receptor-binding domain (RBD) with nanobody Nb20
分子名称: CACODYLATE ION, Nanobody Nb20, Spike protein S1
著者Xiang, Y, Xiao, Z, Liu, H, Sang, Z, Schneidman-Duhovny, D, Zhang, C, Shi, Y.
登録日2020-08-20
公開日2020-12-02
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3.287 Å)
主引用文献Versatile and multivalent nanobodies efficiently neutralize SARS-CoV-2.
Science, 370, 2020
8IKL
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BU of 8ikl by Molmil
Cryo-EM structure of the CD97-G13 complex
分子名称: Adhesion G protein-coupled receptor E5, Guanine nucleotide-binding protein G(13) subunit alpha isoforms short, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Mao, C, Zhao, R, Dong, Y, Gao, M, Chen, L, Zhang, C, Xiao, P.
登録日2023-02-28
公開日2024-01-24
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (2.33 Å)
主引用文献Conformational transitions and activation of the adhesion receptor CD97.
Mol.Cell, 84, 2024
7YL2
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BU of 7yl2 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y07004
分子名称: Bromodomain-containing protein 4, GLYCEROL, N-(1-ethyl-2-oxidanylidene-3H-indol-5-yl)cyclohexanesulfonamide, ...
著者Huang, Y, Wei, A, Dong, R, Xu, H, Zhang, C, Chen, Z, Li, J, Wu, X, Zhang, Y, Xu, Y.
登録日2022-07-25
公開日2023-07-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y07004
To Be Published
6ODB
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BU of 6odb by Molmil
Crystal structure of HDAC8 in complex with compound 3
分子名称: GLYCEROL, Histone deacetylase 8, N-{2-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide, ...
著者Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C.
登録日2019-03-26
公開日2020-04-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors
To Be Published
5L6P
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BU of 5l6p by Molmil
EphB3 kinase domain covalently bound to an irreversible inhibitor (compound 6)
分子名称: 1,4-DIETHYLENE DIOXIDE, Ephrin type-B receptor 3, ~{N}-(4-phenylazanylquinazolin-7-yl)ethanamide
著者Schimpl, M, Overman, R, Kung, A, Chen, Y.-C, Ni, F, Zhu, J, Turner, M, Molina, H, Zhang, C.
登録日2016-05-30
公開日2016-08-10
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Development of Specific, Irreversible Inhibitors for a Receptor Tyrosine Kinase EphB3.
J.Am.Chem.Soc., 138, 2016
5L6O
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EphB3 kinase domain covalently bound to an irreversible inhibitor (compound 3)
分子名称: 1,4-DIETHYLENE DIOXIDE, 1-(4-phenylazanylquinazolin-7-yl)ethanone, Ephrin type-B receptor 3
著者Schimpl, M, Overman, R, Kung, A, Chen, Y.-C, Ni, F, Zhu, J, Turner, M, Molina, H, Zhang, C.
登録日2016-05-30
公開日2016-08-10
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Development of Specific, Irreversible Inhibitors for a Receptor Tyrosine Kinase EphB3.
J.Am.Chem.Soc., 138, 2016
5MJA
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BU of 5mja by Molmil
Kinase domain of human EphB1 bound to a quinazoline-based inhibitor
分子名称: 2-chloranyl-~{N}-[4-[(2-chloranyl-5-oxidanyl-phenyl)amino]quinazolin-7-yl]ethanamide, Ephrin type-B receptor 1, SULFATE ION
著者Kung, A, Schimpl, M, Chen, Y.-C, Overman, R.C, Zhang, C.
登録日2016-11-30
公開日2017-05-17
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献A Chemical-Genetic Approach to Generate Selective Covalent Inhibitors of Protein Kinases.
ACS Chem. Biol., 12, 2017

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件を2025-07-23に公開中

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