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7YC9
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BU of 7yc9 by Molmil
Co-crystal structure of BTK kinase domain with inhibitor
分子名称: (7~{S})-2-(4-bromanyl-3,5-dimethoxy-phenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, Tyrosine-protein kinase BTK
著者Zhou, X.
登録日2022-07-01
公開日2023-05-17
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovery of BGB-8035, a Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase for B-Cell Malignancies and Autoimmune Diseases.
J.Med.Chem., 66, 2023
6N33
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BU of 6n33 by Molmil
Crystal structure of fms kinase domain with a small molecular inhibitor, PLX5622
分子名称: 6-fluoro-N-[(5-fluoro-2-methoxypyridin-3-yl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine, Macrophage colony-stimulating factor 1 receptor
著者Zhang, Y.
登録日2018-11-14
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Sustained microglial depletion with CSF1R inhibitor impairs parenchymal plaque development in an Alzheimer's disease model.
Nat Commun, 10, 2019
4PW2
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BU of 4pw2 by Molmil
Crystal structure of D-glucuronyl C5 epimerase
分子名称: CITRIC ACID, D-glucuronyl C5 epimerase B
著者Ke, J, Qin, Y, Gu, X, Brunzelle, J.S, Xu, H.E, Ding, K.
登録日2014-03-18
公開日2015-01-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and Functional Study of d-Glucuronyl C5-epimerase.
J.Biol.Chem., 290, 2015
4R8Q
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BU of 4r8q by Molmil
Structure and substrate recruitment of the human spindle checkpoint kinase bub1
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Mitotic checkpoint serine/threonine-protein kinase BUB1
著者Tomchick, D.R, Yu, H.
登録日2014-09-02
公開日2014-11-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Structure and substrate recruitment of the human spindle checkpoint kinase Bub1.
Mol.Cell, 32, 2008
7XPO
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BU of 7xpo by Molmil
Crystal Structure of UDP-Glc/GlcNAc 4-Epimerase with NAD/UDP-Glc
分子名称: GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase, ...
著者Chen, Y.H, Wang, X.C, Zhang, C.R.
登録日2022-05-05
公開日2023-05-17
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献A maize epimerase modulates cell wall synthesis and glycosylation during stomatal morphogenesis.
Nat Commun, 14, 2023
7XPQ
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BU of 7xpq by Molmil
Crystal Structure of UDP-Glc/GlcNAc 4-Epimerase with NAD/UDP-GlcNAc
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
著者Chen, Y.H, Wang, X.C, Zhang, C.R.
登録日2022-05-05
公開日2023-05-17
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A maize epimerase modulates cell wall synthesis and glycosylation during stomatal morphogenesis.
Nat Commun, 14, 2023
7XPP
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BU of 7xpp by Molmil
Crystal Structure of UDP-Glc/GlcNAc 4-Epimerase with NAD
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase
著者Chen, Y.H, Wang, X.C, Zhang, C.R.
登録日2022-05-05
公開日2023-05-24
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A maize epimerase modulates cell wall synthesis and glycosylation during stomatal morphogenesis.
Nat Commun, 14, 2023
6LZZ
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BU of 6lzz by Molmil
Crystal structure of the PDE9 catalytic domain in complex with inhibitor 4a
分子名称: 1-cyclopentyl-6-[[(2R)-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxidanylidene-propan-2-yl]amino]-5H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
著者Huang, Y.Y, Wu, Y, Luo, H.B.
登録日2020-02-19
公開日2021-02-24
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.40003753 Å)
主引用文献Identification of phosphodiesterase-9 as a novel target for pulmonary arterial hypertension by using highly selective and orally bioavailable inhibitors
To Be Published
6KSQ
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BU of 6ksq by Molmil
Middle Domain of Human HSP90 Alpha
分子名称: Heat shock protein HSP 90-alpha
著者Su, H.X, Zhou, C, Zhang, N.X, Xu, Y.C.
登録日2019-08-25
公開日2020-02-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献Allosteric Regulation of Hsp90 alpha's Activity by Small Molecules Targeting the Middle Domain of the Chaperone.
Iscience, 23, 2020
7KN3
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BU of 7kn3 by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain complexed with a pre-pandemic antibody S-B8 Fab
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, S-B8 Fab heavy chain, ...
著者Liu, H, Zhu, X, Wilson, I.A.
登録日2020-11-04
公開日2021-09-22
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.251 Å)
主引用文献Neutralizing Antibodies to SARS-CoV-2 Selected from a Human Antibody Library Constructed Decades Ago.
Adv Sci, 9, 2022
7KN4
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BU of 7kn4 by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain complexed with a pre-pandemic antibody S-E6 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, S-E6 Fab heavy chain, S-E6 Fab light chain, ...
著者Liu, H, Wilson, I.A.
登録日2020-11-04
公開日2021-09-22
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Neutralizing Antibodies to SARS-CoV-2 Selected from a Human Antibody Library Constructed Decades Ago.
Adv Sci, 9, 2022
8IYX
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BU of 8iyx by Molmil
Cryo-EM structure of the GPR34 receptor in complex with the antagonist YL-365
分子名称: 1-[4-(3-chlorophenyl)phenyl]carbonyl-4-[2-(4-phenylmethoxyphenyl)ethanoylamino]piperidine-4-carboxylic acid, Probable G-protein coupled receptor 34,Probable G-protein coupled receptor 34,YL-365
著者Jia, G.W, Wang, X, Zhang, C.B, Dong, H.H, Su, Z.M.
登録日2023-04-06
公開日2024-03-20
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献Cryo-EM structures of human GPR34 enable the identification of selective antagonists.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FY7
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BU of 8fy7 by Molmil
SARS-CoV-2 main protease in complex with covalent inhibitor
分子名称: 3C-like proteinase nsp5, 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-1-[(3S)-2-oxopyrrolidin-3-yl]but-3-en-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide
著者Fried, W, Chen, X.S.
登録日2023-01-25
公開日2023-08-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Alkyne as a Latent Warhead to Covalently Target SARS-CoV-2 Main Protease.
J.Med.Chem., 66, 2023
8FY6
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BU of 8fy6 by Molmil
SARS-CoV-2 main protease in complex with covalent inhibitor
分子名称: (1R,2S,5S)-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-N-{(2R)-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者Fried, W, Chen, X.S.
登録日2023-01-25
公開日2023-08-30
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Alkyne as a Latent Warhead to Covalently Target SARS-CoV-2 Main Protease.
J.Med.Chem., 66, 2023
8Y63
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BU of 8y63 by Molmil
Cryo-EM structure of the C20:0 ceramide-bound FPR2-Gi complex
分子名称: Cer(d18:0/20:0), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Sun, J.P, Jiang, C.T, Kong, W, Yu, X, Cai, K, Guo, L.L.
登録日2024-02-01
公開日2025-02-05
最終更新日2025-06-18
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Metabolic signaling of ceramides through the FPR2 receptor inhibits adipocyte thermogenesis.
Science, 388, 2025
8Y62
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BU of 8y62 by Molmil
Cryo-EM structure of the C16:0 ceramide-bound FPR2-Gi complex
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Sun, J.P, Jiang, C.T, Kong, W, Yu, X, Cai, K, Guo, L.L.
登録日2024-02-01
公開日2025-02-05
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Metabolic signaling of ceramides through the FPR2 receptor inhibits adipocyte thermogenesis.
Science, 388, 2025
8JYS
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BU of 8jys by Molmil
SARS-CoV-2 Spike RBD (dimer) in complex with two 2S-1244 nanobodies
分子名称: IBT-CoV144 nanobody, Spike protein S1
著者Yang, Y, Zhang, C.H.
登録日2023-07-03
公開日2024-06-12
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献A novel nanobody broadly neutralizes SARS-CoV-2 via induction of spike trimer dimers conformation.
Exploration (Beijing), 4, 2024
9KAD
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BU of 9kad by Molmil
Solution NMR structure of an RNA duplex containing pure CAG repeats
分子名称: RNA (5'-R(*GP*CP*AP*GP*CP*AP*GP*CP*AP*GP*CP*AP*GP*C)-3')
著者Guo, P, Wan, L.
登録日2024-10-28
公開日2025-01-22
最終更新日2025-02-12
実験手法SOLUTION NMR
主引用文献Small CAG Repeat RNA Forms a Duplex Structure with Sticky Ends That Promote RNA Condensation.
J.Am.Chem.Soc., 147, 2025
6ULJ
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BU of 6ulj by Molmil
Crystal structure of human GAC in complex with inhibitor UPGL00012
分子名称: 2-phenyl-N-{6-[4-({6-[(phenylacetyl)amino]pyridazin-3-yl}oxy)piperidin-1-yl]pyridazin-3-yl}acetamide, Glutaminase kidney isoform, mitochondrial
著者Huang, Q, Cerione, R.A.
登録日2019-10-08
公開日2020-10-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Crystal structure of human GAC in complex with inhibitor UPGL00045
To Be Published
8GCM
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BU of 8gcm by Molmil
Cryo-EM Structure of the Prostaglandin E Receptor EP4 Coupled to G Protein
分子名称: (5S)-5-[(3R)-4,4-difluoro-3-hydroxy-4-phenylbutyl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-one, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Huang, S.M, Xiong, M.Y, Liu, L, Mu, J, Sheng, C, Sun, J.
登録日2023-03-02
公開日2024-01-03
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
8GCP
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BU of 8gcp by Molmil
Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein
分子名称: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Huang, S.M, Xiong, M.Y, Liu, L, Mu, J, Sheng, C, Sun, J.
登録日2023-03-02
公開日2024-01-03
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
8GD9
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BU of 8gd9 by Molmil
Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein
分子名称: 4-({2-[(1R,2R,3R,5S)-3,5-dihydroxy-2-{(3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]butyl}cyclopentyl]ethyl}sulfanyl)butanoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Shenming, H, Mengyao, X, Lei, L, Yang, D, Sheng, C, Jinpeng, S.
登録日2023-03-03
公開日2024-01-10
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
8WBV
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BU of 8wbv by Molmil
The crystal structure of linear mannose with mutant H247F of the cellobiose 2-epimerase from Caldicellulosiruptor saccharolyticus
分子名称: 1,2-ETHANEDIOL, Cellobiose 2-epimerase, D-mannose, ...
著者Yang, R.J, Feng, Y.H.
登録日2023-09-10
公開日2023-10-25
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A precise swaying map for how promiscuous cellobiose-2-epimerase operate bi-reaction.
Int.J.Biol.Macromol., 253, 2023
8WBU
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BU of 8wbu by Molmil
The crystal structure of circular mannose with mutant H247F of the cellobiose 2-epimerase from Caldicellulosiruptor saccharolyticus
分子名称: Cellobiose 2-epimerase, beta-D-mannopyranose
著者Yang, R.J, Feng, Y.H.
登録日2023-09-10
公開日2023-10-25
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A precise swaying map for how promiscuous cellobiose-2-epimerase operate bi-reaction.
Int.J.Biol.Macromol., 253, 2023
8GDA
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BU of 8gda by Molmil
Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein
分子名称: (2S,5R)-5-[(1E,3S)-4,4-difluoro-3-hydroxy-4-phenylbut-1-en-1-yl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-ol, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Shenming, H, Mengyao, X, Lei, L, Jiangqian, M, Sheng, C, Jinpeng, S.
登録日2023-03-03
公開日2024-01-10
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023

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