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5Y9P
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BU of 5y9p by Molmil
Staphylococcus aureus RNase HII
分子名称: GLYCEROL, Ribonuclease HII
著者Hang, T, Wu, M, Zhang, X.
登録日2017-08-26
公開日2018-08-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural insights into a novel functional dimer of Staphylococcus aureus RNase HII
Biochem. Biophys. Res. Commun., 503, 2018
5TTS
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BU of 5tts by Molmil
Jak3 with covalent inhibitor 4
分子名称: 1-{(3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one, Tyrosine-protein kinase JAK3
著者Vajdos, F.F.
登録日2016-11-04
公開日2017-02-22
最終更新日2017-03-22
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans.
J. Med. Chem., 60, 2017
5TTV
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BU of 5ttv by Molmil
Jak3 with covalent inhibitor 6
分子名称: N-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]propanamide, Tyrosine-protein kinase JAK3
著者Vajdos, F.F.
登録日2016-11-04
公開日2017-02-22
最終更新日2017-03-22
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans.
J. Med. Chem., 60, 2017
7F2O
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BU of 7f2o by Molmil
Cryo-EM structure of the type 2 bradykinin receptor in complex with the bradykinin and an Gq protein
分子名称: ARG-PRO-PRO-GLY-PHE-SER-PRO-PHE-ARG, B2 bradykinin receptor, G subunit q (Gi1-Gq chimeric), ...
著者Yin, Y, Jiang, Y.
登録日2021-06-11
公開日2021-10-13
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Molecular basis for kinin selectivity and activation of the human bradykinin receptors.
Nat.Struct.Mol.Biol., 28, 2021
6J04
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BU of 6j04 by Molmil
Crystal structure of full length human LC3B delta G120 mutant (2_125)
分子名称: Microtubule-associated proteins 1A/1B light chain 3B, SULFATE ION
著者Ding, Y, Lu, B.X, Wang, Z.Y.
登録日2018-12-21
公開日2019-11-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.899 Å)
主引用文献Allele-selective lowering of mutant HTT protein by HTT-LC3 linker compounds
Nature, 575, 2019
8TJL
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BU of 8tjl by Molmil
EGFR kinase in complex with pyrazolopyrimidine covalent inhibitor
分子名称: 1-{3-[(4-amino-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)oxy]azetidin-1-yl}propan-1-one, Epidermal growth factor receptor
著者Beyett, T.S, Eck, M.J.
登録日2023-07-22
公開日2024-02-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献ZNL0325, a Pyrazolopyrimidine-Based Covalent Probe, Demonstrates an Alternative Binding Mode for Kinases.
J.Med.Chem., 67, 2024
7O7K
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BU of 7o7k by Molmil
Crystal structure of the human DYRK1A kinase domain bound to abemaciclib
分子名称: 1,2-ETHANEDIOL, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ...
著者Kaltheuner, I.H, Anand, K, Geyer, M.
登録日2021-04-13
公開日2021-11-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Abemaciclib is a potent inhibitor of DYRK1A and HIP kinases involved in transcriptional regulation.
Nat Commun, 12, 2021
7O7I
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Crystal structure of the human HIPK3 kinase domain
分子名称: 1,2-ETHANEDIOL, Homeodomain-interacting protein kinase 3
著者Kaltheuner, I.H, Anand, K, Geyer, M.
登録日2021-04-13
公開日2021-11-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Abemaciclib is a potent inhibitor of DYRK1A and HIP kinases involved in transcriptional regulation.
Nat Commun, 12, 2021
7O7J
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BU of 7o7j by Molmil
Crystal structure of the human HIPK3 kinase domain bound to abemaciclib
分子名称: Homeodomain-interacting protein kinase 3, N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py rimidin-2-amine
著者Kaltheuner, I.H, Anand, K, Geyer, M.
登録日2021-04-13
公開日2021-11-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Abemaciclib is a potent inhibitor of DYRK1A and HIP kinases involved in transcriptional regulation.
Nat Commun, 12, 2021
6FV2
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BU of 6fv2 by Molmil
Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide (cinnamoyl-phenylalanine-GlnLactam-CO-CO-NH-benzyl)
分子名称: (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide, 3C-like proteinase, GLYCEROL
著者Zhang, L, Hilgenfeld, R.
登録日2018-02-28
公開日2019-03-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication Structure-based design, synthesis, and activity assessment.
J.Med.Chem., 2020
4R7I
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BU of 4r7i by Molmil
Crystal structure of FMS kinase domain with a small molecular inhibitor, GLEEVEC
分子名称: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Macrophage colony-stimulating factor 1 receptor
著者Zhang, Y, Zhang, C.
登録日2014-08-27
公開日2015-08-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structure-Guided Blockade of CSF1R Kinase in Tenosynovial Giant-Cell Tumor.
N Engl J Med, 373, 2015
5Y2G
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BU of 5y2g by Molmil
Structure of MBP tagged GBS CAMP
分子名称: Maltose-binding periplasmic protein,Protein B, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Jin, T, Li, Y.
登録日2017-07-25
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure determination of the CAMP factor of Streptococcus agalactiae with the aid of an MBP tag and insights into membrane-surface attachment.
Acta Crystallogr D Struct Biol, 75, 2019
5N19
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BU of 5n19 by Molmil
Structure of SARS coronavirus main protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide
分子名称: (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide, DIMETHYL SULFOXIDE, SARS coronavirus main protease
著者Zhang, L, Ma, Q, Hilgenfeld, R.
登録日2017-02-05
公開日2018-02-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published
5GOH
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BU of 5goh by Molmil
Lys33-linked di-ubiquitin
分子名称: D-ubiquitin, Ubiquitin
著者Gao, S, Pan, M, Zheng, Y, Liu, L.
登録日2016-07-27
公開日2016-11-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.946 Å)
主引用文献Monomer/Oligomer Quasi-Racemic Protein Crystallography
J.Am.Chem.Soc., 138, 2016
2Z8O
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BU of 2z8o by Molmil
Structural basis for the catalytic mechanism of phosphothreonine lyase
分子名称: 27.5 kDa virulence protein, L(+)-TARTARIC ACID
著者Chen, L, Wang, H, Gu, L, Huang, N, Zhou, J.M, Chai, J.
登録日2007-09-07
公開日2007-12-18
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for the catalytic mechanism of phosphothreonine lyase.
Nat.Struct.Mol.Biol., 15, 2008
5GO8
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BU of 5go8 by Molmil
Linear tetra-ubiquitin
分子名称: D-ubiquitin, ubiquitin
著者Gao, S, Pan, M, Zheng, Y.
登録日2016-07-26
公開日2016-11-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Monomer/Oligomer Quasi-Racemic Protein Crystallography
J.Am.Chem.Soc., 138, 2016
5GOD
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BU of 5god by Molmil
Lys27-linked di-ubiquitin
分子名称: D-ubiquitin, MAGNESIUM ION, Ubiquitin
著者Gao, S, Pan, M, Zheng, Y.
登録日2016-07-26
公開日2016-11-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Monomer/Oligomer Quasi-Racemic Protein Crystallography
J.Am.Chem.Soc., 138, 2016
5GOJ
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BU of 5goj by Molmil
Lys63-linked di-ubiquitin
分子名称: D-ubiquitin, Ubiquitin
著者Gao, S, Pan, M, Zheng, Y, Liu, L.
登録日2016-07-27
公開日2016-11-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.549 Å)
主引用文献Monomer/Oligomer Quasi-Racemic Protein Crystallography
J.Am.Chem.Soc., 138, 2016
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
6JG8
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BU of 6jg8 by Molmil
Crystal structure of AimR in complex with DNA
分子名称: AimR transcriptional regulator, DNA (31-MER)
著者Guan, Z.Y, Pei, K, Zou, T.T.
登録日2019-02-13
公開日2019-07-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.097 Å)
主引用文献Structural insights into DNA recognition by AimR of the arbitrium communication system in the SPbeta phage.
Cell Discov, 5, 2019
7KZE
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BU of 7kze by Molmil
Substrate-dependent divergence of leukotriene A4 hydrolase aminopeptidase activity
分子名称: 1-benzyl-4-methoxybenzene, Leukotriene A-4 hydrolase, TRIETHYLENE GLYCOL, ...
著者Lee, K.H, Shim, Y, Paige, M, Noble, S.M.
登録日2020-12-10
公開日2022-06-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Substrate-dependent modulation of the leukotriene A 4 hydrolase aminopeptidase activity and effect in a murine model of acute lung inflammation.
Sci Rep, 12, 2022
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
3CVR
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BU of 3cvr by Molmil
Crystal structure of the full length IpaH3
分子名称: Invasion plasmid antigen
著者Zhu, Y, Shao, F.
登録日2008-04-19
公開日2008-11-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of a Shigella effector reveals a new class of ubiquitin ligases
Nat.Struct.Mol.Biol., 15, 2008
7C2L
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BU of 7c2l by Molmil
S protein of SARS-CoV-2 in complex bound with 4A8
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Yan, R.H, Zhang, Y.Y, Guo, Y.Y, Li, Y.N, Xia, L, Zhou, Q.
登録日2020-05-08
公開日2020-07-01
最終更新日2021-02-17
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献A neutralizing human antibody binds to the N-terminal domain of the Spike protein of SARS-CoV-2.
Science, 369, 2020
5NFS
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BU of 5nfs by Molmil
Structure of coxsackievirus B3 3C protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide (cinnamoyl-phenylalanine-GlnLactam-CO-CO-NH-benzyl)
分子名称: (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide, Genome polyprotein
著者Ma, Q, Zhang, L, Hilgenfeld, R.
登録日2017-03-15
公開日2018-05-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published

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件を2024-08-07に公開中

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