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8FY1
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BU of 8fy1 by Molmil
E3:PROTAC:target ternary complex structure (VCB/753b/BCL-2)
分子名称: Apoptosis regulator Bcl-2, Elongin-B, Elongin-C, ...
著者Nayak, D, Lv, D, Yuan, Y, Zhang, P, Hu, W, Lv, Z, Sung, P, Hromas, R, Zheng, G, Zhou, D, Olsen, S.K.
登録日2023-01-25
公開日2024-04-10
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Development and crystal structures of a potent second-generation dual degrader of BCL-2 and BCL-xL.
Nat Commun, 15, 2024
8FY0
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BU of 8fy0 by Molmil
E3:PROTAC:target ternary complex structure (VCB/753b/BCL-xL)
分子名称: Bcl-2-like protein 1, CACODYLIC ACID, Elongin-B, ...
著者Olsen, S.K, Nayak, D, Lv, D, Yuan, Y, Zhang, P, Hu, W, Lv, Z, Sung, P, Hromas, R, Zheng, G, Zhou, D.
登録日2023-01-25
公開日2024-04-10
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Development and crystal structures of a potent second-generation dual degrader of BCL-2 and BCL-xL.
Nat Commun, 15, 2024
7HSC
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BU of 7hsc by Molmil
HIGH RESOLUTION SOLUTION STRUCTURE OF THE HEAT SHOCK COGNATE-70 KD SUBSTRATE BINDING DOMAIN OBTAINED BY MULTIDIMENSIONAL NMR TECHNIQUES
分子名称: PROTEIN (HEAT SHOCK COGNATE 70 KD PROTEIN 1)
著者Morshauser, R.C, Hu, W, Wang, H, Pang, Y, Flynn, G.C, Zuiderweg, E.R.P.
登録日1999-05-03
公開日1999-05-10
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献High-resolution solution structure of the 18 kDa substrate-binding domain of the mammalian chaperone protein Hsc70.
J.Mol.Biol., 289, 1999
8JR9
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BU of 8jr9 by Molmil
Small molecule agonist (PCO371) bound to human parathyroid hormone receptor type 1 (PTH1R)
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(s) subunit alpha-1, ...
著者Zhao, L, He, Q, Yuan, Q, Gu, Y, He, X, Shan, H, Li, J, Wang, K, Li, Y, Hu, W, Wu, K, Shen, J, Xu, H.E.
登録日2023-06-16
公開日2023-08-02
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (2.57 Å)
主引用文献Conserved class B GPCR activation by a biased intracellular agonist.
Nature, 621, 2023
8X7A
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BU of 8x7a by Molmil
Treprostinil bound Prostacyclin Receptor G protein 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(s) subunit alpha isoforms short,GNAS complex locus, ...
著者Wang, J.J, Jin, S, Zhang, H, Xu, Y, Hu, W, Jiang, Y, Chen, C, Wang, D.W, Xu, H.E, Wu, C.
登録日2023-11-23
公開日2024-03-06
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (2.56 Å)
主引用文献Molecular recognition and activation of the prostacyclin receptor by anti-pulmonary arterial hypertension drugs.
Sci Adv, 10, 2024
8X79
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BU of 8x79 by Molmil
MRE-269 bound Prostacyclin Receptor G protein complex
分子名称: 2-[4-[(5,6-diphenylpyrazin-2-yl)-propan-2-yl-amino]butoxy]ethanoic acid, 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Wang, J.J, Jin, S, Zhang, H, Xu, Y, Hu, W, Jiang, Y, Chen, C, Wang, D.W, Xu, H.E, Wu, C.
登録日2023-11-23
公開日2024-03-06
実験手法ELECTRON MICROSCOPY (2.41 Å)
主引用文献Molecular recognition and activation of the prostacyclin receptor by anti-pulmonary arterial hypertension drugs.
Sci Adv, 10, 2024
8WSS
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BU of 8wss by Molmil
Cryo-EM structure of Melanin-Concentrating Hormone Receptor 1 with MCH
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Zhao, L, He, Q, Yuan, Q, Gu, Y, Shan, H, Hu, W, Wu, K, Xu, H.E, Zhang, Y, Wu, C.
登録日2023-10-17
公開日2024-06-19
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.01 Å)
主引用文献Mechanisms of ligand recognition and activation of melanin-concentrating hormone receptors.
Cell Discov, 10, 2024
8WST
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BU of 8wst by Molmil
Cryo-EM structure of Melanin-Concentrating Hormone Receptor 2 with MCH
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(q) subunit alpha-1, ...
著者Zhao, L, He, Q, Yuan, Q, Gu, Y, Shan, H, Hu, W, Wu, K, Xu, H.E, Zhang, Y, Wu, C.
登録日2023-10-17
公開日2024-06-19
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Mechanisms of ligand recognition and activation of melanin-concentrating hormone receptors.
Cell Discov, 10, 2024
7V6V
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BU of 7v6v by Molmil
trimolecular G-quadruplexes consists of a hairpin motif and two short chains
分子名称: DNA (5'-D(*CP*AP*GP*GP*GP*AP*GP*GP*GP*T)-3'), DNA (5'-D(*TP*GP*GP*GP*A)-3')
著者Zhang, N, Jing, H.T, Hu, W.X.
登録日2021-08-20
公開日2023-02-08
最終更新日2024-05-15
実験手法SOLID-STATE NMR
主引用文献Conversion to Trimolecular G-Quadruplex by Spontaneous Hoogsteen Pairing-Based Strand Displacement Reaction between Bimolecular G-Quadruplex and Double G-Rich Probes.
J.Am.Chem.Soc., 2023
4DDP
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BU of 4ddp by Molmil
crystal structure of Beclin 1 evolutionarily conserved domain(ECD)
分子名称: Beclin-1
著者Huang, W.J, Choi, W.Y, Wang, J.W, Shi, Y.G.
登録日2012-01-19
公開日2012-02-22
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.547 Å)
主引用文献Crystal structure and biochemical analyses reveal Beclin 1 as a novel membrane binding protein
Cell Res., 2012
2PX9
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BU of 2px9 by Molmil
The intrinsic affinity between E2 and the Cys domain of E1 in Ubiquitin-like modifications
分子名称: SUMO-activating enzyme subunit 2, SUMO-conjugating enzyme UBC9
著者Wang, J.H, Hu, W.D, Cai, S, Lee, B, Song, J, Chen, Y.
登録日2007-05-14
公開日2007-07-24
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The intrinsic affinity between E2 and the Cys domain of E1 in ubiquitin-like modifications.
Mol.Cell, 27, 2007
4M5F
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BU of 4m5f by Molmil
complex structure of Tse3-Tsi3
分子名称: CALCIUM ION, PHOSPHATE ION, Uncharacterized protein
著者Gu, L.C.
登録日2013-08-08
公開日2014-04-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural insights into the T6SS effector protein Tse3 and the Tse3-Tsi3 complex from Pseudomonas aeruginosa reveal a calcium-dependent membrane-binding mechanism
Mol.Microbiol., 92, 2014
4UXL
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BU of 4uxl by Molmil
Structure of Human ROS1 Kinase Domain in Complex with PF-06463922
分子名称: (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ROS
著者McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A.
登録日2014-08-25
公開日2015-03-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Pf-06463922 is a Potent and Selective Next-Generation Ros1/Alk Inhibitor Capable of Blocking Crizotinib-Resistant Ros1 Mutations.
Proc.Natl.Acad.Sci.USA, 112, 2015
6O6L
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BU of 6o6l by Molmil
The Structure of EgtB(Cabther) in complex with Hercynine
分子名称: EgtB (Cabther), FE (III) ION, N,N,N-trimethyl-histidine
著者Irani, S, Zhang, Y.
登録日2019-03-07
公開日2019-07-31
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal Structure of the Ergothioneine Sulfoxide Synthase fromCandidatus Chloracidobacterium thermophilumand Structure-Guided Engineering To Modulate Its Substrate Selectivity.
Acs Catalysis, 9, 2019
8XYD
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BU of 8xyd by Molmil
Structure of Platelet-activating factor receptor-G protein complex bound to platelet-activating factor
分子名称: (2R)-2-(acetyloxy)-3-(hexadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate, 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Fan, W, Xu, Y, Zhuang, Y, Xu, H.E.
登録日2024-01-19
公開日2024-11-13
最終更新日2024-11-27
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Molecular basis for the activation of PAF receptor by PAF.
Cell Rep, 43, 2024
8IGZ
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BU of 8igz by Molmil
Xcc NAMPT Quadruple mutant
分子名称: Pre-B cell enhancing factor related protein
著者Xu, G.L, Ming, Z.H.
登録日2023-02-21
公開日2024-02-28
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Structural insights into Xanthomonas campestris pv. campestris NAD + biosynthesis via the NAM salvage pathway.
Commun Biol, 7, 2024
4W2R
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BU of 4w2r by Molmil
Structure of Hs/AcPRC2 in complex with 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one
分子名称: 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, ...
著者Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E.
登録日2017-09-25
公開日2017-12-27
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497).
J. Med. Chem., 61, 2018
5VSB
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BU of 5vsb by Molmil
Structure of DUB complex
分子名称: 7-chloro-3-{[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl}quinazolin-4(3H)-one, Ubiquitin carboxyl-terminal hydrolase 7
著者Seo, H.-S, Dhe-Paganon, S.
登録日2017-05-11
公開日2017-12-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7.
Cell Chem Biol, 24, 2017
5VS6
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BU of 5vs6 by Molmil
Structure of DUB complex
分子名称: ACETATE ION, GLYCEROL, N-[3-({4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl}methyl)-4-oxo-3,4-dihydroquinazolin-7-yl]-3-(4-methylpiperazin-1-yl)propanamide, ...
著者Seo, H.-S, Dhe-Paganon, S.
登録日2017-05-11
公開日2017-12-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7.
Cell Chem Biol, 24, 2017
1Y29
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BU of 1y29 by Molmil
Three dimensional solution structure of huwentoxin-x by 2D 1H-NMR
分子名称: huwentoxin-x
著者Liu, Z, Liang, S.
登録日2004-11-22
公開日2004-12-07
最終更新日2024-10-30
実験手法SOLUTION NMR
主引用文献Function and solution structure of Huwentoxin-X, a specific blocker of N-type calcium channels, from the Chinese bird spider Ornithoctonus huwena
J.Biol.Chem., 281, 2006
8JED
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BU of 8jed by Molmil
Crystal structure of mRNA cap (guanine-N7) methyltransferase E12 subunit from monkeypox virus and discovery of its inhibitors
分子名称: mRNA-capping enzyme regulatory subunit OPG124
著者Wang, D, Zhao, R, Shu, W, Hu, W, Wang, M, Cao, J, Zhou, X.
登録日2023-05-15
公開日2023-12-06
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Crystal structure of mRNA cap (guanine-N7) methyltransferase E12 subunit from monkeypox virus and discovery of its inhibitors.
Int.J.Biol.Macromol., 253, 2023
2FEK
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BU of 2fek by Molmil
Structure of a protein tyrosine phosphatase
分子名称: Low molecular weight protein-tyrosine-phosphatase wzb
著者Lescop, E, Jin, C.
登録日2005-12-16
公開日2006-05-09
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献The solution structure of Escherichia coli Wzb reveals a novel substrate recognition mechanism of prokaryotic low molecular weight protein-tyrosine phosphatases
J.Biol.Chem., 281, 2006
5L2I
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BU of 5l2i by Molmil
The X-ray co-crystal structure of human CDK6 and Palbociclib.
分子名称: 6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, Cyclin-dependent kinase 6
著者Chen, P, Ferre, R.A, Deihl, W, Yu, X, He, Y.-A.
登録日2016-08-01
公開日2016-08-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance.
Mol.Cancer Ther., 15, 2016
5L2S
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BU of 5l2s by Molmil
The X-ray co-crystal structure of human CDK6 and Abemaciclib.
分子名称: Cyclin-dependent kinase 6, 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Chen, P, Ferre, R.A, Deihl, W, Yu, X, He, Y.-A.
登録日2016-08-02
公開日2016-08-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance.
Mol.Cancer Ther., 15, 2016
5L2W
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BU of 5l2w by Molmil
The X-ray co-crystal structure of human CDK2/CyclinE and Dinaciclib.
分子名称: 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1, ...
著者Chen, P, Ferre, R.A, Deihl, W, Yu, X, He, Y.-A.
登録日2016-08-02
公開日2016-08-24
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance.
Mol.Cancer Ther., 15, 2016

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