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6MDD
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BU of 6mdd by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Imidazo-pyridine 24
分子名称: 5-[(2,3-dichlorophenyl)sulfanyl]-3H-imidazo[4,5-b]pyridin-2-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
著者Fodor, M, Stams, T.
登録日2018-09-04
公開日2019-02-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors.
J. Med. Chem., 62, 2019
1T31
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BU of 1t31 by Molmil
A Dual Inhibitor of the Leukocyte Proteases Cathepsin G and Chymase with Therapeutic Efficacy in Animals Models of Inflammation
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者de Garavilla, L, Greco, M.N, Giardino, E.C, Wells, G.I, Haertlein, B.J, Kauffman, J.A, Corcoran, T.W, Derian, C.K, Eckardt, A.J, Abraham, W.M, Sukumar, N, Chen, Z, Pineda, A.O, Mathews, F.S, Di Cera, E, Andrade-Gordon, P, Damiano, B.P, Maryanoff, B.E, Pereira, P.J.B, Wang, Z.M, Rubin, H, Huber, R, Bode, W, Schechter, N.M, Strobl, S.
登録日2004-04-23
公開日2005-03-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A novel, potent dual inhibitor of the leukocyte proteases cathepsin G and chymase: molecular mechanisms and anti-inflammatory activity in vivo.
J.Biol.Chem., 280, 2005
4MBS
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BU of 4mbs by Molmil
Crystal Structure of the CCR5 Chemokine Receptor
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4,4-difluoro-N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl}-1-phenylpropyl]cyclohexanecarboxamide, Chimera protein of C-C chemokine receptor type 5 and Rubredoxin, ...
著者Tan, Q, Zhu, Y, Han, G.W, Li, J, Fenalti, G, Liu, H, Cherezov, V, Stevens, R.C, GPCR Network (GPCR), Zhao, Q, Wu, B.
登録日2013-08-19
公開日2013-09-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Structure of the CCR5 chemokine receptor-HIV entry inhibitor maraviroc complex.
Science, 341, 2013
7MQY
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BU of 7mqy by Molmil
Zebrafish CNTN4 APLP2 complex
分子名称: Fusion protein of CNTN4 and APLP2
著者Bouyain, S, Karuppan, S.J.
登録日2021-05-07
公開日2022-01-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Members of the vertebrate contactin and amyloid precursor protein families interact through a conserved interface.
J.Biol.Chem., 298, 2021
7MRQ
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BU of 7mrq by Molmil
Chicken CNTN4 FN1-FN3 domains with T751A, V752A, Y781A, E786A mutations
分子名称: Contactin-4
著者Bouyain, S, Karuppan, S.J.
登録日2021-05-08
公開日2022-01-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Members of the vertebrate contactin and amyloid precursor protein families interact through a conserved interface.
J.Biol.Chem., 298, 2021
4QQN
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BU of 4qqn by Molmil
Protein arginine methyltransferase 3 in complex with compound MTV044246
分子名称: 1-{2-[1-(aminomethyl)cyclohexyl]ethyl}-3-isoquinolin-6-ylurea, CHLORIDE ION, GLYCEROL, ...
著者Dong, A, Dobrovetsky, E, Tempel, W, He, H, Zhao, K, Smil, D, Landon, M, Luo, X, Chen, Z, Dai, M, Yu, Z, Lin, Y, Zhang, H, Zhao, K, Schapira, M, Brown, P.J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Structural Genomics Consortium (SGC)
登録日2014-06-27
公開日2014-09-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Discovery of Potent and Selective Allosteric Inhibitors of Protein Arginine Methyltransferase 3 (PRMT3).
J. Med. Chem., 61, 2018
8HLL
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BU of 8hll by Molmil
Crystal structure of p53/BCL2 fusion complex (complex 1)
分子名称: Apoptosis regulator Bcl-2, Cellular tumor antigen p53, ZINC ION
著者Wei, H, Guo, M, Wang, H, Chen, Y.
登録日2022-11-30
公開日2023-07-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Structures of p53/BCL-2 complex suggest a mechanism for p53 to antagonize BCL-2 activity.
Nat Commun, 14, 2023
8HLN
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BU of 8hln by Molmil
Crystal structure of p53/BCL2 fusion complex(complex3)
分子名称: Apoptosis regulator Bcl-2, Cellular tumor antigen p53, ZINC ION
著者Guo, M, Wei, H, Wang, H, Chen, Y.
登録日2022-11-30
公開日2023-07-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.354 Å)
主引用文献Structures of p53/BCL-2 complex suggest a mechanism for p53 to antagonize BCL-2 activity.
Nat Commun, 14, 2023
8HLM
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BU of 8hlm by Molmil
Crystal structure of p53/BCL2 fusion complex (complex 2)
分子名称: Apoptosis regulator Bcl-2, Cellular tumor antigen p53, ZINC ION
著者Guo, M, Wang, H, Wei, H, Chen, Y.
登録日2022-11-30
公開日2023-07-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.522 Å)
主引用文献Structures of p53/BCL-2 complex suggest a mechanism for p53 to antagonize BCL-2 activity.
Nat Commun, 14, 2023
8WW2
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BU of 8ww2 by Molmil
GPR3/Gs complex
分子名称: CHOLESTEROL HEMISUCCINATE, G-protein coupled receptor 3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者He, Y, Xiong, Y.
登録日2023-10-24
公開日2024-02-14
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (2.79 Å)
主引用文献Identification of oleic acid as an endogenous ligand of GPR3.
Cell Res., 34, 2024
1RYG
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BU of 1ryg by Molmil
Three dimensional solution structure of the R29A MUTANT of sodium channels inhibitor HAINANTOXIN-IV by 2D 1H-NMR
分子名称: Hainantoxin-IV
著者Li, D, Lu, S, Gu, X, Liang, S.
登録日2003-12-22
公開日2004-01-13
最終更新日2021-11-10
実験手法SOLUTION NMR
主引用文献Structure--activity relationships of hainantoxin-IV and structure determination of active and inactive sodium channel blockers
J.Biol.Chem., 279, 2004
7MRO
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BU of 7mro by Molmil
Zebrafish CNTN4 FN1-FN3 domains
分子名称: Contactin-4
著者Bouyain, S, Karuppan, S.J.
登録日2021-05-07
公開日2022-01-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Members of the vertebrate contactin and amyloid precursor protein families interact through a conserved interface.
J.Biol.Chem., 298, 2021
7MRS
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BU of 7mrs by Molmil
Zebrafish CNTN4 APPb complex
分子名称: Amyloid-beta A4 protein, Contactin-4
著者Bouyain, S, Karuppan, S.J.
登録日2021-05-09
公開日2022-01-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Members of the vertebrate contactin and amyloid precursor protein families interact through a conserved interface.
J.Biol.Chem., 298, 2021
7MRM
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BU of 7mrm by Molmil
Chicken CNTN3 APP complex
分子名称: Fusion protein of Chicken CNTN3 FN1-FN2 domains and Amyloid-beta A4 protein,Amyloid-beta A4 protein, SULFATE ION
著者Bouyain, S, Karuppan, S.J.
登録日2021-05-07
公開日2022-01-05
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Members of the vertebrate contactin and amyloid precursor protein families interact through a conserved interface.
J.Biol.Chem., 298, 2021
7MRK
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BU of 7mrk by Molmil
Chicken CNTN4 APP complex
分子名称: Amyloid-beta A4 protein, Contactin-4, DI(HYDROXYETHYL)ETHER
著者Bouyain, S, Karuppan, S.J.
登録日2021-05-07
公開日2022-01-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Members of the vertebrate contactin and amyloid precursor protein families interact through a conserved interface.
J.Biol.Chem., 298, 2021
7MRN
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BU of 7mrn by Molmil
Mouse CNTN5 APP complex
分子名称: Contactin-5, N-APP
著者Bouyain, S, Karuppan, S.J.
登録日2021-05-07
公開日2022-01-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Members of the vertebrate contactin and amyloid precursor protein families interact through a conserved interface.
J.Biol.Chem., 298, 2021
5HBZ
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BU of 5hbz by Molmil
Structure of EAV NSP11 K170A mutant at 3.10A
分子名称: Non-structural protein 11
著者Zhang, M.F, Chen, Z.Z.
登録日2016-01-04
公開日2016-10-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural Biology of the Arterivirus nsp11 Endoribonucleases.
J. Virol., 91, 2017
5HC1
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BU of 5hc1 by Molmil
Structure of EAV NSP11 H141A mutant at 3.10A
分子名称: Non-structural protein 11
著者Zhang, M.F, Chen, Z.Z.
登録日2016-01-04
公開日2016-10-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural Biology of the Arterivirus nsp11 Endoribonucleases.
J. Virol., 91, 2017
8HXQ
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BU of 8hxq by Molmil
Nanobody1 in complex with human BCMA ECD
分子名称: Nanobody1, Tumor necrosis factor receptor superfamily member 17
著者Sun, Y, Zhang, B.
登録日2023-01-05
公開日2024-01-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Antigen-induced chimeric antigen receptor multimerization amplifies on-tumor cytotoxicity.
Signal Transduct Target Ther, 8, 2023
8HXR
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BU of 8hxr by Molmil
Nanobody2 in complex with human BCMA ECD
分子名称: Nanobody2, Tumor necrosis factor receptor superfamily member 17
著者Sun, Y, Zhang, B.
登録日2023-01-05
公開日2024-01-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Antigen-induced chimeric antigen receptor multimerization amplifies on-tumor cytotoxicity.
Signal Transduct Target Ther, 8, 2023
1RYV
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BU of 1ryv by Molmil
Three dimensional solution structure of the K27A MUTANT of sodium channels inhibitor HAINANTOXIN-IV BY 2D 1H-NMR
分子名称: Hainantoxin-IV
著者Li, D, Lu, S, Gu, X, Liang, S.
登録日2003-12-22
公開日2004-01-13
最終更新日2021-11-10
実験手法SOLUTION NMR
主引用文献Structure--activity relationships of hainantoxin-IV and structure determination of active and inactive sodium channel blockers
J.Biol.Chem., 279, 2004
6AKO
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BU of 6ako by Molmil
Crystal Structure of FOXC2 DBD Bound to DBE2 DNA
分子名称: DNA (5'-D(CP*AP*AP*AP*AP*TP*GP*TP*AP*AP*AP*CP*AP*AP*GP*A)-3'), DNA (5'-D(TP*CP*TP*TP*GP*TP*TP*TP*AP*CP*AP*TP*TP*TP*TP*G)-3'), Forkhead box protein C2, ...
著者Chen, X, Wei, H, Li, J, Liang, X, Dai, S, Jiang, L, Guo, M, Chen, Y.
登録日2018-09-03
公開日2019-02-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.396 Å)
主引用文献Structural basis for DNA recognition by FOXC2.
Nucleic Acids Res., 47, 2019
6LBM
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Crystal Structure of FOXC2-DBD bound to a palindromic DNA sequence
分子名称: Forkhead box protein C2, IRE0, MAGNESIUM ION
著者Li, J, Dai, S.Y.
登録日2019-11-14
公開日2021-02-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.841 Å)
主引用文献Mechanism of forkhead transcription factors binding to a novel palindromic DNA site.
Nucleic Acids Res., 49, 2021
6LBI
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Crystal Structure of FOXO1-DBD homodimer bound to a palindromic DNA sequence
分子名称: Forkhead box protein O1, IRE0
著者Li, J, Dai, S.Y, Chen, Y.H.
登録日2019-11-14
公開日2021-02-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.067 Å)
主引用文献Mechanism of forkhead transcription factors binding to a novel palindromic DNA site.
Nucleic Acids Res., 49, 2021
7Y9N
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an engineered 5-helix bundle derived from SARS-CoV-2 S2 in complex with HR2P
分子名称: SARS-coV-2 S2 subunit, Spike protein S2',5HB-H2
著者Lu, G.W, Lin, X, Guo, L.Y, Lin, S.
登録日2022-06-25
公開日2022-08-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.885 Å)
主引用文献An engineered 5-helix bundle derived from SARS-CoV-2 S2 pre-binds sarbecoviral spike at both serological- and endosomal-pH to inhibit virus entry.
Emerg Microbes Infect, 11, 2022

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