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6U6W
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Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
分子名称: 5-bromo-N-(5-chloro-2-hydroxyphenyl)-2-methoxybenzene-1-sulfonamide, WD repeat-containing protein 5
著者Zhao, B, Wang, F.
登録日2019-08-30
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5-MYC Protein-Protein Interaction.
J.Med.Chem., 62, 2019
6U8B
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Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
分子名称: 3-{[(5-bromo-2-methoxyphenyl)sulfonyl]amino}-5-chloro-2-hydroxybenzoic acid, WD repeat-containing protein 5
著者Zhao, B, Wang, F.
登録日2019-09-04
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.261 Å)
主引用文献Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5-MYC Protein-Protein Interaction.
J.Med.Chem., 62, 2019
6HEC
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PAN-proteasome in state 4
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Majumder, P, Rudack, T, Beck, F, Baumeister, W.
登録日2018-08-20
公開日2018-12-26
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (6.95 Å)
主引用文献Cryo-EM structures of the archaeal PAN-proteasome reveal an around-the-ring ATPase cycle.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
3E4H
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Crystal structure of the cyclotide varv F
分子名称: Varv peptide F,Varv peptide F
著者Hu, S.H.
登録日2008-08-11
公開日2009-02-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Combined X-ray and NMR Analysis of the Stability of the Cyclotide Cystine Knot Fold That Underpins Its Insecticidal Activity and Potential Use as a Drug Scaffold
J.Biol.Chem., 284, 2009
6UKJ
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Single-Particle Cryo-EM Structure of Plasmodium falciparum Chloroquine Resistance Transporter (PfCRT) 7G8 Isoform
分子名称: CHOLESTEROL HEMISUCCINATE, Chloroquine resistance transporter, Fab Heavy Chain, ...
著者Kim, J, Tan, Y.Z, Wicht, K.J, Erramilli, S.K, Dhingra, S.K, Okombo, J, Vendome, J, Hagenah, L.M, Giacometti, S.I, Warren, A.L, Nosol, K, Roepe, P.D, Potter, C.S, Carragher, B, Kossiakoff, A.A, Quick, M, Fidock, D.A, Mancia, F.
登録日2019-10-05
公開日2019-12-04
最終更新日2020-01-08
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure and drug resistance of the Plasmodium falciparum transporter PfCRT.
Nature, 576, 2019
6HE7
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20S proteasome from Archaeoglobus fulgidus
分子名称: Proteasome subunit alpha, Proteasome subunit beta
著者Majumder, P, Rudack, T, Beck, F, Baumeister, W.
登録日2018-08-20
公開日2018-12-26
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.69 Å)
主引用文献Cryo-EM structures of the archaeal PAN-proteasome reveal an around-the-ring ATPase cycle.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6U8O
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Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
分子名称: 5-bromo-N-[5-(1-cyanocyclobutyl)-2-hydroxyphenyl]-2-hydroxybenzene-1-sulfonamide, WD repeat-containing protein 5
著者Zhao, B, Wang, F.
登録日2019-09-05
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5-MYC Protein-Protein Interaction.
J.Med.Chem., 62, 2019
6U8L
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Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
分子名称: 3-{[(5-bromo-2-hydroxyphenyl)sulfonyl]amino}-5-cyclopropyl-6-fluoro-2-hydroxybenzoic acid, N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]isoquinolin-1-amine, WD repeat-containing protein 5
著者Zhao, B, Wang, F.
登録日2019-09-05
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5-MYC Protein-Protein Interaction.
J.Med.Chem., 62, 2019
4BED
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Keyhole limpet hemocyanin (KLH): 9A cryoEM structure and molecular model of the KLH1 didecamer reveal the interfaces and intricate topology of the 160 functional units
分子名称: CU2-O2 CLUSTER, HEMOCYANIN KLH1
著者Gatsogiannis, C, Markl, J.
登録日2013-03-08
公開日2013-12-25
最終更新日2018-10-03
実験手法ELECTRON MICROSCOPY (9 Å)
主引用文献Keyhole Limpet Hemocyanin: 9-A Cryoem Structure and Molecular Model of the Klh1 Didecamer Reveal the Interfaces and Intricate Topology of the 160 Functional Units.
J.Mol.Biol., 385, 2009
6KO6
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Crystal structure of AMPPNP bound Cka1 from C. neoformans
分子名称: CMGC/CK2 protein kinase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Cho, H.S, Yoo, Y.
登録日2019-08-08
公開日2019-11-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural analysis of fungal pathogenicity-related casein kinase alpha subunit, Cka1, in the human fungal pathogen Cryptococcus neoformans.
Sci Rep, 9, 2019
6UMT
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High-affinity human PD-1 PD-L2 complex
分子名称: MAGNESIUM ION, Programmed cell death 1 ligand 2, Programmed cell death protein 1
著者Tang, S, Kim, P.S.
登録日2019-10-10
公開日2019-11-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.986 Å)
主引用文献A high-affinity human PD-1/PD-L2 complex informs avenues for small-molecule immune checkpoint drug discovery.
Proc.Natl.Acad.Sci.USA, 116, 2019
6UMU
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Human apo PD-1 triple mutant
分子名称: CHLORIDE ION, Programmed cell death protein 1
著者Tang, S, Kim, P.S.
登録日2019-10-10
公開日2019-11-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.183 Å)
主引用文献A high-affinity human PD-1/PD-L2 complex informs avenues for small-molecule immune checkpoint drug discovery.
Proc.Natl.Acad.Sci.USA, 116, 2019
3ET9
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Crystal structure of the engineered neutralizing antibody 1H
分子名称: Antibody 1H light chain and antibody 1H heavy chain linked with a synthetic (GGGGS)4 linker
著者Leysath, C.E, Monzingo, A.F, Barnett, J, Iverson, B.L, Georgiou, G, Robertus, J.D.
登録日2008-10-07
公開日2009-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the engineered neutralizing antibody m18 complexed to domain 4 of the anthrax protective antigen.
J.Mol.Biol., 387, 2009
3ESV
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Crystal structure of the engineered neutralizing antibody M18
分子名称: Antibody M18 light chain and antibody M18 heavy chain linked with a synthetic (GGGGS)4 linker
著者Monzingo, A.F, Leysath, C.E, Barnett, J, Iverson, B.L, Georgiou, G, Robertus, J.D.
登録日2008-10-06
公開日2009-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the engineered neutralizing antibody m18 complexed to domain 4 of the anthrax protective antigen.
J.Mol.Biol., 387, 2009
4BFD
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CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH CHEMICAL LIGAND
分子名称: BETA-SECRETASE 1, DIMETHYL SULFOXIDE, N-[3-[(1S,3S,6S)-5-azanyl-3-methyl-4-azabicyclo[4.1.0]hept-4-en-3-yl]-4-fluoranyl-phenyl]-5-chloranyl-pyridine-2-carbox amide, ...
著者Banner, D.W, Benz, J, Stihle, M.
登録日2013-03-18
公開日2013-06-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Bace1 Inhibitors: A Head Group Scan on a Series of Amides.
Bioorg.Med.Chem.Lett., 23, 2013
4BEK
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CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH CHEMICAL LIGAND
分子名称: (4S)-4-(4-methoxyphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine, BETA-SECRETASE 1, DIMETHYL SULFOXIDE, ...
著者Banner, D.W, Benz, J, Stihle, M.
登録日2013-03-11
公開日2013-06-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Bace1 Inhibitors: A Head Group Scan on a Series of Amides.
Bioorg.Med.Chem.Lett., 23, 2013
3HB5
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Binary and ternary crystal structures of a novel inhibitor of 17 beta-HSD type 1: a lead compound for breast cancer therapy
分子名称: 3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide, Estradiol 17-beta-dehydrogenase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Mazumdar, M, Lin, S.-X.
登録日2009-05-04
公開日2009-12-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Binary and ternary crystal structure analyses of a novel inhibitor with 17beta-HSD type 1: a lead compound for breast cancer therapy.
Biochem.J., 424, 2009
6J1U
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influenza virus nucleoprotein with a specific inhibitor
分子名称: Nucleoprotein, ~{N}-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
著者Pang, B, Zhang, W.Z, Zhang, H.M, Hao, Q.
登録日2018-12-29
公開日2020-01-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of a Novel Specific Inhibitor Targeting Influenza A Virus Nucleoprotein with Pleiotropic Inhibitory Effects on Various Steps of the Viral Life Cycle.
J.Virol., 95, 2021
6LHC
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BU of 6lhc by Molmil
The cryo-EM structure of coxsackievirus A16 empty particle
分子名称: VP1, VP2, VP3
著者He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W.
登録日2019-12-07
公開日2020-02-05
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.43 Å)
主引用文献Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020
6LHL
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The cryo-EM structure of coxsackievirus A16 A-particle in complex with Fab 18A7
分子名称: VP1 protein, VP2 protein, VP3 protein
著者He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W.
登録日2019-12-09
公開日2020-02-05
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020
6LHB
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The cryo-EM structure of coxsackievirus A16 A-particle
分子名称: VP1, VP2, VP3
著者He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W.
登録日2019-12-07
公開日2020-02-05
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.33 Å)
主引用文献Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020
3GUS
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Crystal strcture of human Pi class glutathione S-transferase GSTP1-1 in complex with 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol (NBDHEX)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexan-1-ol, GLUTATHIONE, ...
著者Federici, L, Lo Sterzo, C, Di Matteo, A, Scaloni, F, Federici, G, Caccuri, A.M.
登録日2009-03-30
公開日2009-10-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Structural basis for the binding of the anticancer compound 6-(7-nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol to human glutathione s-transferases
Cancer Res., 69, 2009
4CAU
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THREE-DIMENSIONAL STRUCTURE OF DENGUE VIRUS SEROTYPE 1 COMPLEXED WITH 2 HMAB 14C10 FAB
分子名称: ENVELOPE PROTEIN E, FAB 14C10
著者Teoh, E.P, Kukkaro, P, Teo, E.W, Lim, A.P, Tan, T.T, Yip, A, Schul, W, Aung, M, Kostyuchenko, V.A, Leo, Y.S, Chan, S.H, Smith, K.G, Chan, A.H, Zou, G, Ooi, E.E, Kemeny, D.M, Tan, G.K, Ng, J.K, Ng, M.L, Alonso, S, Fisher, D, Shi, P.Y, Hanson, B.J, Lok, S.M, Macary, P.A.
登録日2013-10-09
公開日2013-10-16
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (7 Å)
主引用文献The Structural Basis for Serotype-Specific Neutralization of Dengue Virus by a Human Antibody.
Sci.Trans.Med, 4, 2012
6LHP
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The cryo-EM structure of coxsackievirus A16 mature virion in complex with Fab 14B10
分子名称: SPHINGOSINE, VP1 protein, VP2 protein, ...
著者He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W.
登録日2019-12-09
公開日2020-02-05
最終更新日2020-02-26
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020
6LJ9
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Crystal Structure of Se-Met ASFV pS273R protease
分子名称: Cysteine protease S273R
著者Li, G.B, Liu, X.X, Chen, C, Guo, Y.
登録日2019-12-13
公開日2020-02-26
最終更新日2020-05-13
実験手法X-RAY DIFFRACTION (2.307 Å)
主引用文献Crystal Structure of African Swine Fever Virus pS273R Protease and Implications for Inhibitor Design.
J.Virol., 94, 2020

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