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6U6W
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BU of 6u6w by Molmil
Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
Descriptor: 5-bromo-N-(5-chloro-2-hydroxyphenyl)-2-methoxybenzene-1-sulfonamide, WD repeat-containing protein 5
Authors:Zhao, B, Wang, F.
Deposit date:2019-08-30
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.2 Å)
Cite: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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BU of 6u8b by Molmil
Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
Descriptor: 3-{[(5-bromo-2-methoxyphenyl)sulfonyl]amino}-5-chloro-2-hydroxybenzoic acid, WD repeat-containing protein 5
Authors:Zhao, B, Wang, F.
Deposit date:2019-09-04
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.261 Å)
Cite: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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BU of 6hec by Molmil
PAN-proteasome in state 4
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Majumder, P, Rudack, T, Beck, F, Baumeister, W.
Deposit date:2018-08-20
Release date:2018-12-26
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (6.95 Å)
Cite: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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BU of 3e4h by Molmil
Crystal structure of the cyclotide varv F
Descriptor: Varv peptide F,Varv peptide F
Authors:Hu, S.H.
Deposit date:2008-08-11
Release date:2009-02-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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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BU of 6ukj by Molmil
Single-Particle Cryo-EM Structure of Plasmodium falciparum Chloroquine Resistance Transporter (PfCRT) 7G8 Isoform
Descriptor: CHOLESTEROL HEMISUCCINATE, Chloroquine resistance transporter, Fab Heavy Chain, ...
Authors: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.
Deposit date:2019-10-05
Release date:2019-12-04
Last modified:2020-01-08
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure and drug resistance of the Plasmodium falciparum transporter PfCRT.
Nature, 576, 2019
6HE7
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BU of 6he7 by Molmil
20S proteasome from Archaeoglobus fulgidus
Descriptor: Proteasome subunit alpha, Proteasome subunit beta
Authors:Majumder, P, Rudack, T, Beck, F, Baumeister, W.
Deposit date:2018-08-20
Release date:2018-12-26
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.69 Å)
Cite: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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BU of 6u8o by Molmil
Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
Descriptor: 5-bromo-N-[5-(1-cyanocyclobutyl)-2-hydroxyphenyl]-2-hydroxybenzene-1-sulfonamide, WD repeat-containing protein 5
Authors:Zhao, B, Wang, F.
Deposit date:2019-09-05
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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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BU of 6u8l by Molmil
Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
Descriptor: 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
Authors:Zhao, B, Wang, F.
Deposit date:2019-09-05
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.57 Å)
Cite: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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BU of 4bed by Molmil
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
Descriptor: CU2-O2 CLUSTER, HEMOCYANIN KLH1
Authors:Gatsogiannis, C, Markl, J.
Deposit date:2013-03-08
Release date:2013-12-25
Last modified:2018-10-03
Method:ELECTRON MICROSCOPY (9 Å)
Cite: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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BU of 6ko6 by Molmil
Crystal structure of AMPPNP bound Cka1 from C. neoformans
Descriptor: CMGC/CK2 protein kinase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Cho, H.S, Yoo, Y.
Deposit date:2019-08-08
Release date:2019-11-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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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BU of 6umt by Molmil
High-affinity human PD-1 PD-L2 complex
Descriptor: MAGNESIUM ION, Programmed cell death 1 ligand 2, Programmed cell death protein 1
Authors:Tang, S, Kim, P.S.
Deposit date:2019-10-10
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.986 Å)
Cite: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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BU of 6umu by Molmil
Human apo PD-1 triple mutant
Descriptor: CHLORIDE ION, Programmed cell death protein 1
Authors:Tang, S, Kim, P.S.
Deposit date:2019-10-10
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.183 Å)
Cite: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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BU of 3et9 by Molmil
Crystal structure of the engineered neutralizing antibody 1H
Descriptor: Antibody 1H light chain and antibody 1H heavy chain linked with a synthetic (GGGGS)4 linker
Authors:Leysath, C.E, Monzingo, A.F, Barnett, J, Iverson, B.L, Georgiou, G, Robertus, J.D.
Deposit date:2008-10-07
Release date:2009-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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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BU of 3esv by Molmil
Crystal structure of the engineered neutralizing antibody M18
Descriptor: Antibody M18 light chain and antibody M18 heavy chain linked with a synthetic (GGGGS)4 linker
Authors:Monzingo, A.F, Leysath, C.E, Barnett, J, Iverson, B.L, Georgiou, G, Robertus, J.D.
Deposit date:2008-10-06
Release date:2009-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite: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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BU of 4bfd by Molmil
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH CHEMICAL LIGAND
Descriptor: 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, ...
Authors:Banner, D.W, Benz, J, Stihle, M.
Deposit date:2013-03-18
Release date:2013-06-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Bace1 Inhibitors: A Head Group Scan on a Series of Amides.
Bioorg.Med.Chem.Lett., 23, 2013
4BEK
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BU of 4bek by Molmil
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH CHEMICAL LIGAND
Descriptor: (4S)-4-(4-methoxyphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine, BETA-SECRETASE 1, DIMETHYL SULFOXIDE, ...
Authors:Banner, D.W, Benz, J, Stihle, M.
Deposit date:2013-03-11
Release date:2013-06-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Bace1 Inhibitors: A Head Group Scan on a Series of Amides.
Bioorg.Med.Chem.Lett., 23, 2013
3HB5
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BU of 3hb5 by Molmil
Binary and ternary crystal structures of a novel inhibitor of 17 beta-HSD type 1: a lead compound for breast cancer therapy
Descriptor: 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
Authors:Mazumdar, M, Lin, S.-X.
Deposit date:2009-05-04
Release date:2009-12-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite: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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BU of 6j1u by Molmil
influenza virus nucleoprotein with a specific inhibitor
Descriptor: Nucleoprotein, ~{N}-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Authors:Pang, B, Zhang, W.Z, Zhang, H.M, Hao, Q.
Deposit date:2018-12-29
Release date:2020-01-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: VP1, VP2, VP3
Authors:He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W.
Deposit date:2019-12-07
Release date:2020-02-05
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020
6LHL
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BU of 6lhl by Molmil
The cryo-EM structure of coxsackievirus A16 A-particle in complex with Fab 18A7
Descriptor: VP1 protein, VP2 protein, VP3 protein
Authors:He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W.
Deposit date:2019-12-09
Release date:2020-02-05
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020
6LHB
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BU of 6lhb by Molmil
The cryo-EM structure of coxsackievirus A16 A-particle
Descriptor: VP1, VP2, VP3
Authors:He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W.
Deposit date:2019-12-07
Release date:2020-02-05
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.33 Å)
Cite:Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020
3GUS
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BU of 3gus by Molmil
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)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexan-1-ol, GLUTATHIONE, ...
Authors:Federici, L, Lo Sterzo, C, Di Matteo, A, Scaloni, F, Federici, G, Caccuri, A.M.
Deposit date:2009-03-30
Release date:2009-10-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.53 Å)
Cite: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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BU of 4cau by Molmil
THREE-DIMENSIONAL STRUCTURE OF DENGUE VIRUS SEROTYPE 1 COMPLEXED WITH 2 HMAB 14C10 FAB
Descriptor: ENVELOPE PROTEIN E, FAB 14C10
Authors: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.
Deposit date:2013-10-09
Release date:2013-10-16
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (7 Å)
Cite:The Structural Basis for Serotype-Specific Neutralization of Dengue Virus by a Human Antibody.
Sci.Trans.Med, 4, 2012
6LHP
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BU of 6lhp by Molmil
The cryo-EM structure of coxsackievirus A16 mature virion in complex with Fab 14B10
Descriptor: SPHINGOSINE, VP1 protein, VP2 protein, ...
Authors:He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W.
Deposit date:2019-12-09
Release date:2020-02-05
Last modified:2020-02-26
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020
6LJ9
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BU of 6lj9 by Molmil
Crystal Structure of Se-Met ASFV pS273R protease
Descriptor: Cysteine protease S273R
Authors:Li, G.B, Liu, X.X, Chen, C, Guo, Y.
Deposit date:2019-12-13
Release date:2020-02-26
Last modified:2020-05-13
Method:X-RAY DIFFRACTION (2.307 Å)
Cite:Crystal Structure of African Swine Fever Virus pS273R Protease and Implications for Inhibitor Design.
J.Virol., 94, 2020

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数据于2024-07-17公开中

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