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Legacy flatfile-incompatible PDB entries
8XFV
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Crystal structure of human Golgi resident glutaminyl cyclase in complex with (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-(piperidin-4-yloxy)indolin-2-one
Descriptor: 3-(1~{H}-benzimidazol-5-ylmethylidene)-4-piperidin-4-yloxy-1~{H}-indol-2-one, Glutaminyl-peptide cyclotransferase-like protein, ZINC ION
Authors:Li, G.-B, Wang, X.-Y.
Deposit date:2023-12-14
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model.
J.Med.Chem., 67, 2024
8XFY
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The Crystal Structure of RSK2 from Biortus.
Descriptor: 2,6-bis(fluoranyl)-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol, Ribosomal protein S6 kinase alpha-3
Authors:Wang, F, Cheng, W, Lv, Z, Lin, D, Pan, W.
Deposit date:2023-12-14
Release date:2024-03-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The Crystal Structure of RSK2 from Biortus.
To Be Published
8XGA
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Crystal structure of human Golgi resident glutaminyl cyclase in complex with (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-((tetrahydro-2H-pyran-4-yl)oxy)indolin-2-one
Descriptor: (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-(oxan-4-yloxy)-1~{H}-indol-2-one, Glutaminyl-peptide cyclotransferase-like protein, ZINC ION
Authors:Li, G.-B, Wang, X.-Y.
Deposit date:2023-12-15
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (3.537 Å)
Cite:X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model.
J.Med.Chem., 67, 2024
8XGB
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Crystal structure of human secretory glutaminyl cyclase in complex with (S)-1-(1H-benzo[d]imidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one
Descriptor: (5~{S})-1-(3~{H}-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one, Glutaminyl-peptide cyclotransferase, ZINC ION
Authors:Li, G.-B, Wang, X.-Y.
Deposit date:2023-12-15
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model.
J.Med.Chem., 67, 2024
8XGC
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Structure of yeast replisome associated with FACT and histone hexamer, Composite map
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Cell division control protein 45, Chromosome segregation in meiosis protein 3, ...
Authors:Li, N, Gao, Y, Yu, D, Gao, N, Zhai, Y.
Deposit date:2023-12-15
Release date:2024-02-14
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Parental histone transfer caught at the replication fork.
Nature, 627, 2024
8XGK
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Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction Ihhibitors
Descriptor: (2~{R},3~{S})-3-[[(2~{S})-2-(4-chlorophenyl)-2-fluoranyl-ethanoyl]amino]-3-[3-(2-cyano-2-methyl-propoxy)-4-methyl-phenyl]-2-methyl-propanoic acid, ACETATE ION, Kelch-like ECH-associated protein 1, ...
Authors:Otake, K, Hara, Y, Ubukata, M, Inoue, M, Nagahashi, N, Motoda, D, Ogawa, N, Hantani, Y, Hantani, R, Adachi, T, Nomura, A, Yamaguchi, K, Maekawa, M, Mamada, H, Motomura, T, Sato, M, Harada, K.
Deposit date:2023-12-15
Release date:2024-05-22
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction Inhibitors.
J.Med.Chem., 67, 2024
8XGT
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Crystal structure of human secretory glutaminyl cyclase in complex with (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-hydroxyindolin-2-one
Descriptor: (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-oxidanyl-1~{H}-indol-2-one, Glutaminyl-peptide cyclotransferase, ZINC ION
Authors:Li, G.-B, Wang, X.-Y.
Deposit date:2023-12-15
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.813 Å)
Cite:X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model.
J.Med.Chem., 67, 2024
8XGV
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Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction (PPI) Inhibitors
Descriptor: (2~{R},3~{S})-3-[[(2~{S})-2-[4-[(3-ethoxypyridin-2-yl)methyl]phenyl]-2-fluoranyl-ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid, ACETATE ION, Kelch-like ECH-associated protein 1, ...
Authors:Otake, K, Hara, Y, Ubukata, M, Inoue, M, Nagahashi, N, Motoda, D, Ogawa, N, Hantani, Y, Hantani, R, Adachi, T, Nomura, A, Yamaguchi, K, Maekawa, M, Mamada, H, Motomura, T, Sato, M, Harada, K.
Deposit date:2023-12-15
Release date:2024-05-22
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction Inhibitors.
J.Med.Chem., 67, 2024
8XGY
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BU of 8xgy by Molmil
Crystal structure of human Golgi resident glutaminyl cyclase in complex with (R,Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-((1-acetylpyrrolidin-3-yl)oxy)indolin-2-one
Descriptor: (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-[(3~{R})-1-ethanoylpyrrolidin-3-yl]oxy-1~{H}-indol-2-one, Glutaminyl-peptide cyclotransferase, ZINC ION
Authors:Li, G.-B, Wang, X.-Y.
Deposit date:2023-12-16
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model.
J.Med.Chem., 67, 2024
8XIO
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Structure of L797591-SSTR1 G protein complex
Descriptor: (2~{S})-~{N}-[(4~{S})-6-azanyl-2,2,4-trimethyl-hexyl]-3-naphthalen-1-yl-2-[[2-phenylethyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanamide, G-alpha-i, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Wang, Y, Xu, Y, Xu, H.E, Zhuang, Y.
Deposit date:2023-12-19
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (2.65 Å)
Cite:Selective ligand recognition and activation of somatostatin receptors SSTR1 and SSTR3
To Be Published
8XIP
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Structure of Pasireotide-SSTR1 G protein complex
Descriptor: 004-DTR-LYS-TY5-PHE-A1D5E, G-alpha i, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Wang, Y, Xu, Y, Xu, H.E, Zhuang, Y.
Deposit date:2023-12-19
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Selective ligand recognition and activation of somatostatin receptors SSTR1 and SSTR3
To Be Published
8XIQ
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Structure of L796778-SSTR3 G protein complex
Descriptor: G-alpha i, 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, ...
Authors:Wang, Y, Xu, Y, Xu, H.E, Zhuang, Y.
Deposit date:2023-12-19
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Selective ligand recognition and activation of somatostatin receptors SSTR1 and SSTR3
To Be Published
8XIR
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BU of 8xir by Molmil
Structure of pasireotide-SSTR3 G protein complex
Descriptor: G-alpha i, 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, ...
Authors:Wang, Y, Xu, Y, Xu, H.E, Zhuang, Y.
Deposit date:2023-12-19
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (2.52 Å)
Cite:Selective ligand recognition and activation of somatostatin receptors SSTR1 and SSTR3
To Be Published
8XJK
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Cloprosetnol bound Prostaglandin F2-alpha receptor-Gq Protein Complex
Descriptor: (~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E},3~{R})-4-(3-chloranylphenoxy)-3-oxidanyl-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid, Antibody fragment scFv16, Engineered miniGq, ...
Authors:Zhang, X, Li, X, Liu, G, Gong, W.
Deposit date:2023-12-21
Release date:2024-02-28
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.63 Å)
Cite:Structural basis for ligand recognition and activation of the prostanoid receptors.
Cell Rep, 43, 2024
8XJN
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Cloprosetnol bound Thromboxane A2 receptor-Gq Protein Complex
Descriptor: (~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E},3~{R})-4-(3-chloranylphenoxy)-3-oxidanyl-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid, Antibody fragment scFv16, Engineered miniGq, ...
Authors:Zhang, X, Li, X, Liu, G, Gong, W.
Deposit date:2023-12-21
Release date:2024-02-28
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Structural basis for ligand recognition and activation of the prostanoid receptors.
Cell Rep, 43, 2024
8XKN
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Cryo-EM structure of tail tube protein
Descriptor: a protein
Authors:Zhang, H, Li, Z, Li, X.Z.
Deposit date:2023-12-23
Release date:2024-05-01
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Insights into the modulation of bacterial NADase activity by phage proteins.
Nat Commun, 15, 2024
8XLO
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BU of 8xlo by Molmil
FGFR1 kinase domain with a dual-warhead covalent inhibitor CXF-007
Descriptor: CXF007, Fibroblast growth factor receptor 1, SULFATE ION
Authors:Chen, X.J, Chen, Y.H.
Deposit date:2023-12-26
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Design, synthesis, and biological evaluation of selective covalent inhibitors of FGFR4.
Eur.J.Med.Chem., 268, 2024
8XLQ
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FGFR4 kinase domain with a dual-warhead covalent inhibitor CXF-007
Descriptor: CXF007, Fibroblast growth factor receptor 4, SULFATE ION
Authors:Chen, X.J, Chen, Y.H.
Deposit date:2023-12-26
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Design, synthesis, and biological evaluation of selective covalent inhibitors of FGFR4.
Eur.J.Med.Chem., 268, 2024
8XLV
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BU of 8xlv by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2.86 spike protein(6P), 1-RBD-up state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Li, L.J, Gu, Y.H, Shi, K.Y, Qi, J.X, Gao, G.F.
Deposit date:2023-12-26
Release date:2024-07-03
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Spike structures, receptor binding, and immune escape of recently circulating SARS-CoV-2 Omicron BA.2.86, JN.1, EG.5, EG.5.1, and HV.1 sub-variants.
Structure, 2024
8XMB
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BU of 8xmb by Molmil
NTP-bound Pol IV transcription elongation complex
Descriptor: DNA-directed RNA polymerase IV subunit 1, DNA-directed RNA polymerase IV subunit 7, DNA-directed RNA polymerases II and IV subunit 5A, ...
Authors:Huang, K, Fang, C.L, Zhang, Y.
Deposit date:2023-12-27
Release date:2024-07-24
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Transcription of the Plant RNA polymerase IV is prone to backtracking
To Be Published
8XMC
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Post-translocated Pol IV transcription elongation complex
Descriptor: DNA-directed RNA polymerase IV subunit 1, DNA-directed RNA polymerase IV subunit 7, DNA-directed RNA polymerases II and IV subunit 5A, ...
Authors:Huang, K, Fang, C.L, Zhang, Y.
Deposit date:2023-12-27
Release date:2024-07-24
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Transcription of the Plant RNA polymerase IV is prone to backtracking
To Be Published
8XME
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BU of 8xme by Molmil
Backtracked Pol IV transcription elongation complex
Descriptor: DNA-directed RNA polymerase IV subunit 1, DNA-directed RNA polymerase IV subunit 7, DNA-directed RNA polymerases II and IV subunit 5A, ...
Authors:Huang, K, Fang, C.L, Zhang, Y.
Deposit date:2023-12-27
Release date:2024-07-24
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Transcription of the Plant RNA polymerase IV is prone to backtracking
To Be Published
8XN7
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Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with compound 9f
Descriptor: 5-amino-2-((6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino)-8-(2-(trifluoromethyl)benzyl)pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase kinase kinase kinase 1
Authors:Huang, W.X, Liu, R, Ding, K.
Deposit date:2023-12-29
Release date:2024-04-10
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery of 5-aminopyrido[2,3-d]pyrimidin-7(8H)-one derivatives as new hematopoietic progenitor kinase 1 (HPK1) inhibitors.
Eur.J.Med.Chem., 269, 2024
8XOF
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BU of 8xof by Molmil
Cryo-EM structure of Lys05 bound GPR30-Gq complex structure
Descriptor: G protein subunit q, G-protein coupled estrogen receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Liu, H, Xu, P, Xu, H.E.
Deposit date:2024-01-01
Release date:2024-04-10
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural and functional evidence that GPR30 is not a direct estrogen receptor.
Cell Res., 34, 2024
8XOT
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BU of 8xot by Molmil
Prohead portal of bacteriophage lambda
Descriptor: Portal protein B
Authors:Wang, J.W, Gu, Z.W.
Deposit date:2024-01-02
Release date:2024-04-10
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.51 Å)
Cite:Structural morphing in the viral portal vertex of bacteriophage lambda.
J.Virol., 98, 2024

223532

건을2024-08-07부터공개중

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