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7WPS
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BU of 7wps by Molmil
Cryo-EM structure of VWF D'D3 dimer complexed with D1D2 at 4.3 angstron resolution (7 units)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, von Willebrand antigen 2, ...
著者Zeng, J.W, Shu, Z.M, Zhou, A.W.
登録日2022-01-24
公開日2022-05-25
最終更新日2022-06-15
実験手法ELECTRON MICROSCOPY (4.32 Å)
主引用文献Structural basis of von Willebrand factor multimerization and tubular storage.
Blood, 139, 2022
7WPR
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BU of 7wpr by Molmil
VWF D'D3 dimer complexed with D1D2 at 4.39 angstron resolution(VWF tube)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, von Willebrand antigen 2, ...
著者Zeng, J.W, Shu, Z.M, Zhou, A.W.
登録日2022-01-24
公開日2022-05-25
最終更新日2022-06-15
実験手法ELECTRON MICROSCOPY (4.39 Å)
主引用文献Structural basis of von Willebrand factor multimerization and tubular storage.
Blood, 139, 2022
2K1H
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BU of 2k1h by Molmil
Solution NMR structure of SeR13 from Staphylococcus epidermidis. Northeast Structural Genomics Consortium target SeR13
分子名称: Uncharacterized protein SeR13
著者Lee, H, Wylie, G, Bansal, S, Wang, X, Shastry, R, Jiang, M, Cunningham, K, Ma, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Prestegard, J.H, Northeast Structural Genomics Consortium (NESG)
登録日2008-03-05
公開日2008-03-18
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Solution Structure of SeR13.
To be Published
8HNK
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BU of 8hnk by Molmil
CXCR3-DNGi complex activated by CXCL11
分子名称: C-X-C motif chemokine 11, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Jiao, H.Z, Hu, H.L.
登録日2022-12-08
公開日2023-11-29
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.01 Å)
主引用文献Structural insights into the activation and inhibition of CXC chemokine receptor 3.
Nat.Struct.Mol.Biol., 31, 2024
8HNN
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BU of 8hnn by Molmil
Structure of CXCR3 complexed with antagonist SCH546738
分子名称: 3-azanyl-6-chloranyl-5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethyl-piperazin-1-yl]pyrazine-2-carboxamide, CHOLESTEROL, Nb6, ...
著者Jiao, H.Z, Hu, H.L.
登録日2022-12-08
公開日2023-11-29
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural insights into the activation and inhibition of CXC chemokine receptor 3.
Nat.Struct.Mol.Biol., 31, 2024
8HNL
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CXCR3-DNGi complex activated by PS372424
分子名称: (3S)-N-[(2S)-5-carbamimidamido-1-(cyclohexylmethylamino)-1-oxidanylidene-pentan-2-yl]-2-(4-oxidanylidene-4-phenyl-butanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Jiao, H.Z, Hu, H.L.
登録日2022-12-08
公開日2023-11-29
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Structural insights into the activation and inhibition of CXC chemokine receptor 3.
Nat.Struct.Mol.Biol., 31, 2024
8HNM
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BU of 8hnm by Molmil
CXCR3-DNGi complex activated by VUF11222
分子名称: CHOLESTEROL, 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Jiao, H.Z, Hu, H.L.
登録日2022-12-08
公開日2023-11-29
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.94 Å)
主引用文献Structural insights into the activation and inhibition of CXC chemokine receptor 3.
Nat.Struct.Mol.Biol., 31, 2024
8H93
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BU of 8h93 by Molmil
Structure of dimeric mouse SCMC core complex
分子名称: NACHT, LRR and PYD domains-containing protein 5, Oocyte-expressed protein homolog, ...
著者Chi, P, Ou, G, Han, Z, Li, J, Deng, D.
登録日2022-10-24
公開日2024-01-10
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (3.01 Å)
主引用文献Structural basis of the subcortical maternal complex and its implications in reproductive disorders.
Nat.Struct.Mol.Biol., 31, 2024
8H94
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Structure of mouse SCMC bound with KH domain of FILIA
分子名称: NACHT, LRR and PYD domains-containing protein 5, Oocyte-expressed protein homolog, ...
著者Chi, P, Ou, G, Han, Z, Li, J, Deng, D.
登録日2022-10-24
公開日2024-01-10
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis of the subcortical maternal complex and its implications in reproductive disorders.
Nat.Struct.Mol.Biol., 31, 2024
8H96
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BU of 8h96 by Molmil
Structure of mouse SCMC core complex
分子名称: NACHT, LRR and PYD domains-containing protein 5, Oocyte-expressed protein homolog, ...
著者Chi, P, Ou, G, Li, J, Han, Z, Deng, D.
登録日2022-10-24
公開日2024-01-10
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (2.78 Å)
主引用文献Structural basis of the subcortical maternal complex and its implications in reproductive disorders.
Nat.Struct.Mol.Biol., 31, 2024
8H95
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BU of 8h95 by Molmil
Structure of mouse SCMC bound with full-length FILIA
分子名称: NACHT, LRR and PYD domains-containing protein 5, Oocyte-expressed protein homolog, ...
著者Chi, P, Ou, G, Han, Z, Li, L, Deng, D.
登録日2022-10-24
公開日2024-01-10
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (3.38 Å)
主引用文献Structural basis of the subcortical maternal complex and its implications in reproductive disorders.
Nat.Struct.Mol.Biol., 31, 2024
8HBB
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BU of 8hbb by Molmil
Crystal structure of Caenorhabditis elegans NMAD-1 in complex with ligand III
分子名称: CHLORIDE ION, DNA N6-methyl adenine demethylase, MANGANESE (II) ION
著者Shang, G, Chen, Z.
登録日2022-10-27
公開日2024-02-07
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Structural Basis of Nucleic Acid Recognition and 6mA Demethylation by Caenorhabditis elegans NMAD-1A.
Int J Mol Sci, 25, 2024
8HB2
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BU of 8hb2 by Molmil
Crystal structure of Caenorhabditis elegans NMAD-1 in complex with ligand II
分子名称: 2-OXOGLUTARIC ACID, DNA N6-methyl adenine demethylase, MANGANESE (II) ION
著者Shang, G, Chen, Z.
登録日2022-10-27
公開日2024-02-07
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Structural Basis of Nucleic Acid Recognition and 6mA Demethylation by Caenorhabditis elegans NMAD-1A.
Int J Mol Sci, 25, 2024
8HAZ
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BU of 8haz by Molmil
Crystal structure of Caenorhabditis elegans NMAD-1 in complex with ligand I
分子名称: DNA N6-methyl adenine demethylase, SULFATE ION
著者Shang, G, Chen, Z.
登録日2022-10-27
公開日2024-02-07
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Structural Basis of Nucleic Acid Recognition and 6mA Demethylation by Caenorhabditis elegans NMAD-1A.
Int J Mol Sci, 25, 2024
7UOH
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BU of 7uoh by Molmil
PRMT5/MEP50 crystal structure with MTA and an achiral, class 1, non-atropisomeric inhibitor bound
分子名称: (2M)-2-[(4M)-4-{4-(aminomethyl)-1-oxo-8-[(2R)-oxolan-2-yl]-1,2-dihydrophthalazin-6-yl}-1-methyl-1H-pyrazol-5-yl]-1-benzothiophene-3-carbonitrile, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, ...
著者Gunn, R.J, Thomas, N.C, Lawson, J.D, Ivetac, A, Kulyk, S, Smith, C.R, Marx, M.A.
登録日2022-04-12
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Design and evaluation of achiral, non-atropisomeric 4-(aminomethyl)phthalazin-1(2H)-one derivatives as novel PRMT5/MTA inhibitors.
Bioorg.Med.Chem., 71, 2022
7UYF
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BU of 7uyf by Molmil
Human PRMT5:MEP50 structure with Fragment 4 and MTA Bound
分子名称: 4-methyl-1,5-naphthyridin-2-amine, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ...
著者Gunn, R.J, Lawson, J.D, Smith, C.R.
登録日2022-05-06
公開日2022-10-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Fragment optimization and elaboration strategies - the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits.
Rsc Med Chem, 13, 2022
7UY1
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BU of 7uy1 by Molmil
HUMAN PRMT5:MEP50 COMPLEX WITH MTA and Fragment 5 Bound
分子名称: 1,2-ETHANEDIOL, 3-methyl-1,5-naphthyridin-2-amine, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ...
著者Gunn, R.J.
登録日2022-05-06
公開日2022-10-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Fragment optimization and elaboration strategies - the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits.
Rsc Med Chem, 13, 2022
7X8J
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BU of 7x8j by Molmil
Arabidopsis GDP-D-mannose pyrophosphorylase (VTC1) structure (unliganded)
分子名称: Mannose-1-phosphate guanylyltransferase 1, SULFATE ION
著者Zhao, S, Zhang, C, Liu, L.
登録日2022-03-13
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.798 Å)
主引用文献Crystal Structures of Arabidopsis thaliana GDP-D-Mannose Pyrophosphorylase VITAMIN C DEFECTIVE 1.
Front Plant Sci, 13, 2022
7X8K
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Arabidopsis GDP-D-mannose pyrophosphorylase (VTC1) structure (product-bound)
分子名称: CITRATE ANION, GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, Mannose-1-phosphate guanylyltransferase 1, ...
著者Zhao, S, Zhang, C, Liu, L.
登録日2022-03-13
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structures of Arabidopsis thaliana GDP-D-Mannose Pyrophosphorylase VITAMIN C DEFECTIVE 1.
Front Plant Sci, 13, 2022
7UVF
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BU of 7uvf by Molmil
Crystal structure of ZED8 Fab complex with CD8 alpha
分子名称: CHLORIDE ION, GLYCEROL, Immunoglobulin heavy chain, ...
著者Yu, C, Davies, C, Koerber, J.T, Williams, S.
登録日2022-05-01
公開日2022-10-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Preclinical development of ZED8, an 89 Zr immuno-PET reagent for monitoring tumor CD8 status in patients undergoing cancer immunotherapy.
Eur J Nucl Med Mol Imaging, 50, 2023
7UKR
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BU of 7ukr by Molmil
Crystal Structure of SOS1 with MRTX0902, a Potent and Selective Inhibitor of the SOS1:KRAS Protein-Protein Interaction
分子名称: 2-methyl-3-[(1R)-1-{[4-methyl-7-(morpholin-4-yl)pyrido[3,4-d]pyridazin-1-yl]amino}ethyl]benzonitrile, Son of sevenless homolog 1
著者Gunn, R.J, Lawson, J.D, Ketcham, J.M, Marx, M.A.
登録日2022-04-01
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Design and Discovery of MRTX0902, a Potent, Selective, Brain-Penetrant, and Orally Bioavailable Inhibitor of the SOS1:KRAS Protein-Protein Interaction.
J.Med.Chem., 65, 2022
7UKS
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BU of 7uks by Molmil
Crystal structure of SOS1 with phthalazine inhibitor bound (compound 15)
分子名称: 4-methyl-N-{(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl}-7-(piperazin-1-yl)phthalazin-1-amine, Son of sevenless homolog 1
著者Gunn, R.J, Lawson, J.D, Ketcham, J.M, Marx, M.A.
登録日2022-04-01
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Design and Discovery of MRTX0902, a Potent, Selective, Brain-Penetrant, and Orally Bioavailable Inhibitor of the SOS1:KRAS Protein-Protein Interaction.
J.Med.Chem., 65, 2022
7V14
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Factor XIa in Complex with Compound 2h
分子名称: 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-1,3-thiazole, CITRIC ACID, Coagulation factor XIa light chain
著者Shaffer, P.L, Cedervall, P, Milligan, C.M.
登録日2022-05-11
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.697 Å)
主引用文献Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
7V18
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Factor XIa in Complex with Compound 3f
分子名称: 2-[(1~{R})-3-[bis(fluoranyl)methoxy]-1-[4-(3-methyl-1,2,3-triazol-4-yl)pyrazol-1-yl]propyl]-5-[3-chloranyl-6-(4-chloranyl-1,2,3-triazol-1-yl)-2-fluoranyl-phenyl]-1-oxidanyl-pyridine, CITRIC ACID, Coagulation factor XIa light chain
著者Shaffer, P.L, Milligan, C.M.
登録日2022-05-11
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.732 Å)
主引用文献Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
7V17
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Factor XIa in Complex with Compound 2k
分子名称: 5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-2-[(1~{R})-2-cyclopropyl-1-[4-(3-methylimidazol-4-yl)pyrazol-1-yl]ethyl]-1-oxidanyl-pyridine, CITRIC ACID, Coagulation factor XIa light chain
著者Shaffer, P.L, Milligan, C.M, Cedervall, P.
登録日2022-05-11
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.522 Å)
主引用文献Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022

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