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7WVM
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The complex structure of PD-1 and cemiplimab
分子名称: Heavy Chain of Cemiplimab, Light Chain of Cemiplimab, Programmed cell death protein 1
著者Lu, D, Xu, Z.P, Liu, K.F, Tan, S.G, Gao, G.F, Chai, Y.
登録日2022-02-10
公開日2022-04-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献PD-1 N58-Glycosylation-Dependent Binding of Monoclonal Antibody Cemiplimab for Immune Checkpoint Therapy.
Front Immunol, 13, 2022
7XJH
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Isoproterenol-activated dog beta3 adrenergic receptor
分子名称: Beta-3 adrenergic receptor, 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Shihoya, W, Nureki, O.
登録日2022-04-18
公開日2022-05-04
最終更新日2022-08-10
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structure of the beta 3-adrenergic receptor reveals the molecular basis of subtype selectivity.
Mol.Cell, 81, 2021
7X7O
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SARS-CoV-2 spike RBD in complex with neutralizing antibody UT28K
分子名称: Spike protein S1, UT28K Fab, heavy chain, ...
著者Ozawa, T, Tani, H, Anraku, Y, Kita, S, Igarashi, E, Saga, Y, Inasaki, N, Kawasuji, H, Yamada, H, Sasaki, S, Somekawa, M, Sasaki, J, Hayakawa, Y, Yamamoto, Y, Morinaga, Y, Kurosawa, N, Isobe, M, Fukuhara, H, Maenaka, K, Hashiguchi, T, Kishi, H, Kitajima, I, Saito, S, Niimi, H.
登録日2022-03-10
公開日2022-05-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.75 Å)
主引用文献Novel super-neutralizing antibody UT28K is capable of protecting against infection from a wide variety of SARS-CoV-2 variants.
Mabs, 14, 2022
7WX2
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CBP-BrD complexed with NEO2734
分子名称: 1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethyloxy)ethyl]benzimidazol-5-yl]pyridin-2-one, CREB-binding protein
著者Zeng, L, Lei, J.D.
登録日2022-02-14
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Targeting CDCP1 gene transcription coactivated by BRD4 and CBP/p300 in castration-resistant prostate cancer.
Oncogene, 41, 2022
7WWZ
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BRD4-BD1 complexed with NEO2734
分子名称: 1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethyloxy)ethyl]benzimidazol-5-yl]pyridin-2-one, Isoform C of Bromodomain-containing protein 4
著者Zeng, L, Lei, J.D.
登録日2022-02-14
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Targeting CDCP1 gene transcription coactivated by BRD4 and CBP/p300 in castration-resistant prostate cancer.
Oncogene, 41, 2022
7X2D
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Cryo-EM structure of the tavapadon-bound D1 dopamine receptor and mini-Gs complex
分子名称: 1,5-dimethyl-6-[2-methyl-4-[3-(trifluoromethyl)pyridin-2-yl]oxy-phenyl]pyrimidine-2,4-dione, CHOLESTEROL, D(1A) dopamine receptor, ...
著者Teng, X, Zheng, S.
登録日2022-02-25
公開日2022-06-15
最終更新日2022-10-12
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Ligand recognition and biased agonism of the D1 dopamine receptor.
Nat Commun, 13, 2022
7X2F
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Cryo-EM structure of the dopamine and LY3154207-bound D1 dopamine receptor and mini-Gs complex
分子名称: 2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone, CHOLESTEROL, D(1A) dopamine receptor, ...
著者Teng, X, Zheng, S.
登録日2022-02-25
公開日2022-06-15
最終更新日2022-06-22
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Ligand recognition and biased agonism of the D1 dopamine receptor.
Nat Commun, 13, 2022
7UJJ
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Stx2a and DARPin complex
分子名称: 1,2-ETHANEDIOL, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, DARPin, ...
著者Jiang, M, Zhang, J.
登録日2022-03-30
公開日2023-04-12
実験手法ELECTRON MICROSCOPY (6.5 Å)
主引用文献A Multi-Specific DARPin Potently Neutralizes Shiga Toxin 2 via Simultaneous Modulation of Both Toxin Subunits.
Bioengineering (Basel), 9, 2022
7UM9
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Human ALDH1A1 with bound compound CM38
分子名称: (4-methylfuro[3,2-c]quinolin-2-yl)(piperidin-1-yl)methanone, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Hurley, T.D.
登録日2022-04-06
公開日2023-04-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A Novel ALDH1A1 Inhibitor Blocks Platinum-Induced Senescence and Stemness in Ovarian Cancer.
Cancers (Basel), 14, 2022
7UYA
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Inhibitor bound VIM1
分子名称: (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION
著者Fischmann, T.O, Scapin, G.
登録日2022-05-06
公開日2023-05-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
7WCL
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Crystal structure of FGFR1 kinase domain with Pemigatinib
分子名称: 11-[2,6-bis(fluoranyl)-3,5-dimethoxy-phenyl]-13-ethyl-4-(morpholin-4-ylmethyl)-5,7,11,13-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),3,7-tetraen-12-one, Fibroblast growth factor receptor 1, SULFATE ION
著者Chen, X.J, Lin, Q.M, Jiang, L.Y, Qu, L.Z, Chen, Y.H.
登録日2021-12-20
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.495 Å)
主引用文献Characterization of the cholangiocarcinoma drug pemigatinib against FGFR gatekeeper mutants.
Commun Chem, 5, 2022
7WJV
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Crystal structure of human liver FBPase complexed with an covalent inhibitor
分子名称: 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ...
著者Cao, H, Huang, Y, Ren, Y, Wan, J.
登録日2022-01-08
公開日2022-07-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.724 Å)
主引用文献N -Acylamino Saccharin as an Emerging Cysteine-Directed Covalent Warhead and Its Application in the Identification of Novel FBPase Inhibitors toward Glucose Reduction.
J.Med.Chem., 65, 2022
7X2C
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Cryo-EM structure of the fenoldopam-bound D1 dopamine receptor and mini-Gs complex
分子名称: (1R)-6-chloranyl-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, CHOLESTEROL, D(1A) dopamine receptor, ...
著者Teng, X, Zheng, S.
登録日2022-02-25
公開日2022-06-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Ligand recognition and biased agonism of the D1 dopamine receptor.
Nat Commun, 13, 2022
7XGO
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Human renin in complex with compound2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, UNKNOWN LIGAND
著者Kashima, A.
登録日2022-04-05
公開日2022-08-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of Novel 2-Carbamoyl Morpholine Derivatives as Highly Potent and Orally Active Direct Renin Inhibitors.
Acs Med.Chem.Lett., 13, 2022
7XGK
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Human renin in complex with compound1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, UNKNOWN LIGAND
著者Kashima, A.
登録日2022-04-05
公開日2022-08-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of Novel 2-Carbamoyl Morpholine Derivatives as Highly Potent and Orally Active Direct Renin Inhibitors.
Acs Med.Chem.Lett., 13, 2022
7XGP
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BU of 7xgp by Molmil
Human renin in complex with compound3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, UNKNOWN LIGAND
著者Kashima, A.
登録日2022-04-05
公開日2022-09-07
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery of SPH3127: A Novel, Highly Potent, and Orally Active Direct Renin Inhibitor.
J.Med.Chem., 65, 2022
7XBB
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Crystal structure of PDE4D catalytic domain complexed with compound 23a
分子名称: (2~{R},4~{S})-6-ethyl-2-[(2~{E})-2-hydroxyiminoethyl]-2,8-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ...
著者Huang, Y.-Y, Luo, H.-B.
登録日2022-03-21
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.100009 Å)
主引用文献Structure-based optimization of Toddacoumalone as highly potent and selective PDE4 inhibitors with anti-inflammatory effects.
Biochem Pharmacol, 202, 2022
7XB5
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Structure of the ligand-binding domain of S. cerevisiae Upc2 in fusion with T4 lysozyme
分子名称: fusion protein of Sterol uptake control protein 2 and Endolysin
著者Tan, L, Im, Y.J.
登録日2022-03-20
公開日2022-09-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.44 Å)
主引用文献Structural basis for activation of fungal sterol receptor Upc2 and azole resistance.
Nat.Chem.Biol., 18, 2022
7X5H
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Serotonin 5A (5-HT5A) receptor-Gi protein complex
分子名称: 3-(2-azanylethyl)-1H-indole-5-carboxamide, 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Tan, Y, Xu, P, Huang, S, Xu, H.E, Jiang, Y.
登録日2022-03-04
公開日2022-09-14
最終更新日2022-09-21
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural insights into the ligand binding and G i coupling of serotonin receptor 5-HT 5A .
Cell Discov, 8, 2022
7UKW
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EGFR(T790M/V948R) in complex with Lazertinib (YH25448)
分子名称: Epidermal growth factor receptor, N-[5-{[(4P)-4-{4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl}pyrimidin-2-yl]amino}-4-methoxy-2-(morpholin-4-yl)phenyl]propanamide
著者Pham, C.D, Heppner, D.E.
登録日2022-04-02
公開日2022-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Basis for Inhibition of Mutant EGFR with Lazertinib (YH25448).
Acs Med.Chem.Lett., 13, 2022
7UUY
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Structure of the sodium/iodide symporter (NIS)
分子名称: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, Sodium/iodide cotransporter
著者Ravera, S, Nicola, J.P, Salazar-De Simone, G, Sigworth, F, Karakas, E, Amzel, L.M, Bianchet, M, Carrasco, N.
登録日2022-04-29
公開日2022-12-21
最終更新日2023-01-04
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural insights into the mechanism of the sodium/iodide symporter.
Nature, 612, 2022
7UUZ
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Structure of the sodium/iodide symporter (NIS) in complex with perrhenate and sodium
分子名称: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, PERRHENATE, SODIUM ION, ...
著者Ravera, S, Nicola, J.P, Salazar-De Simone, G, Sigworth, F, Karakas, E, Amzel, L.M, Bianchet, M, Carrasco, N.
登録日2022-04-29
公開日2022-12-21
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural insights into the mechanism of the sodium/iodide symporter.
Nature, 612, 2022
7UV0
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Structure of the sodium/iodide symporter (NIS) in complex with iodide and sodium
分子名称: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, IODIDE ION, SODIUM ION, ...
著者Ravera, S, Nicola, J.P, Salazar-De Simone, G, Sigworth, F, Karakas, E, Amzel, L.M, Bianchet, M, Carrasco, N.
登録日2022-04-29
公開日2022-12-21
最終更新日2023-01-04
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural insights into the mechanism of the sodium/iodide symporter.
Nature, 612, 2022
7UVR
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Crystal structure of human ClpP protease in complex with TR-65
分子名称: 3-{[(10R)-4-[(4-chlorophenyl)methyl]-5-oxo-1,2,4,5,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-7(6H)-yl]methyl}benzonitrile, ATP-dependent Clp protease proteolytic subunit, mitochondrial
著者Mabanglo, M.F, Houry, W.A.
登録日2022-05-02
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Potent ClpP agonists with anticancer properties bind with improved structural complementarity and alter the mitochondrial N-terminome.
Structure, 31, 2023
7UE8
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PANK3 complex structure with compound PZ-3890
分子名称: 1,2-ETHANEDIOL, 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethan-1-one, ACETATE ION, ...
著者White, S.W, Yun, M, Lee, R.E.
登録日2022-03-21
公開日2023-03-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Relief of CoA sequestration and restoration of mitochondrial function in a mouse model of propionic acidemia.
J Inherit Metab Dis, 46, 2023

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