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7YA5
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Crystal structure analysis of cp1 bound BCL2/G101V
分子名称: (2R)-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid, Apoptosis regulator Bcl-2, cp1 peptide
著者Li, F.W, Liu, C, Wu, C.L, Wu, D.L.
登録日2022-06-27
公開日2023-11-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
7YAA
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Crystal structure analysis of cp3 bound BCLxl
分子名称: Bcl-2-like protein 1, GLYCEROL, N-(2-acetamidoethyl)-4-(4-methanoyl-1,3-thiazol-2-yl)benzamide, ...
著者Li, F.W, Liu, C, Wu, C.L, Wu, D.L.
登録日2022-06-27
公開日2023-11-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
7YB7
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BU of 7yb7 by Molmil
anti-apoptotic protein BCL-2-M12
分子名称: Apoptosis regulator Bcl-2,Bcl-2-like protein 1, N-(2-acetamidoethyl)-4-(4,5-dihydro-1,3-thiazol-2-yl)benzamide, cp2 peptide
著者Li, F.W, Liu, C, Wu, D.L.
登録日2022-06-29
公開日2023-11-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
7Y90
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Crystal Structure Analysis of cp1 bound BCL2
分子名称: (2R)-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid, Apoptosis regulator Bcl-2, cp1 peptide
著者Li, F.W.
登録日2022-06-24
公開日2023-11-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
8YJY
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BU of 8yjy by Molmil
Cryo-EM Structure of CdnG-E2 complex from Serratia marcescens
分子名称: SmCdnG, Type VI secretion protein
著者Xiao, J, Wang, L.
登録日2024-03-03
公開日2024-05-01
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Phage defence system CBASS is regulated by a prokaryotic E2 enzyme that imitates the ubiquitin pathway.
Nat Microbiol, 2024
7YW0
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BU of 7yw0 by Molmil
Bacteroides fragilis Hcp5
分子名称: Bacterodales T6SS protein TssD (Hcp)
著者Wen, Y, He, W, Bai, Y.
登録日2022-08-20
公開日2023-08-30
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structure and assembly of type VI secretion system cargo delivery vehicle.
Cell Rep, 42, 2023
6ZOQ
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BU of 6zoq by Molmil
Oestrogen receptor ligand binding domain in complex with compound 16
分子名称: Estrogen receptor, ~{N}-[4-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-3-methoxy-phenyl]-1-(3-fluoranylpropyl)azetidin-3-amine
著者Breed, J.
登録日2020-07-07
公開日2021-01-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist.
J.Med.Chem., 63, 2020
6ZOR
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Oestrogen receptor ligand binding domain in complex with compound 28
分子名称: 6-[(6~{S},8~{R})-8-methyl-7-[2,2,2-tris(fluoranyl)ethyl]-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-(1-propylazetidin-3-yl)pyridin-3-amine, Estrogen receptor
著者Breed, J.
登録日2020-07-07
公開日2021-01-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist.
J.Med.Chem., 63, 2020
6ZOS
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Oestrogen receptor ligand binding domain in complex with compound 18
分子名称: 6-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-[1-(3-fluoranylpropyl)azetidin-3-yl]pyridin-3-amine, Estrogen receptor
著者Breed, J.
登録日2020-07-07
公開日2021-01-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist.
J.Med.Chem., 63, 2020
7BPI
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BU of 7bpi by Molmil
The crystal structue of PDE10A complexed with 14
分子名称: 8-[(E)-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline, MAGNESIUM ION, ZINC ION, ...
著者Yang, Y, Zhang, S, Zhou, Q, Huang, Y.-Y, Guo, L, Luo, H.-B.
登録日2020-03-22
公開日2021-01-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4000864 Å)
主引用文献Discovery of highly selective and orally available benzimidazole-based phosphodiesterase 10 inhibitors with improved solubility and pharmacokinetic properties for treatment of pulmonary arterial hypertension.
Acta Pharm Sin B, 10, 2020
7KDT
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BU of 7kdt by Molmil
Human Tom70 in complex with SARS CoV2 Orf9b
分子名称: Mitochondrial import receptor subunit TOM70, ORF9b protein
著者QCRG Structural Biology Consortium
登録日2020-10-09
公開日2020-10-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Comparative host-coronavirus protein interaction networks reveal pan-viral disease mechanisms.
Science, 370, 2020
8J6O
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BU of 8j6o by Molmil
transport T2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Green fluorescent protein (Fragment),SID1 transmembrane family member 2, ...
著者Jiang, D.H, Zhang, J.T.
登録日2023-04-26
公開日2024-05-01
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Structural insights into double-stranded RNA recognition and transport by SID-1.
Nat.Struct.Mol.Biol., 2024
8J6M
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BU of 8j6m by Molmil
SIDT1 protein
分子名称: CHOLESTEROL, Green fluorescent protein,SID1 transmembrane family member 1, OLEIC ACID, ...
著者Zhang, J.T, Jiang, D.H.
登録日2023-04-26
公開日2024-05-01
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (2.77 Å)
主引用文献Structural insights into double-stranded RNA recognition and transport by SID-1.
Nat.Struct.Mol.Biol., 2024
8HKE
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BU of 8hke by Molmil
dsRNA transporter
分子名称: RNA (37-MER), Systemic RNA interference defective protein 1, ZINC ION
著者Jiang, D.H, Zhang, J.T.
登録日2022-11-25
公開日2023-11-29
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.71 Å)
主引用文献Structural insights into double-stranded RNA recognition and transport by SID-1.
Nat.Struct.Mol.Biol., 2024
8HIP
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BU of 8hip by Molmil
dsRNA transporter
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Systemic RNA interference defective protein 1, ZINC ION, ...
著者Jiang, D.H, Zhang, J.T.
登録日2022-11-21
公開日2023-11-29
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (2.77 Å)
主引用文献Structural insights into double-stranded RNA recognition and transport by SID-1.
Nat.Struct.Mol.Biol., 2024
6SO5
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BU of 6so5 by Molmil
Homo sapiens WRB/CAML heterotetramer in complex with a TRC40 dimer
分子名称: ATPase ASNA1, Calcium signal-modulating cyclophilin ligand, Tail-anchored protein insertion receptor WRB, ...
著者McDowell, M.A, Heimes, M, Wild, K, Flemming, D, Sinning, I.
登録日2019-08-29
公開日2020-09-09
最終更新日2021-02-17
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structural Basis of Tail-Anchored Membrane Protein Biogenesis by the GET Insertase Complex.
Mol.Cell, 80, 2020
6WM4
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Human V-ATPase in state 3 with SidK and ADP
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, Renin receptor, ...
著者Wang, L, Wu, H, Fu, T.M.
登録日2020-04-20
公開日2020-11-11
最終更新日2020-11-18
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structures of a Complete Human V-ATPase Reveal Mechanisms of Its Assembly.
Mol.Cell, 80, 2020
6WLZ
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BU of 6wlz by Molmil
The V1 region of human V-ATPase in state 1 (focused refinement)
分子名称: ADENOSINE-5'-DIPHOSPHATE, SidK, V-type proton ATPase catalytic subunit A, ...
著者Wang, L, Wu, H, Fu, T.M.
登録日2020-04-20
公開日2020-11-11
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structures of a Complete Human V-ATPase Reveal Mechanisms of Its Assembly.
Mol.Cell, 80, 2020
6WLW
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The Vo region of human V-ATPase in state 1 (focused refinement)
分子名称: (2~{S})-2-$l^{4}-azanyl-3-[[(2~{R})-3-octadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-oxidanylidene-$l^{6}-phosphanyl]oxy-propanoic acid, 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, L, Wu, H, Fu, T.-M.
登録日2020-04-20
公開日2020-11-11
最終更新日2020-11-25
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structures of a Complete Human V-ATPase Reveal Mechanisms of Its Assembly.
Mol.Cell, 80, 2020
6WM2
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BU of 6wm2 by Molmil
Human V-ATPase in state 1 with SidK and ADP
分子名称: (2~{S})-2-$l^{4}-azanyl-3-[[(2~{R})-3-octadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-oxidanylidene-$l^{6}-phosphanyl]oxy-propanoic acid, 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, L, Wu, H, Fu, T.M.
登録日2020-04-20
公開日2020-11-11
最終更新日2020-11-25
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structures of a Complete Human V-ATPase Reveal Mechanisms of Its Assembly.
Mol.Cell, 80, 2020
6WM3
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Human V-ATPase in state 2 with SidK and ADP
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, Renin receptor, ...
著者Wang, L, Wu, H, Fu, T.M.
登録日2020-04-20
公開日2020-11-11
最終更新日2020-11-18
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structures of a Complete Human V-ATPase Reveal Mechanisms of Its Assembly.
Mol.Cell, 80, 2020
6RLN
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BU of 6rln by Molmil
Crystal structure of RIP1 kinase in complex with GSK3145095
分子名称: Receptor-interacting serine/threonine-protein kinase 1, ~{N}-[(3~{S})-7,9-bis(fluoranyl)-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl]-3-(phenylmethyl)-1~{H}-1,2,4-triazole-5-carboxamide
著者Thorpe, J.H, Harris, P.A.
登録日2019-05-02
公開日2019-07-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Identification of a RIP1 Kinase Inhibitor Clinical Candidate (GSK3145095) for the Treatment of Pancreatic Cancer.
Acs Med.Chem.Lett., 10, 2019
6IJX
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Crystal Structure of AKR1C1 complexed with meclofenamic acid
分子名称: 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zheng, X, Zhao, Y, Zhang, L, Zhang, H, Chen, Y, Hu, X.
登録日2018-10-12
公開日2019-10-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors.
Bioorg.Med.Chem., 26, 2018
7N9L
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KirBac3.1 C71S C262S
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Inward rectifier potassium channel Kirbac3.1, POTASSIUM ION, ...
著者Gulbis, J.M, Black, K.A.
登録日2021-06-18
公開日2021-12-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Ion currents through Kir potassium channels are gated by anionic lipids.
Nat Commun, 13, 2022
7N9K
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KirBac3.1 L124M mutant
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Inward rectifier potassium channel Kirbac3.1, N-OCTANE, ...
著者Black, T.A, Gulbis, J.M.
登録日2021-06-18
公開日2021-12-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Ion currents through Kir potassium channels are gated by anionic lipids.
Nat Commun, 13, 2022

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