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8H0E
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Crystal structure of collagen heterotrimer with KD, ER and KE axial pairs
分子名称: collagen-like peptide chain A, collagen-like peptide chain B, collagen-like peptide chain C
著者Fan, S.
登録日2022-09-28
公開日2023-07-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Stability of collagen heterotrimer with same charge pattern and different charged residue identities.
Biophys.J., 122, 2023
3J1P
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BU of 3j1p by Molmil
Atomic model of rabbit hemorrhagic disease virus
分子名称: Major capsid protein VP60
著者Wang, X, Liu, Y, Sun, F.
登録日2012-04-09
公開日2013-01-30
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (6.5 Å)
主引用文献Atomic model of rabbit hemorrhagic disease virus by cryo-electron microscopy and crystallography.
Plos Pathog., 9, 2013
6SJ7
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BU of 6sj7 by Molmil
Structure of the human DDB1-DDA1-DCAF15 E3 ubiquitin ligase bound to RBM39 and Indisulam
分子名称: DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, DNA damage-binding protein 1, ...
著者Srinivas, H.
登録日2019-08-12
公開日2019-12-18
最終更新日2019-12-25
実験手法ELECTRON MICROSCOPY (3.54 Å)
主引用文献Structural basis of indisulam-mediated RBM39 recruitment to DCAF15 E3 ligase complex.
Nat.Chem.Biol., 16, 2020
6KHI
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BU of 6khi by Molmil
Supercomplex for cylic electron transport in cyanobacteria
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Pan, X, Cao, D, Xie, F, Zhang, X, Li, M.
登録日2019-07-15
公開日2020-02-12
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for electron transport mechanism of complex I-like photosynthetic NAD(P)H dehydrogenase.
Nat Commun, 11, 2020
6KCV
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BU of 6kcv by Molmil
Structure of alginate lyase Aly36B mutant K143A/Y185A in complex with alginate tetrasaccharide
分子名称: Alginate lyase, CALCIUM ION, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid
著者Dong, F, Zhang, Y.Z, Chen, X.L.
登録日2019-06-29
公開日2020-06-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.282 Å)
主引用文献Alginate Lyase Aly36B is a New Bacterial Member of the Polysaccharide Lyase Family 36 and Catalyzes by a Novel Mechanism With Lysine as Both the Catalytic Base and Catalytic Acid.
J.Mol.Biol., 431, 2019
6KZK
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Structure of alginate lyase Aly36B mutant K143A/M171A in complex with alginate trisaccharide
分子名称: Alginate lyase, CALCIUM ION, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid
著者Zhang, Y.Z, Dong, F, Chen, X.L.
登録日2019-09-24
公開日2020-09-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.789 Å)
主引用文献Alginate Lyase Aly36B is a New Bacterial Member of the Polysaccharide Lyase Family 36 and Catalyzes by a Novel Mechanism With Lysine as Both the Catalytic Base and Catalytic Acid.
J.Mol.Biol., 431, 2019
7Y1F
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Cryo-EM structure of human k-opioid receptor-Gi complex
分子名称: Dynorphin, 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Chen, B.O, Xu, F.E.
登録日2022-06-08
公開日2023-05-24
最終更新日2023-06-21
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structure of human kappa-opioid receptor-Gi complex bound to an endogenous agonist dynorphin A.
Protein Cell, 14, 2023
8GZO
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Crystal structure of collagen heterotrimer with K, D, E, R residuesC
分子名称: collagen-like peptide
著者Fan, S.
登録日2022-09-27
公開日2023-07-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Stability of collagen heterotrimer with same charge pattern and different charged residue identities.
Biophys.J., 122, 2023
5ULA
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BU of 5ula by Molmil
Crystal Structure of the First Bromodomain of Human BRD4 in Complex With Cyclic Vinylogous Amide Inhibitor MS402
分子名称: 3-chloranyl-~{N}-(4-methoxyphenyl)-4-[(2-methyl-3-oxidanylidene-cyclopenten-1-yl)amino]benzamide, Bromodomain-containing protein 4
著者Plotnikov, A.N, Joshua, j, Zhou, M.-M.
登録日2017-01-24
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献BET N-terminal bromodomain inhibition selectively blocks Th17 cell differentiation and ameliorates colitis in mice.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6DL2
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BU of 6dl2 by Molmil
BRD4 bromodomain 1 in complex with HYB157
分子名称: 1,2-ETHANEDIOL, 3-benzyl-2,9-dimethyl-4H,6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,4]oxazepine, Bromodomain-containing protein 4
著者Meagher, J.L, Stuckey, J.A.
登録日2018-05-31
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Discovery of QCA570 as an Exceptionally Potent and Efficacious Proteolysis Targeting Chimera (PROTAC) Degrader of the Bromodomain and Extra-Terminal (BET) Proteins Capable of Inducing Complete and Durable Tumor Regression.
J. Med. Chem., 61, 2018
8E9E
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BU of 8e9e by Molmil
Rat protein farnesyltransferase in complex with FPP and inhibitor 2f
分子名称: (5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-butyl-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Wang, Y, Shi, Y, Beese, L.S.
登録日2022-08-26
公開日2022-10-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.844 Å)
主引用文献Structure-Guided Discovery of Potent Antifungals that Prevent Ras Signaling by Inhibiting Protein Farnesyltransferase.
J.Med.Chem., 65, 2022
8WM9
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BU of 8wm9 by Molmil
Fzd4/DEP complex
分子名称: CHOLESTEROL HEMISUCCINATE, Frizzled-4, Segment polarity protein dishevelled homolog DVL-2
著者He, Y, Qian, Y.
登録日2023-10-03
公開日2024-09-11
実験手法ELECTRON MICROSCOPY (3.53 Å)
主引用文献Structural basis of Frizzled 4 in recognition of Dishevelled 2 unveils mechanism of WNT signaling activation.
Nat Commun, 15, 2024
8WMA
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BU of 8wma by Molmil
Fzd4/DEP complex (local refined)
分子名称: Frizzled-4, Segment polarity protein dishevelled homolog DVL-2
著者He, Y, Qian, Y.
登録日2023-10-03
公開日2024-09-11
実験手法ELECTRON MICROSCOPY (3.47 Å)
主引用文献Structural basis of Frizzled 4 in recognition of Dishevelled 2 unveils mechanism of WNT signaling activation.
Nat Commun, 15, 2024
6UD7
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BU of 6ud7 by Molmil
Crystal structure of full-length human DCAF15-DDB1(deltaBPB)-DDA1-RBM39 in complex with indisulam
分子名称: DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, DNA damage-binding protein 1,DNA damage-binding protein 1, ...
著者Bussiere, D.E, Shu, W, Xie, L, Knapp, M.
登録日2019-09-18
公開日2019-12-18
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of indisulam-mediated RBM39 recruitment to DCAF15 E3 ligase complex.
Nat.Chem.Biol., 16, 2020
6UE5
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BU of 6ue5 by Molmil
Crystal structure of full-length human DCAF15-DDB1-deltaPBP-DDA1-RBM39 in complex with 4-(aminomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide
分子名称: 4-(aminomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzene-1-sulfonamide, DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, ...
著者Knapp, M.S, Shu, W, Xie, L, Bussiere, D.E.
登録日2019-09-20
公開日2019-12-18
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Structural basis of indisulam-mediated RBM39 recruitment to DCAF15 E3 ligase complex.
Nat.Chem.Biol., 16, 2020
7LTB
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BU of 7ltb by Molmil
Crystal Structure of Keratinicyclin B
分子名称: (2~{S},4~{S},5~{R},6~{S})-4-azanyl-5-methoxy-6-methyl-oxan-2-ol, 3-ammonio-2,3,6-trideoxy-alpha-L-arabino-hexopyranose-(1-2)-beta-D-glucopyranose, FORMIC ACID, ...
著者Davis, K.M, Jeffrey, P.D, Seyedsayamdost, M.R.
登録日2021-02-19
公開日2022-12-07
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Potent and specific antibiotic combination therapy against Clostridioides difficile.
Nat.Chem.Biol., 20, 2024
7LKC
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Crystal Structure of Keratinimicin A
分子名称: (2~{S},4~{S},5~{R},6~{S})-4-azanyl-5-methoxy-6-methyl-oxan-2-ol, CHLORIDE ION, FORMIC ACID, ...
著者Davis, K.M, Jeffrey, P.D, Seyedsayamdost, M.R.
登録日2021-02-02
公開日2022-12-07
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Potent and specific antibiotic combination therapy against Clostridioides difficile.
Nat.Chem.Biol., 20, 2024
7T0D
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BU of 7t0d by Molmil
Cryptococcus neoformans protein farnesyltransferase in complex with FPP and inhibitor 2k
分子名称: (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, (5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-propyl-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one, 1,2-ETHANEDIOL, ...
著者Wang, Y, Shi, Y, Beese, L.S.
登録日2021-11-29
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.906 Å)
主引用文献Structure-Guided Discovery of Potent Antifungals that Prevent Ras Signaling by Inhibiting Protein Farnesyltransferase.
J.Med.Chem., 65, 2022
7T0E
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BU of 7t0e by Molmil
Cryptococcus neoformans protein farnesyltransferase in complex with FPP and inhibitor 2b
分子名称: (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, (5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-butyl-1-(3-chlorophenyl)piperazin-2-one, 1,2-ETHANEDIOL, ...
著者Wang, Y, Shi, Y, Beese, L.S.
登録日2021-11-29
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.223 Å)
主引用文献Structure-Guided Discovery of Potent Antifungals that Prevent Ras Signaling by Inhibiting Protein Farnesyltransferase.
J.Med.Chem., 65, 2022
7T0C
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BU of 7t0c by Molmil
Cryptococcus neoformans protein farnesyltransferase in complex with FPP and inhibitor 2e
分子名称: (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, (5S)-5-butyl-4-({1-[(4-chlorophenyl)methyl]-1H-imidazol-5-yl}methyl)-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one, 1,2-ETHANEDIOL, ...
著者Wang, Y, Shi, Y, Beese, L.S.
登録日2021-11-29
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献Structure-Guided Discovery of Potent Antifungals that Prevent Ras Signaling by Inhibiting Protein Farnesyltransferase.
J.Med.Chem., 65, 2022
7T0B
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BU of 7t0b by Molmil
Cryptococcus neoformans protein farnesyltransferase in complex with FPP and inhibitor 2g
分子名称: (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, (5S)-5-butyl-4-({1-[(4-fluorophenyl)methyl]-1H-imidazol-5-yl}methyl)-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one, 1,2-ETHANEDIOL, ...
著者Wang, Y, Shi, Y, Beese, L.S.
登録日2021-11-29
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.026 Å)
主引用文献Structure-Guided Discovery of Potent Antifungals that Prevent Ras Signaling by Inhibiting Protein Farnesyltransferase.
J.Med.Chem., 65, 2022
7T09
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BU of 7t09 by Molmil
Cryptococcus neoformans protein farnesyltransferase in complex with FPP and inhibitor 2d
分子名称: (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, 1,2-ETHANEDIOL, 4-{[5-({(2S)-2-butyl-5-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl}methyl)-1H-imidazol-1-yl]methyl}benzonitrile, ...
著者Wang, Y, Shi, Y, Beese, L.S.
登録日2021-11-29
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.984 Å)
主引用文献Structure-Guided Discovery of Potent Antifungals that Prevent Ras Signaling by Inhibiting Protein Farnesyltransferase.
J.Med.Chem., 65, 2022
7T0A
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BU of 7t0a by Molmil
Cryptococcus neoformans protein farnesyltransferase co-crystallized with FPP and inhibitor 2f
分子名称: (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, (5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-butyl-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one, 1,2-ETHANEDIOL, ...
著者Wang, Y, Shi, Y, Beese, L.S.
登録日2021-11-29
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Structure-Guided Discovery of Potent Antifungals that Prevent Ras Signaling by Inhibiting Protein Farnesyltransferase.
J.Med.Chem., 65, 2022
7T08
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BU of 7t08 by Molmil
Cryptococcus neoformans protein farnesyltransferase in complex with FPP and inhibitor 2q
分子名称: (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, 1,2-ETHANEDIOL, 4-{[5-({(2S)-2-butyl-5-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl}methyl)-1H-imidazol-1-yl]methyl}-2-fluorobenzonitrile, ...
著者Wang, Y, Shi, Y, Beese, L.S.
登録日2021-11-29
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.803 Å)
主引用文献Structure-Guided Discovery of Potent Antifungals that Prevent Ras Signaling by Inhibiting Protein Farnesyltransferase.
J.Med.Chem., 65, 2022
7W7F
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Cryo-EM structure of human NaV1.3/beta1/beta2-ICA121431
分子名称: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2,2-diphenyl-~{N}-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]ethanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Jiang, D, Li, X.
登録日2021-12-04
公開日2022-04-06
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Structural basis for modulation of human Na V 1.3 by clinical drug and selective antagonist.
Nat Commun, 13, 2022

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