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7LKC
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BU of 7lkc by Molmil
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2023-11-15
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Structural and Functional Analysis of Keratinicyclin Reveals Synergistic Antibiosis with Vancomycin against Clostridium difficile
to be published
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2023-11-15
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Structural and Functional Analysis of Keratinicyclin Reveals Synergistic Antibiosis with Vancomycin against Clostridium difficile
to be published
6KCW
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Structure of alginate lyase Aly36B
分子名称: Alginate lyase, CALCIUM ION, PHOSPHATE ION
著者Dong, F, Chen, X.L, Zhang, Y.Z.
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 (2.28 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
6KHJ
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BU of 6khj by Molmil
Supercomplex for electron transfer
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
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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BU of 6kzk by Molmil
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
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
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
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
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
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
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
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
3EII
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BU of 3eii by Molmil
Zinc-bound glycoside hydrolase 61 E from Thielavia terrestris
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ...
著者Salbo, R, Welner, D, Lo Leggio, L, Harris, P, McFarland, K.
登録日2008-09-16
公開日2009-10-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Stimulation of lignocellulosic biomass hydrolysis by proteins of glycoside hydrolase family 61: structure and function of a large, enigmatic family.
Biochemistry, 49, 2010
3EJA
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BU of 3eja by Molmil
Magnesium-bound glycoside hydrolase 61 isoform E from Thielavia terrestris
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, MAGNESIUM ION, ...
著者Salbo, R, Welner, D, Lo Leggio, L, Harris, P, McFarland, K.
登録日2008-09-18
公開日2009-10-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献Stimulation of lignocellulosic biomass hydrolysis by proteins of glycoside hydrolase family 61: structure and function of a large, enigmatic family.
Biochemistry, 49, 2010
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
8H0F
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BU of 8h0f by Molmil
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 (1.87 Å)
主引用文献Stability of collagen heterotrimer with same charge pattern and different charged residue identities.
Biophys.J., 122, 2023
8H0E
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BU of 8h0e by Molmil
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
8HJ0
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BU of 8hj0 by Molmil
GPR21(m5) and G15 complex
分子名称: 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, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Chen, B, Lin, X.
登録日2022-11-22
公開日2023-03-15
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Cryo-EM structures of orphan GPR21 signaling complexes.
Nat Commun, 14, 2023
4GHU
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BU of 4ghu by Molmil
Crystal structure of TRAF3/Cardif
分子名称: Mitochondrial antiviral-signaling protein, TNF receptor-associated factor 3
著者Zhang, P.
登録日2012-08-08
公開日2012-11-28
実験手法X-RAY DIFFRACTION (2.199 Å)
主引用文献Single Amino Acid Substitutions Confer the Antiviral Activity of the TRAF3 Adaptor Protein onto TRAF5
Sci.Signal., 5, 2012
4GJH
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BU of 4gjh by Molmil
Crystal Structure of the TRAF domain of TRAF5
分子名称: TNF receptor-associated factor 5
著者Zhang, P, Reichardt, A, Liang, H, Wang, Y, Cheng, D, Aliyari, R, Cheng, G, Liu, Y.
登録日2012-08-09
公開日2012-11-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.805 Å)
主引用文献Single Amino Acid Substitutions Confer the Antiviral Activity of the TRAF3 Adaptor Protein onto TRAF5
Sci.Signal., 5, 2012
5XZD
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BU of 5xzd by Molmil
Structure of acryloyl-CoA hydratase AcuH from Roseovarius nubinhibens ISM
分子名称: ACETIC ACID, Enoyl-CoA hydratase
著者Zhang, Y.Z, Wang, P, Cao, H.Y.
登録日2017-07-12
公開日2018-07-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular Insight into the Acryloyl-CoA Hydration by AcuH for Acrylate Detoxification in Dimethylsulfoniopropionate-Catabolizing Bacteria
Front Microbiol, 8, 2017
5YAN
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BU of 5yan by Molmil
Deconstructing the Salt-Bridge Network of a Computationally Designed Collagen Heterotrimer
分子名称: Collagen
著者Fan, S.
登録日2017-09-01
公開日2018-06-13
最終更新日2018-12-26
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献How electrostatic networks modulate specificity and stability of collagen.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018

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