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9F9K
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BU of 9f9k by Molmil
Crystal structure of MUS81-EME1 bound by compound 15.
分子名称: 5-oxidanyl-6-oxidanylidene-2-(4-phenylphenyl)-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ...
著者Collie, G.W.
登録日2024-05-07
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.728 Å)
主引用文献Fragment-Based Discovery of Novel MUS81 Inhibitors
Acs Med.Chem.Lett., 2024
9F99
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BU of 9f99 by Molmil
Crystal structure of MUS81-EME1 bound by compound 10.
分子名称: 2-(4-chlorophenyl)-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ...
著者Collie, G.W.
登録日2024-05-07
公開日2024-06-19
実験手法X-RAY DIFFRACTION (2.803 Å)
主引用文献Fragment-Based Discovery of Novel MUS81 Inhibitors
Acs Med.Chem.Lett., 2024
9F9A
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BU of 9f9a by Molmil
Crystal structure of MUS81-EME1 bound by compound 12.
分子名称: 2-naphthalen-2-yl-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ...
著者Collie, G.W.
登録日2024-05-07
公開日2024-06-19
実験手法X-RAY DIFFRACTION (2.911 Å)
主引用文献Fragment-Based Discovery of Novel MUS81 Inhibitors
Acs Med.Chem.Lett., 2024
9F9L
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BU of 9f9l by Molmil
Crystal structure of MUS81-EME1 bound by compound 16.
分子名称: 2-[2-[4-(cyanomethyl)phenyl]phenyl]-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ...
著者Collie, G.W.
登録日2024-05-07
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Fragment-Based Discovery of Novel MUS81 Inhibitors
Acs Med.Chem.Lett., 2024
4OBX
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BU of 4obx by Molmil
Crystal structure of yeast Coq5 in the apo form
分子名称: 2-methoxy-6-polyprenyl-1,4-benzoquinol methylase, mitochondrial, TRIS(HYDROXYETHYL)AMINOMETHANE
著者Dai, Y.N, Zhou, K, Cao, D.D, Jiang, Y.L, Meng, F, Chi, C.B, Ren, Y.M, Chen, Y.X, Zhou, C.Z.
登録日2014-01-07
公開日2014-08-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures and catalytic mechanism of the C-methyltransferase Coq5 provide insights into a key step of the yeast coenzyme Q synthesis pathway.
Acta Crystallogr.,Sect.D, 70, 2014
4OBW
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BU of 4obw by Molmil
crystal structure of yeast Coq5 in the SAM bound form
分子名称: 2-methoxy-6-polyprenyl-1,4-benzoquinol methylase, mitochondrial, S-ADENOSYLMETHIONINE, ...
著者Dai, Y.N, Zhou, K, Cao, D.D, Jiang, Y.L, Meng, F, Chi, C.B, Ren, Y.M, Chen, Y.X, Zhou, C.Z.
登録日2014-01-07
公開日2014-08-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures and catalytic mechanism of the C-methyltransferase Coq5 provide insights into a key step of the yeast coenzyme Q synthesis pathway.
Acta Crystallogr.,Sect.D, 70, 2014
7YTJ
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BU of 7ytj by Molmil
Cryo-EM structure of VTC complex
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, INOSITOL HEXAKISPHOSPHATE, PHOSPHATE ION, ...
著者Guan, Z.Y, Chen, J, Liu, R.W, Chen, Y.K, Xing, Q, Du, Z.M, Liu, Z.
登録日2022-08-15
公開日2023-02-22
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献The cytoplasmic synthesis and coupled membrane translocation of eukaryotic polyphosphate by signal-activated VTC complex.
Nat Commun, 14, 2023
4X36
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BU of 4x36 by Molmil
Crystal structure of the autolysin LytA from Streptococcus pneumoniae TIGR4
分子名称: Autolysin, CHOLINE ION, GLYCEROL, ...
著者Cheng, W, Li, Q, Zhou, C.Z, Chen, Y.X.
登録日2014-11-28
公開日2015-05-27
最終更新日2015-06-24
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Full-length structure of the major autolysin LytA.
Acta Crystallogr.,Sect.D, 71, 2015
4XSP
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BU of 4xsp by Molmil
Crystal structure of Anabaena Alr3699/HepE in complex with UDP
分子名称: Alr3699 protein, GLYCEROL, URIDINE-5'-DIPHOSPHATE
著者Wang, X.P, Dai, Y.N, Jiang, Y.L, Cheng, W, Chen, Y.X, Zhou, C.Z.
登録日2015-01-22
公開日2016-01-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural and enzymatic analyses of a glucosyltransferase Alr3699/HepE involved in Anabaena heterocyst envelop polysaccharide biosynthesis
Glycobiology, 26, 2016
4XSR
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BU of 4xsr by Molmil
Crystal structure of Anabaena Alr3699/HepE in complex with UDP-glucose
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Alr3699 protein, SULFATE ION, ...
著者Wang, X.P, Dai, Y.N, Jiang, Y.L, Cheng, W, Chen, Y.X, Zhou, C.Z.
登録日2015-01-22
公開日2016-01-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structural and enzymatic analyses of a glucosyltransferase Alr3699/HepE involved in Anabaena heterocyst envelop polysaccharide biosynthesis
Glycobiology, 26, 2016
4XSO
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BU of 4xso by Molmil
Crystal structure of apo-form Alr3699/HepE from Anabaena sp. strain PCC 7120
分子名称: Alr3699 protein, GLYCEROL
著者Wang, X.P, Dai, Y.N, Jiang, Y.L, Cheng, W, Chen, Y.X, Zhou, C.Z.
登録日2015-01-22
公開日2016-01-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structural and enzymatic analyses of a glucosyltransferase Alr3699/HepE involved in Anabaena heterocyst envelop polysaccharide biosynthesis
Glycobiology, 26, 2016
4XSU
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BU of 4xsu by Molmil
Crystal structure of Anabaena Alr3699/HepE in complex with UDP and glucose
分子名称: Alr3699 protein, GLYCEROL, SULFATE ION, ...
著者Wang, X.P, Dai, Y.N, Jiang, Y.L, Cheng, W, Chen, Y.X, Zhou, C.Z.
登録日2015-01-22
公開日2016-01-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structural and enzymatic analyses of a glucosyltransferase Alr3699/HepE involved in Anabaena heterocyst envelop polysaccharide biosynthesis
Glycobiology, 26, 2016
8H08
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BU of 8h08 by Molmil
SARS-CoV-2 BA.1 variants S ectodomain trimer in complex with neutralizing antibody 10-5B and 6-2C
分子名称: 10-5B H chain, 10-5B L chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, X, Wang, Z.
登録日2022-09-28
公開日2023-05-31
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Inactivated vaccine-elicited potent antibodies can broadly neutralize SARS-CoV-2 circulating variants.
Nat Commun, 14, 2023
8H07
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BU of 8h07 by Molmil
SARS-CoV-2 BA.4 variants S ectodomain trimer in complex with neutralizing antibody 10-5B and 6-2C
分子名称: 10-5B H chain, 10-5B L chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, X, Wang, Z.
登録日2022-09-28
公開日2023-05-31
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Inactivated vaccine-elicited potent antibodies can broadly neutralize SARS-CoV-2 circulating variants.
Nat Commun, 14, 2023
4U8Z
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BU of 4u8z by Molmil
Crystal structure of MST3 with a pyrrolopyrimidine inhibitor (PF-06447475)
分子名称: 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, MANGANESE (II) ION, Serine/threonine-protein kinase 24
著者Jasti, J, Song, X, Griffor, M, Kurumbail, R.G.
登録日2014-08-05
公開日2015-03-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Discovery and preclinical profiling of 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 kinase inhibitor.
J.Med.Chem., 58, 2015
2WIB
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BU of 2wib by Molmil
Crystal Structures of the N-terminal Intracellular Domain of FeoB from Klebsiella Pneumoniae in GDP binding state
分子名称: FERROUS IRON TRANSPORT PROTEIN B, GUANOSINE-5'-DIPHOSPHATE
著者Hung, K.-W, Chang, Y.-W, Chen, J.-H, Chen, Y.-C, Sun, Y.-J, Hsiao, C.-D, Huang, T.-H.
登録日2009-05-09
公開日2010-05-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Structural Fold, Conservation and Fe(II) Binding of the Intracellular Domain of Prokaryote Feob.
J.Struct.Biol., 170, 2010
2WIA
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BU of 2wia by Molmil
Crystal Structures of the N-terminal Intracellular Domain of FeoB from Klebsiella Pneumoniae in Apo Form
分子名称: FERROUS IRON TRANSPORT PROTEIN B, MAGNESIUM ION
著者Hung, K.-W, Chang, Y.-W, Chen, J.-H, Chen, Y.-C, Sun, Y.-J, Hsiao, C.-D, Huang, T.-H.
登録日2009-05-09
公開日2010-05-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural Fold, Conservation and Fe(II) Binding of the Intracellular Domain of Prokaryote Feob.
J.Struct.Biol., 170, 2010
2WIC
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BU of 2wic by Molmil
Crystal Structures of the N-terminal Intracellular Domain of FeoB from Klebsiella Pneumoniae in GMPPNP binding state
分子名称: FERROUS IRON TRANSPORT PROTEIN B, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
著者Hung, K.-W, Chang, Y.-W, Chen, J.-H, Chen, Y.-C, Sun, Y.-J, Hsiao, C.-D, Huang, T.-H.
登録日2009-05-09
公開日2010-05-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Fold, Conservation and Fe(II) Binding of the Intracellular Domain of Prokaryote Feob.
J.Struct.Biol., 170, 2010
6K9E
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BU of 6k9e by Molmil
The A form apo structure of NrS-1 C terminal region-CTR(305-718)
分子名称: PHOSPHATE ION, Primase
著者Chen, X, Gan, J.
登録日2019-06-14
公開日2020-06-17
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural studies reveal a ring-shaped architecture of deep-sea vent phage NrS-1 polymerase.
Nucleic Acids Res., 48, 2020
7YMK
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BU of 7ymk by Molmil
Estrogen Receptor Alpha Ligand Binding Domain C381S C417S Y537S Mutant in Complex with an Covalent Selective Estrogen Receptor Degrader 29c and GRIP Peptide
分子名称: DI(HYDROXYETHYL)ETHER, Estrogen receptor, Grip peptide, ...
著者Min, J, Hu, H.B, Yang, Y, Dong, C.E, Zhou, H.B, Chen, C.-C, Guo, R.-T.
登録日2022-07-28
公開日2023-05-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Discovery of novel covalent selective estrogen receptor degraders against endocrine-resistant breast cancer.
Acta Pharm Sin B, 13, 2023
8QJR
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BU of 8qjr by Molmil
BRG1 bromodomain in complex with VBC via compound 17
分子名称: (2S,4R)-1-[(2R)-2-[3-[2-[4-[3-[4-[(1R,5S)-3-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxycyclobutyl]oxypiperidin-1-yl]ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, CHLORIDE ION, Elongin-B, ...
著者Kerry, P.S, Hole, A.J, Perez-Dorado, J.I.
登録日2023-09-13
公開日2024-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models.
J.Med.Chem., 67, 2024
8QJS
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BU of 8qjs by Molmil
VHL/Elongin B/Elongin C complex with compound 155
分子名称: (2S,4R)-1-[(2R)-2-[3-[2-(2-methoxyethoxy)ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Kerry, P.S, Hole, A.J, Perez-Dorado, J.I.
登録日2023-09-13
公開日2024-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.191 Å)
主引用文献PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models.
J.Med.Chem., 67, 2024
8QJT
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BU of 8qjt by Molmil
BRM (SMARCA2) Bromodomain in complex with ligand 10
分子名称: 2-[6-azanyl-5-[(1R,5S)-8-[2-(2-methoxyethoxy)pyridin-4-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol, CHLORIDE ION, Probable global transcription activator SNF2L2, ...
著者Kerry, P.S, Hole, A.J, Perez-Dorado, J.I.
登録日2023-09-13
公開日2024-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.568 Å)
主引用文献PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models.
J.Med.Chem., 67, 2024
5OV7
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BU of 5ov7 by Molmil
tubulin - rigosertib complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Menchon, G, Prota, A.E, Steinmetz, M, Jost, M.
登録日2017-08-28
公開日2017-10-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.402 Å)
主引用文献Combined CRISPRi/a-Based Chemical Genetic Screens Reveal that Rigosertib Is a Microtubule-Destabilizing Agent.
Mol. Cell, 68, 2017
8FR6
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BU of 8fr6 by Molmil
Antibody vFP53.02 in complex with HIV-1 envelope trimer BG505 DS-SOSIP
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, Envelope glycoprotein gp120, ...
著者Wang, S, Kwong, P.D.
登録日2023-01-06
公開日2023-04-19
最終更新日2023-06-07
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023

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