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6WUS
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BU of 6wus by Molmil
Crystal structure of PRL-1 phosphatase C104D mutant in complex with the Bateman domain of CNNM2 magnesium transporter
分子名称: Metal transporter CNNM2, Protein tyrosine phosphatase type IVA 1
著者Kozlov, G, Gehring, K.
登録日2020-05-05
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.758 Å)
主引用文献Crystal structure of PRL phosphatase C104D mutant in complex with the Bateman domain of CNNM magnesium transporter
J.Biol.Chem., 2020
6WMI
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BU of 6wmi by Molmil
ZNF410 zinc fingers 1-5 with 17 mer blunt DNA Oligonucleotide
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*CP*AP*TP*CP*CP*CP*AP*TP*AP*AP*TP*AP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*TP*AP*TP*TP*AP*TP*GP*GP*GP*AP*TP*GP*TP*G)-3'), ...
著者Ren, R, Horton, J.R, Cheng, X.
登録日2020-04-21
公開日2020-12-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献ZNF410 Uniquely Activates the NuRD Component CHD4 to Silence Fetal Hemoglobin Expression.
Mol.Cell, 81, 2021
6WUR
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BU of 6wur by Molmil
Crystal structure of PRL-2 phosphatase C101D mutant in complex with the Bateman domain of CNNM3 magnesium transporter
分子名称: Metal transporter CNNM3, Protein tyrosine phosphatase type IVA 2, SODIUM ION
著者Kozlov, G, Gehring, K.
登録日2020-05-05
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.882 Å)
主引用文献Crystal structure of PRL phosphatase C104D mutant in complex with the Bateman domain of CNNM magnesium transporter
J.Biol.Chem., 2020
5USF
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BU of 5usf by Molmil
Leishmania donovani tyrosyl-tRNA synthetase in complex with nanobody and inhibitor
分子名称: 5'-O-[N-(L-TYROSYL)SULFAMOYL]ADENOSINE, Immunoglobulin heavy chain variable region, Tyrosyl-tRNA synthetase, ...
著者Barros-Alvarez, X, Hol, W.G.J.
登録日2017-02-13
公開日2017-05-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Leishmania donovani tyrosyl-tRNA synthetase structure in complex with a tyrosyl adenylate analog and comparisons with human and protozoan counterparts.
Biochimie, 138, 2017
6WIM
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BU of 6wim by Molmil
CdiB from Escherichia coli
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Outer membrane transporter CdiB
著者Guerin, J, Botos, I, Buchanan, S.K.
登録日2020-04-10
公開日2020-11-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural insight into toxin secretion by contact dependent growth inhibition transporters.
Elife, 9, 2020
7DXO
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BU of 7dxo by Molmil
The mutant of bifunctional thioesterase catalyzing epimerization and cyclization
分子名称: Non-ribosomal peptide synthetase 4
著者Yu, J.H, Song, J, Chi, C.B, Ma, M.
登録日2021-01-19
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Functional Characterization and Crystal Structure of the Bifunctional Thioesterase Catalyzing Epimerization and Cyclization in Skyllamycin Biosynthesis
Acs Catalysis, 11, 2021
5VQM
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BU of 5vqm by Molmil
Clostridium difficile TcdB-GTD bound to PA41 Fab
分子名称: PA41 FAB HEAVY CHAIN, PA41 FAB LIGHT CHAIN, Toxin B
著者Kroh, H.K, Spiller, B.W, Lacy, D.B.
登録日2017-05-09
公開日2017-12-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献A neutralizing antibody that blocks delivery of the enzymatic cargo of Clostridium difficile toxin TcdB into host cells.
J. Biol. Chem., 293, 2018
5VMT
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BU of 5vmt by Molmil
Crystal structure of a glyceraldehyde-3-phosphate dehydrogenase from Neisseria gonorrhoeae bound to NAD
分子名称: CHLORIDE ION, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2017-04-28
公開日2017-05-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of glyceraldehyde 3-phosphate dehydrogenase in Neisseria gonorrhoeae and Chlamydia trachomatis.
Protein Sci., 29, 2020
7XLB
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BU of 7xlb by Molmil
Cryo-EM structure of human pannexin 2
分子名称: Pannexin-2
著者Hang, Z, Huawei, Z, Daping, W.
登録日2022-04-21
公開日2023-03-15
実験手法ELECTRON MICROSCOPY (3.44 Å)
主引用文献Cryo-EM structure of human heptameric pannexin 2 channel
Nat Commun, 14, 2023
8HOY
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BU of 8hoy by Molmil
Cryo-EM structure of monkeypox virus DNA replication holoenzyme F8, A22 and E4 complex without DNA at 2.76 angostram
分子名称: DNA polymerase, DNA polymerase processivity factor component A20, E4R
著者Xu, Y, Wu, Y, Zhang, Y, Fan, R, Yang, Y, Li, D, Yang, B, Zhang, Z, Dong, C.
登録日2022-12-11
公開日2023-12-13
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献Structure of DNA replication machinery from human monkeypox virus
To Be Published
8HPA
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BU of 8hpa by Molmil
Monkeypox virus DNA replication holoenzyme F8, A22 and E4 complex in a DNA binding form
分子名称: DNA (5'-D(*CP*GP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*TP*AP*C)-3'), DNA (5'-D(P*AP*TP*GP*GP*TP*AP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*CP*G)-3'), DNA polymerase, ...
著者Xu, Y, Wu, Y, Zhang, Y, Fan, R, Yang, Y, Li, D, Yang, B, Zhang, Z, Dong, C.
登録日2022-12-12
公開日2024-01-31
実験手法ELECTRON MICROSCOPY (3.01 Å)
主引用文献Structure of DNA replication machinery from human monkeypox virus
To Be Published
6KZC
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BU of 6kzc by Molmil
crystal structure of TRKc in complex with 3-(imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methyl-N-(3-((4- methylpiperazin-1-yl)methyl)-5- (trifluoromethyl)phenyl)benzamide
分子名称: 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methyl-~{N}-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide, NT-3 growth factor receptor
著者Zhang, Z.M, Wang, Y.
登録日2019-09-23
公開日2019-10-09
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design, synthesis and biological evaluation of 3-(imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methylbenzamides as potent and selective pan-tropomyosin receptor kinase (TRK) inhibitors.
Eur.J.Med.Chem., 179, 2019
7E7Y
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BU of 7e7y by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-623 Fab
分子名称: BD-623 Fab H, BD-623 Fab L, Spike protein S1
著者Wei, Y, Xiao, J.
登録日2021-02-28
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
7E88
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BU of 7e88 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-515 Fab
分子名称: BD-515 Fab Heavy Chain, BD-515 Fab Light Chain, Spike protein S1
著者Gao, C, Wei, Y, Xiao, J.
登録日2021-03-01
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
7E86
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BU of 7e86 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-508 Fab
分子名称: BD-508 Fab Heavy Chain, BD-508 Fab Light Chain, Spike protein S1
著者Gao, C, Xiao, J.
登録日2021-03-01
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
5EWS
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BU of 5ews by Molmil
Sugar binding protein - human galectin-2
分子名称: Galectin-2, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Su, J.Y, Si, Y.L.
登録日2015-11-21
公開日2016-09-14
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Human galectin-2 interacts with carbohydrates and peptides non-classically: new insight from X-ray crystallography and hemagglutination.
Acta Biochim. Biophys. Sin. (Shanghai), 48, 2016
6JJB
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BU of 6jjb by Molmil
BRD4 in complex with ZZM1
分子名称: 2-methoxy-N-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)benzenesulfonamide, Bromodomain-containing protein 4
著者Xu, J, Chen, Y, Jiang, F, Zhu, J.
登録日2019-02-25
公開日2020-01-22
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.508 Å)
主引用文献Discovery of Benzo[cd]indol-2(1H)-ones and Pyrrolo[4,3,2-de]quinolin-2(1H)-ones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the First Bromodomain with Potential High Efficiency against Acute Gouty Arthritis.
J.Med.Chem., 62, 2019
6MN6
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BU of 6mn6 by Molmil
Crystal structure of the cytosolic domain of human CNNM3
分子名称: Metal transporter CNNM3
著者Chen, Y.S, Yang, M, Gehring, K.
登録日2018-10-01
公開日2019-10-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.36 Å)
主引用文献Mg2+-ATP Sensing in CNNM, a Putative Magnesium Transporter.
Structure, 28, 2020
5GJ4
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BU of 5gj4 by Molmil
Structure of NS2B-NS3 Protease from Zika Virus caught after self-cleavage
分子名称: CHLORIDE ION, Serine protease NS3, Serine protease subunit NS2B
著者Phoo, W.W, Li, Y.
登録日2016-06-27
公開日2016-10-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.839 Å)
主引用文献Structure of the NS2B-NS3 protease from Zika virus after self-cleavage.
Nat Commun, 7, 2016
5GMP
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BU of 5gmp by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with XTF-262
分子名称: Epidermal growth factor receptor, N-[3-[2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide
著者Yan, X.E, Yun, C.H.
登録日2016-07-14
公開日2017-06-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.797 Å)
主引用文献A structure-guided optimization of pyrido[2,3-d]pyrimidin-7-ones as selective inhibitors of EGFR(L858R/T790M) mutant with improved pharmacokinetic properties.
Eur J Med Chem, 126, 2017
6NM0
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BU of 6nm0 by Molmil
Selective inhibition of carbonic anhydrase IX activity, using compound SLC-149, displays limited anticancer effects in breast cancer cell lines
分子名称: 4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Singh, S, McKenna, R.
登録日2019-01-10
公開日2020-01-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Inhibition of Carbonic Anhydrase Using SLC-149: Support for a Noncatalytic Function of CAIX in Breast Cancer.
J.Med.Chem., 64, 2021
6N7E
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BU of 6n7e by Molmil
Crystal structure of the cytosolic domain of human CNNM2 in complex with AMP-PNP and Mg2+
分子名称: MAGNESIUM ION, Metal transporter CNNM2,Metal transporter CNNM2, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Chen, Y.S, Gehring, K.
登録日2018-11-27
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Mg2+-ATP Sensing in CNNM, a Putative Magnesium Transporter.
Structure, 28, 2020
5FA8
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BU of 5fa8 by Molmil
SAM complex with aKMT from the hyperthermophilic archaeon Sulfolobus islandicu
分子名称: MAGNESIUM ION, Ribosomal protein L11 methyltransferase, putative, ...
著者Ouyang, S.
登録日2015-12-11
公開日2016-06-29
最終更新日2016-09-14
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献aKMT Catalyzes Extensive Protein Lysine Methylation in the Hyperthermophilic Archaeon Sulfolobus islandicus but is Dispensable for the Growth of the Organism
Mol.Cell Proteomics, 15, 2016
6NVJ
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BU of 6nvj by Molmil
FGFR4 complex with N-(2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-3-fluorophenyl)acrylamide
分子名称: Fibroblast growth factor receptor 4, N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-fluorophenyl]propanamide, SULFATE ION
著者Lin, X, Smaill, J.B, Squire, C.J, Yosaatmadja, Y.
登録日2019-02-05
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4.
Acs Med.Chem.Lett., 10, 2019
6NVL
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BU of 6nvl by Molmil
FGFR1 complex with N-(2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-3-methylphenyl)acrylamide
分子名称: Fibroblast growth factor receptor 1, N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-methylphenyl]propanamide, SULFATE ION
著者Lin, X, Smaill, J.B, Squire, C.J.
登録日2019-02-05
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4.
Acs Med.Chem.Lett., 10, 2019

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