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4Y6M
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BU of 4y6m by Molmil
Structure of plasmepsin II from Plasmodium falciparum complexed with inhibitor PG418
分子名称: GLYCEROL, Plasmepsin-2, ~{N}1-[(~{Z},3~{R})-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-but-1-en-2-yl]-5-piperidin-1-yl-~{N}3,~{N}3-dipropyl-benzene-1,3-dicarboxamide
著者Recacha, R, Akopjana, I, Tars, K, Jaudzems, K.
登録日2015-02-13
公開日2015-12-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structures of plasmepsin II from Plasmodium falciparum in complex with two hydroxyethylamine-based inhibitors.
Acta Crystallogr.,Sect.F, 71, 2015
5H2O
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BU of 5h2o by Molmil
A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 250 us after photoexcitation
分子名称: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
著者Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S.
登録日2016-10-15
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
5H2L
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BU of 5h2l by Molmil
A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 5.25 us after photoexcitation
分子名称: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
著者Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S.
登録日2016-10-15
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
5H2N
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BU of 5h2n by Molmil
A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 95.2 us after photoexcitation
分子名称: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
著者Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S.
登録日2016-10-15
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
5H2M
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BU of 5h2m by Molmil
A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 13.8 us after photoexcitation
分子名称: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
著者Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S.
登録日2016-10-15
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
5H2J
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BU of 5h2j by Molmil
A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 290 ns after photoexcitation
分子名称: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
著者Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S.
登録日2016-10-15
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
5H2P
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BU of 5h2p by Molmil
A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 657 us after photoexcitation
分子名称: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
著者Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S.
登録日2016-10-15
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
5H2H
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BU of 5h2h by Molmil
A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 40 ns after photoexcitation
分子名称: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
著者Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S.
登録日2016-10-15
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
5H2K
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BU of 5h2k by Molmil
A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 2 us after photoexcitation
分子名称: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
著者Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S.
登録日2016-10-15
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
5LQP
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BU of 5lqp by Molmil
Cryo-EM reconstruction of bacteriophage AP205 virus-like particles.
分子名称: Coat protein
著者Diebolder, C.A, Rumnieks, J, Tars, K, Koning, R.I.
登録日2016-08-17
公開日2016-12-14
最終更新日2019-10-23
実験手法ELECTRON MICROSCOPY (6 Å)
主引用文献Structure of AP205 Coat Protein Reveals Circular Permutation in ssRNA Bacteriophages.
J. Mol. Biol., 428, 2016
4XXB
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BU of 4xxb by Molmil
Crystal structure of human MDM2-RPL11
分子名称: 60S ribosomal protein L11, BETA-MERCAPTOETHANOL, E3 ubiquitin-protein ligase Mdm2, ...
著者Zheng, J, Chen, Z.
登録日2015-01-30
公開日2015-08-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of human MDM2 complexed with RPL11 reveals the molecular basis of p53 activation
Genes Dev., 29, 2015
5EHR
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BU of 5ehr by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP099
分子名称: 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
著者Stams, T, Fodor, M.
登録日2015-10-28
公開日2016-06-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Allosteric inhibition of SHP2 phosphatase inhibits cancers driven by receptor tyrosine kinases.
Nature, 535, 2016
5MXQ
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BU of 5mxq by Molmil
Crystal Structure of the Acquired VIM-2 Metallo-beta-Lactamase in Complex with ANT-90 Inhibitor
分子名称: 3-(phenylsulfonylamino)pyridine-2-carboxylic acid, ACETATE ION, Beta-lactamase VIM-2, ...
著者Docquier, J.D, De Luca, F, Benvenuti, M, Di Pisa, F, Pozzi, C, Mangani, S.
登録日2017-01-24
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献SAR Studies Leading to the Identification of a Novel Series of Metallo-beta-lactamase Inhibitors for the Treatment of Carbapenem-Resistant Enterobacteriaceae Infections That Display Efficacy in an Animal Infection Model.
Acs Infect Dis., 5, 2019
7TJ8
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BU of 7tj8 by Molmil
Cryo-EM structure of the human Nax channel in complex with beta3 solved in nanodiscs
分子名称: (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Noland, C.L, Kschonsak, M, Ciferri, C, Payandeh, J.
登録日2022-01-14
公開日2022-03-30
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure-guided unlocking of Na X reveals a non-selective tetrodotoxin-sensitive cation channel.
Nat Commun, 13, 2022
7TJ9
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BU of 7tj9 by Molmil
Cryo-EM structure of the human Nax channel in complex with beta3 solved in GDN
分子名称: (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Noland, C.L, Kschonsak, M, Ciferri, C, Payandeh, J.
登録日2022-01-14
公開日2022-03-30
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structure-guided unlocking of Na X reveals a non-selective tetrodotoxin-sensitive cation channel.
Nat Commun, 13, 2022
5MXR
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BU of 5mxr by Molmil
Crystal Structure of the Acquired VIM-2 Metallo-beta-Lactamase in Complex with ANT-330 Inhibitor
分子名称: 5-(phenylsulfonylamino)-1,3-thiazole-4-carboxylic acid, ACETATE ION, Beta-lactamase VIM-2, ...
著者Docquier, J.D, De Luca, F, Benvenuti, M, Di Pisa, F, Pozzi, C, Mangani, S.
登録日2017-01-24
公開日2018-03-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献SAR Studies Leading to the Identification of a Novel Series of Metallo-beta-lactamase Inhibitors for the Treatment of Carbapenem-Resistant Enterobacteriaceae Infections That Display Efficacy in an Animal Infection Model.
Acs Infect Dis., 5, 2019
8FP5
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BU of 8fp5 by Molmil
CDK2 liganded with ATP and Mg2+
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Cyclin-dependent kinase 2, ...
著者Schonbrunn, E, Sun, L.
登録日2023-01-04
公開日2023-05-31
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding.
Nat Commun, 14, 2023
8FP0
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BU of 8fp0 by Molmil
Ternary complex of CDK2 with small molecule ligands TW8672 and Roscovitine
分子名称: 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid, Cyclin-dependent kinase 2, ...
著者Schonbrunn, E, Sun, L.
登録日2023-01-03
公開日2023-05-31
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding.
Nat Commun, 14, 2023
5H2I
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BU of 5h2i by Molmil
A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 110 ns after photoexcitation
分子名称: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
著者Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S.
登録日2016-10-15
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
7ACU
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BU of 7acu by Molmil
Crystal structure of human transthyretin in complex with Benzbromarone
分子名称: Transthyretin, [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone
著者Leite, J.P, Gales, L.
登録日2020-09-11
公開日2020-10-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.541 Å)
主引用文献Repurposing Benzbromarone for Familial Amyloid Polyneuropathy: A New Transthyretin Tetramer Stabilizer.
Int J Mol Sci, 21, 2020
6ZXI
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BU of 6zxi by Molmil
Crystal Structure of the OXA-48 Carbapenem-Hydrolyzing Class D beta-Lactamase in Complex with the DBO inhibitor ANT3310
分子名称: 1,2-ETHANEDIOL, Beta-lactamase, CARBON DIOXIDE, ...
著者Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S.
登録日2020-07-29
公開日2021-08-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of ANT3310 , a Novel Broad-Spectrum Serine beta-Lactamase Inhibitor of the Diazabicyclooctane Class, Which Strongly Potentiates Meropenem Activity against Carbapenem-Resistant Enterobacterales and Acinetobacter baumannii.
J.Med.Chem., 63, 2020
7LT6
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BU of 7lt6 by Molmil
Structure of Partial Beta-Hairpin LIR from FNIP2 Bound to GABARAP
分子名称: Folliculin-interacting protein 2,Gamma-aminobutyric acid receptor-associated protein
著者Appleton, B.A.
登録日2021-02-18
公開日2021-10-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献GABARAP sequesters the FLCN-FNIP tumor suppressor complex to couple autophagy with lysosomal biogenesis.
Sci Adv, 7, 2021
7LSW
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BU of 7lsw by Molmil
Structure of Full Beta-Hairpin LIR from FNIP2 Bound to GABARAP
分子名称: Folliculin-interacting protein 2,Gamma-aminobutyric acid receptor-associated protein, SULFATE ION
著者Appleton, B.A.
登録日2021-02-18
公開日2021-10-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献GABARAP sequesters the FLCN-FNIP tumor suppressor complex to couple autophagy with lysosomal biogenesis.
Sci Adv, 7, 2021
8P9E
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BU of 8p9e by Molmil
Crystal structure of wild type p63-p73 heterotetramer (tetramerisation domain) in complex with darpin 1810 F11
分子名称: Darpin 1810 F11, GLYCEROL, Isoform 2 of Tumor protein 63, ...
著者Chaikuad, A, Strubel, A, Doetsch, V, Knapp, S, Structural Genomics Consortium (SGC)
登録日2023-06-05
公開日2023-11-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献DARPins detect the formation of hetero-tetramers of p63 and p73 in epithelial tissues and in squamous cell carcinoma.
Cell Death Dis, 14, 2023
6ZGM
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BU of 6zgm by Molmil
Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with the thiazolecarboxylate inhibitor ANT2681
分子名称: 5-[[4-(carbamimidamidocarbamoylamino)-3,5-bis(fluoranyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ...
著者Docquier, J.D, Pozzi, C, Marcoccia, F, De Luca, F, Benvenuti, M, Mangani, S.
登録日2020-06-19
公開日2020-09-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献ANT2681: SAR Studies Leading to the Identification of a Metallo-beta-lactamase Inhibitor with Potential for Clinical Use in Combination with Meropenem for the Treatment of Infections Caused by NDM-ProducingEnterobacteriaceae.
Acs Infect Dis., 6, 2020

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