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7N26
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BU of 7n26 by Molmil
NMR structure of EpI-[Y(SO3)15Y]-NH2
分子名称: Alpha-conotoxin EpI
著者Conibear, A.C, Rosengren, K.J, Lee, H.S.
登録日2021-05-28
公開日2021-11-17
実験手法SOLUTION NMR
主引用文献Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
6UYF
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BU of 6uyf by Molmil
Structure of Hepatitis C Virus Envelope Glycoprotein E2mc3-v1 redesigned core from genotype 6a bound to broadly neutralizing antibody AR3B
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 E2, ...
著者Tzarum, N, Wilson, I.A, Zhu, J.
登録日2019-11-13
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Proof of concept for rational design of hepatitis C virus E2 core nanoparticle vaccines.
Sci Adv, 6, 2020
6UYM
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BU of 6uym by Molmil
Structure of Hepatitis C Virus Envelope Glycoprotein E2mc3-v6 redesigned core from genotype 1a bound to broadly neutralizing antibody AR3C
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 E2, ...
著者Tzarum, N, Wilson, I.A, Zhu, J.
登録日2019-11-13
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.848 Å)
主引用文献Proof of concept for rational design of hepatitis C virus E2 core nanoparticle vaccines.
Sci Adv, 6, 2020
6UYG
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BU of 6uyg by Molmil
Structure of Hepatitis C Virus Envelope Glycoprotein E2c3 core from genotype 6a bound to broadly neutralizing antibody AR3A and non neutralizing antibody E1
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 E2, ...
著者Tzarum, N, Wilson, I.A, Zhu, J.
登録日2019-11-13
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.375 Å)
主引用文献Proof of concept for rational design of hepatitis C virus E2 core nanoparticle vaccines.
Sci Adv, 6, 2020
7N21
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BU of 7n21 by Molmil
NMR structure of AnIB-OH
分子名称: Alpha-conotoxin AnIB
著者Conibear, A.C, Rosengren, K.J, Lee, H.S.
登録日2021-05-28
公開日2021-11-17
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
7N23
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BU of 7n23 by Molmil
NMR structure of AnIB[Y(SO3)16Y]-OH
分子名称: Alpha-conotoxin AnIB
著者Conibear, A.C, Rosengren, K.J, Lee, H.S.
登録日2021-05-28
公開日2021-11-10
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
7N22
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BU of 7n22 by Molmil
NMR structure of AnIB[Y(SO3)16Y]-NH2
分子名称: Alpha-conotoxin AnIB
著者Conibear, A.C, Rosengren, K.J, Lee, H.S.
登録日2021-05-28
公開日2021-11-17
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
7N0T
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BU of 7n0t by Molmil
NMR structure of EpI[Y(SO)315Y]-OH
分子名称: Alpha-conotoxin EpI
著者Conibear, A.C, Rosengren, K.J, Lee, H.S.
登録日2021-05-26
公開日2021-11-10
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
7N20
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BU of 7n20 by Molmil
NMR structure of native AnIB
分子名称: Alpha-conotoxin AnIB
著者Conibear, A.C, Rosengren, K.J, Lee, H.S.
登録日2021-05-28
公開日2021-11-17
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
6V98
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BU of 6v98 by Molmil
Crystal structure of Type VI secretion system effector, TseH (VCA0285)
分子名称: CALCIUM ION, Cysteine hydrolase
著者Watanabe, N, Hersch, S.J, Dong, T.G, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-12-13
公開日2020-01-15
最終更新日2020-05-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Envelope stress responses defend against type six secretion system attacks independently of immunity proteins.
Nat Microbiol, 5, 2020
6X2W
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BU of 6x2w by Molmil
Crystal Structure of PKINES peptide bound to CRM1(E571K)
分子名称: Exportin-1, GLYCEROL, GTP-binding nuclear protein Ran, ...
著者Baumhardt, J.M.
登録日2020-05-21
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.001 Å)
主引用文献Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation.
Mol.Biol.Cell, 31, 2020
6X2U
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BU of 6x2u by Molmil
Crystal Structure of PKINES peptide bound to CRM1
分子名称: Exportin-1, GLYCEROL, GTP-binding nuclear protein Ran, ...
著者Baumhardt, J.M.
登録日2020-05-21
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation.
Mol.Biol.Cell, 31, 2020
4YND
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BU of 4ynd by Molmil
The Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2
分子名称: N-cyclohexyl-N~3~-[2-(3,4-dichlorophenyl)ethyl]-N-(2-{[(2R)-2-hydroxy-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-beta-alaninamide, N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ...
著者Sweis, R.F, Wang, Z, Algire, M, Arrowsmith, C.H, Brown, P.J, Chiang, G.C, Guo, J, Jakob, C.G, Kennedy, S, Li, F, Soni, N.B, Vedadi, M, Pappano, W.N.
登録日2015-03-09
公開日2015-05-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2.
Acs Med.Chem.Lett., 6, 2015
6HF5
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BU of 6hf5 by Molmil
Crystal Structure of the Acquired VIM-2 Metallo-beta-Lactamase in Complex with ANT-431 Inhibitor
分子名称: 5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid, ACETATE ION, Beta-lactamase class B VIM-2, ...
著者Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S.
登録日2018-08-21
公開日2018-12-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 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
6HAZ
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BU of 6haz by Molmil
Crystal structure of the bromodomain of human SMARCA2 in complex with SMARCA-BD ligand
分子名称: 2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol, Probable global transcription activator SNF2L2, ZINC ION
著者Bader, G, Steurer, S, Weiss-Puxbaum, A, Zoephel, A, Roy, M, Ciulli, A.
登録日2018-08-09
公開日2019-06-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design.
Nat.Chem.Biol., 15, 2019
6HAX
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BU of 6hax by Molmil
Crystal structure of PROTAC 2 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB
分子名称: (2~{S},4~{R})-~{N}-[[2-[2-[4-[[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenyl]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Roy, M, Bader, G, Diers, E, Trainor, N, Farnaby, W, Ciulli, A.
登録日2018-08-09
公開日2019-06-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design.
Nat.Chem.Biol., 15, 2019
6HR2
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BU of 6hr2 by Molmil
Crystal structure of PROTAC 2 in complex with the bromodomain of human SMARCA4 and pVHL:ElonginC:ElonginB
分子名称: (2~{S},4~{R})-~{N}-[[2-[2-[4-[[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenyl]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
著者Roy, M, Bader, G, Diers, E, Trainor, N, Farnaby, W, Ciulli, A.
登録日2018-09-26
公開日2019-06-12
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design.
Nat.Chem.Biol., 15, 2019
6HAY
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BU of 6hay by Molmil
Crystal structure of PROTAC 1 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB
分子名称: (2~{S},4~{R})-~{N}-[[2-[2-[2-[2-[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Roy, M, Bader, G, Diers, E, Trainor, N, Farnaby, W, Ciulli, A.
登録日2018-08-09
公開日2019-06-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design.
Nat.Chem.Biol., 15, 2019
400D
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BU of 400d by Molmil
THE INTRINSIC STRUCTURE AND STABILITY OF OUT-OF-ALTERNATION BASE PAIRS IN Z-DNA
分子名称: DNA (5'-D(*(5CM)P*GP*GP*CP*(5CM)P*G)-3')
著者Eichman, B.F, Basham, B, Schroth, G.P, Ho, P.S.
登録日1998-05-28
公開日1998-07-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The intrinsic structure and stability of out-of-alternation base pairs in Z-DNA.
Nucleic Acids Res., 27, 1999
5IA7
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BU of 5ia7 by Molmil
Crystal structure of Ubiquitin fold modifier 1 (Ufm1)
分子名称: Ubiquitin-fold modifier 1
著者Padala, P, Oweis, W, Wiener, R.
登録日2016-02-21
公開日2017-03-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Novel insights into the interaction of UBA5 with UFM1 via a UFM1-interacting sequence.
Sci Rep, 7, 2017
6X2P
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BU of 6x2p by Molmil
Crystal Structure of the Mek1NES peptide bound to CRM1
分子名称: Dual specificity mitogen-activated protein kinase kinase 1, Exportin-1, GLYCEROL, ...
著者Baumhardt, J.M.
登録日2020-05-20
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation.
Mol.Biol.Cell, 31, 2020
6X2V
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BU of 6x2v by Molmil
Crystal Structure of PKI(DE)NES peptide bound to CRM1
分子名称: Exportin-1, GLYCEROL, GTP-binding nuclear protein Ran, ...
著者Baumhardt, J.M.
登録日2020-05-21
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.822 Å)
主引用文献Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation.
Mol.Biol.Cell, 31, 2020
6X2O
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BU of 6x2o by Molmil
Crystal Structure of unliganded CRM1(E571K)-Ran-RanBP1
分子名称: Exportin-1, GTP-binding nuclear protein Ran, MAGNESIUM ION, ...
著者Baumhardt, J.M.
登録日2020-05-20
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.551 Å)
主引用文献Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation.
Mol.Biol.Cell, 31, 2020
6X2X
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BU of 6x2x by Molmil
Crystal Structure of Mek1NES peptide bound to CRM1(E571K)
分子名称: Dual specificity mitogen-activated protein kinase kinase 1, Exportin-1, GLYCEROL, ...
著者Baumhardt, J.M.
登録日2020-05-21
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.458 Å)
主引用文献Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation.
Mol.Biol.Cell, 31, 2020
6X2R
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BU of 6x2r by Molmil
Crystal Structure of the 4E-TNES peptide bound to CRM1
分子名称: Eukaryotic translation initiation factor 4E transporter, Exportin-1, GLYCEROL, ...
著者Baumhardt, J.M.
登録日2020-05-20
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.299 Å)
主引用文献Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation.
Mol.Biol.Cell, 31, 2020

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