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4GFN
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BU of 4gfn by Molmil
Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic
分子名称: (1R,5S,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine, DNA gyrase subunit B, GLYCEROL
著者Bensen, D.C, Trzoss, M, Tari, L.W.
登録日2012-08-03
公開日2013-02-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
4GEE
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BU of 4gee by Molmil
Pyrrolopyrimidine inhibitors of DNA gyrase B and topoisomerase IV, part I: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
分子名称: (1R,5S,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine, DNA gyrase subunit B, GLYCEROL
著者Bensen, D.C, Chen, Z, Tari, L.W.
登録日2012-08-01
公開日2013-02-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
2MBX
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BU of 2mbx by Molmil
Structure, dynamics and stability of allergen cod parvalbumin Gad m 1 by solution and high-pressure NMR.
分子名称: CALCIUM ION, Parvalbumin beta
著者Moraes, A.H, Ackerbauer, D, Bublin, M, Ferreira, F, Almeida, F.C.L, Breiteneder, H, Valente, A.
登録日2013-08-07
公開日2014-08-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution and high-pressure NMR studies of the structure, dynamics, and stability of the cross-reactive allergenic cod parvalbumin Gad m 1.
Proteins, 82, 2014
7XIV
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BU of 7xiv by Molmil
Structural insight into the interactions between Lloviu virus VP30 and nucleoprotein
分子名称: Nucleocapsid protein,Minor nucleoprotein VP30
著者Dong, S.S, Qin, X.C, Sun, W.Y, Luan, F.C, Wang, J.J, Ma, L, Li, X.X, Yang, G.X, Hao, C.Y.
登録日2022-04-14
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.498 Å)
主引用文献Structural insights into the interactions between lloviu virus VP30 and nucleoprotein.
Biochem.Biophys.Res.Commun., 616, 2022
6JFI
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BU of 6jfi by Molmil
The symmetric-reconstructed cryo-EM structure of Zika virus-FabZK2B10 complex
分子名称: FabZK2B10 heavy chain, FabZK2B10 light chain, ZIKV structural protein E, ...
著者Wang, L, Wang, R.K, Wang, L, Ben, H.J, Yu, L, Gao, F, Shi, X.L, Yin, C.B, Zhang, F.C, Xiang, Y, Zhang, L.Q.
登録日2019-02-08
公開日2019-04-10
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (11 Å)
主引用文献Structural Basis for Neutralization and Protection by a Zika Virus-Specific Human Antibody.
Cell Rep, 26, 2019
6JFH
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BU of 6jfh by Molmil
The asymmetric-reconstructed cryo-EM structure of Zika virus-FabZK2B10 complex
分子名称: FabZK2B10 heavy chain, FabZK2B10 light chain, ZIKV structural E protein, ...
著者Wang, L, Wang, R.K, Wang, L, Ben, H.J, Yu, L, Gao, F, Shi, X.L, Yin, C.B, Zhang, F.C, Xiang, Y, Zhang, L.Q.
登録日2019-02-08
公開日2019-04-10
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (20 Å)
主引用文献Structural Basis for Neutralization and Protection by a Zika Virus-Specific Human Antibody.
Cell Rep, 26, 2019
6JEP
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BU of 6jep by Molmil
Structure of a neutralizing antibody bound to the Zika envelope protein domain III
分子名称: Genome polyprotein, heavy chain of Fab ZK2B10, light chain of Fab ZK2B10
著者Wang, L, Wang, R.K, Wang, L, Ben, H.J, Yu, L, Gao, F, Shi, X.L, Yin, C.B, Zhang, F.C, Xiang, Y, Zhang, L.Q.
登録日2019-02-07
公開日2019-05-15
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (2.316 Å)
主引用文献Structural Basis for Neutralization and Protection by a Zika Virus-Specific Human Antibody.
Cell Rep, 26, 2019
6LJA
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BU of 6lja by Molmil
Crystal Structure of exoHep from Bacteroides intestinalis DSM 17393 complexed with disaccharide product
分子名称: 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, CALCIUM ION, Heparinase II/III-like protein
著者Zhang, Q.D, Cao, H.Y, Wei, L, Li, F.C, Zhang, Y.Z.
登録日2019-12-13
公開日2020-12-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.978 Å)
主引用文献Discovery of exolytic heparinases and their catalytic mechanism and potential application.
Nat Commun, 12, 2021
6LJL
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BU of 6ljl by Molmil
Crystal Structure of exoHep-Y390A/H555A complexed with a tetrasaccharide substrate
分子名称: 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, CALCIUM ION, Heparinase II/III-like protein
著者Zhang, Q.D, Cao, H.Y, Wei, L, Li, F.C, Zhang, Y.Z.
登録日2019-12-17
公開日2020-12-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Discovery of exolytic heparinases and their catalytic mechanism and potential application.
Nat Commun, 12, 2021
2GUM
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BU of 2gum by Molmil
Crystal structure of the extracellular domain of glycoprotein B from Herpes Simplex Virus type I
分子名称: Glycoprotein B, SODIUM ION
著者Heldwein, E.E.
登録日2006-05-01
公開日2006-07-25
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of glycoprotein B from herpes simplex virus 1.
Science, 313, 2006
2JQ0
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BU of 2jq0 by Molmil
Phylloseptin-1
分子名称: Phylloseptin-1
著者Resende, J.M, Mendonca Moraes, C, Almeida, F.C.L, Prates, M.V, Cesar, A, Valente, A, Bemquerer, M.P, Pilo-Veloso, D, Bechinger, B.
登録日2007-05-25
公開日2008-06-03
最終更新日2023-12-20
実験手法SOLUTION NMR
主引用文献Solution NMR structures of the antimicrobial peptides phylloseptin-1, -2, and -3 and biological activity: The role of charges and hydrogen bonding interactions in stabilizing helix conformations
Peptides, 29, 2008
2JQ1
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BU of 2jq1 by Molmil
Phylloseptin-3
分子名称: Phylloseptin-3
著者Resende, J.M, Mendonca Moraes, C, Almeida, F.C.L, Prates, M.V, Cesar, A, Valente, A, Bemquerer, M.P, Pilo-Veloso, D, Bechinger, B.
登録日2007-05-25
公開日2008-06-03
最終更新日2023-12-20
実験手法SOLUTION NMR
主引用文献Solution NMR structures of the antimicrobial peptides phylloseptin-1, -2, and -3 and biological activity: The role of charges and hydrogen bonding interactions in stabilizing helix conformations
Peptides, 29, 2008
2JPY
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BU of 2jpy by Molmil
Phylloseptin-2
分子名称: Phylloseptin-2 protein
著者Resende, J.M, Mendonca Moraes, C, Almeida, F.C.L, Prates, M.V, Cesar, A, Valente, A, Bemquerer, M.P, Pilo-Veloso, D, Bechinger, B.
登録日2007-05-24
公開日2008-06-03
最終更新日2023-12-20
実験手法SOLUTION NMR
主引用文献Solution NMR structures of the antimicrobial peptides phylloseptin-1, -2, and -3 and biological activity: The role of charges and hydrogen bonding interactions in stabilizing helix conformations
Peptides, 29, 2008
2JMH
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BU of 2jmh by Molmil
NMR solution structure of Blo t 5, a major mite allergen from Blomia tropicalis
分子名称: Mite allergen Blo t 5
著者Naik, M.T, Chang, C, Kuo, I, Chua, K, Huang, T.
登録日2006-11-12
公開日2007-11-13
最終更新日2023-12-20
実験手法SOLUTION NMR
主引用文献Roles of Structure and Structural Dynamics in the Antibody Recognition of the Allergen Proteins: An NMR Study on Blomia tropicalis Major Allergen
Structure, 16, 2008
2KSK
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BU of 2ksk by Molmil
Solution Structure of Sugarcane defensin 5
分子名称: Sugarcane defensin 5
著者de Paula, V.S, Almeida, F.C.L, Valente, A.
登録日2010-01-06
公開日2011-01-26
最終更新日2012-11-21
実験手法SOLUTION NMR
主引用文献Portrayal of Complex Dynamic Properties of Sugarcane Defensin 5 by NMR: Multiple Motions Associated with Membrane Interaction.
Structure, 19, 2011
2KPY
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BU of 2kpy by Molmil
Solution Structure of the major allergen of Artemisia vulgaris (Art v 1)
分子名称: Major pollen allergen Art v 1
著者Razzera, G, Gadermaier, G, Almeida, M, Egger, M, Jahn-Schmid, B, Almeida, F, Ferreira, F, Valente, A.
登録日2009-10-23
公開日2010-10-06
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Mapping the interactions between a major pollen allergen and human IgE antibodies.
Structure, 18, 2010
2L3C
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BU of 2l3c by Molmil
Solution structure of ADAR2 dsRBM1 bound to LSL RNA
分子名称: Double-stranded RNA-specific editase 1, RNA (34-MER)
著者Allain, F, Stefl, R, Oberstrass, F.
登録日2010-09-12
公開日2010-10-27
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献The Solution Structure of the ADAR2 dsRBM-RNA Complex Reveals a Sequence-Specific Readout of the Minor Groove.
Cell(Cambridge,Mass.), 143, 2010
2L2J
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BU of 2l2j by Molmil
Solution NMR structure of the lower part of the R/G stem loop RNA
分子名称: RNA (42-MER)
著者Oberstrass, F.F, Allain, F.H.-T, Stefl, R.
登録日2010-08-20
公開日2010-10-27
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献The Solution Structure of the ADAR2 dsRBM-RNA Complex Reveals a Sequence-Specific Readout of the Minor Groove.
Cell(Cambridge,Mass.), 143, 2010
2LOZ
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BU of 2loz by Molmil
The novel binding mode of DLC1 and Tensin2 PTB domain
分子名称: Rho GTPase-activating protein 7, Tensin-like C1 domain-containing phosphatase
著者Liu, C, Chen, L, Zhu, G.
登録日2012-01-29
公開日2012-06-06
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of the phosphotyrosine binding (PTB) domain of human tensin2 protein in complex with deleted in liver cancer 1 (DLC1) peptide reveals a novel peptide binding mode.
J.Biol.Chem., 287, 2012
2LWL
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BU of 2lwl by Molmil
Structural Basis for the Interaction of Human β-Defensin 6 and Its Putative Chemokine Receptor CCR2 and Breast Cancer Microvesicles
分子名称: Beta-defensin 106
著者de Paula, V.S, Gomes, N.S.F, Lima, L.G, Miyamoto, C.A, Monteiro, R.Q, Almeida, F.C.L, Valente, A.
登録日2012-08-02
公開日2013-08-21
最終更新日2013-11-13
実験手法SOLUTION NMR
主引用文献Structural Basis for the Interaction of Human beta-Defensin 6 and Its Putative Chemokine Receptor CCR2 and Breast Cancer Microvesicles.
J.Mol.Biol., 425, 2013
2M85
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BU of 2m85 by Molmil
PHD Domain from Human SHPRH
分子名称: E3 ubiquitin-protein ligase SHPRH, ZINC ION
著者Machado, L.E.S.F, Pustovalova, Y, Pozhidaeva, A, Almeida, F.C.L, Bezsonova, I, Korzhnev, D.M.
登録日2013-05-07
公開日2013-08-14
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献PHD domain from human SHPRH.
J.Biomol.Nmr, 56, 2013
2N5A
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BU of 2n5a by Molmil
Structures of the REDUCED state of the mutant D24A of yeast thioredoxin 1
分子名称: Thioredoxin-1
著者Iqbal, A, Moraes, A.H, Valente, A.P, Almeida, F.C.L.
登録日2015-07-13
公開日2015-10-28
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structures of the reduced and oxidized state of the mutant D24A of yeast thioredoxin 1: insights into the mechanism for the closing of the water cavity.
J.Biomol.Nmr, 63, 2015
2NBC
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BU of 2nbc by Molmil
Resonance assignments and structure determination of poneritoxin, omega-PONTX-Ae1a, from Anochetus emarginatus
分子名称: poneritoxin
著者Chin, Y.K.-Y, Touchard, A, King, G.F.
登録日2016-02-03
公開日2017-01-11
実験手法SOLUTION NMR
主引用文献Isolation and characterization of a structurally unique beta-hairpin venom peptide from the predatory ant Anochetus emarginatus.
Biochim.Biophys.Acta, 1860, 2016
1TAU
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BU of 1tau by Molmil
TAQ POLYMERASE (E.C.2.7.7.7)/DNA/B-OCTYLGLUCOSIDE COMPLEX
分子名称: 2-O-octyl-beta-D-glucopyranose, DNA (5'-D(*CP*GP*GP*AP*TP*CP*GP*C)-3'), DNA (5'-D(*GP*CP*GP*AP*TP*CP*CP*G)-3'), ...
著者Eom, S.H, Wang, J, Steitz, T.A.
登録日1996-06-17
公開日1997-04-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of Taq ploymerase with DNA at the polymerase active site.
Nature, 382, 1996
1T1K
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BU of 1t1k by Molmil
NMR STRUCTURE OF HUMAN INSULIN MUTANT HIS-B10-ASP, VAL-B12-ALA, PRO-B28-LYS, LYS-B29-PRO, 15 STRUCTURES
分子名称: Insulin
著者Huang, K, Xu, B, Hu, S.Q, Chu, Y.C, Hua, Q.X, Whittaker, J, Nakagawa, S.H, De Meyts, P, Katsoyannis, P.G, Weiss, M.A.
登録日2004-04-16
公開日2004-08-10
最終更新日2021-10-27
実験手法SOLUTION NMR
主引用文献How Insulin Binds: the B-Chain alpha-Helix Contacts the L1 beta-Helix of the Insulin Receptor.
J.Mol.Biol., 341, 2004

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