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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.
Descriptor: (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
Authors:Bensen, D.C, Chen, Z, Tari, L.W.
Deposit date:2012-08-01
Release date:2013-02-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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.
Descriptor: CALCIUM ION, Parvalbumin beta
Authors:Moraes, A.H, Ackerbauer, D, Bublin, M, Ferreira, F, Almeida, F.C.L, Breiteneder, H, Valente, A.
Deposit date:2013-08-07
Release date:2014-08-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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
4GGL
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BU of 4ggl 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
Descriptor: 7-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)pyrido[2,3-b]pyrazin-2(1H)-one, DNA gyrase subunit B, GLYCEROL
Authors:Bensen, D.C, Creighton, C.J, Tari, L.W.
Deposit date:2012-08-06
Release date:2013-02-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.69 Å)
Cite: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
5SZW
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BU of 5szw by Molmil
NMR solution structure of the RRM1 domain of the post-transcriptional regulator HuR
Descriptor: ELAV-like protein 1
Authors:Lixa, C, Mujo, A, Jendiroba, K.A, Almeida, F.C.L, Lima, L.M.T.R, Pinheiro, A.S.
Deposit date:2016-08-15
Release date:2017-09-06
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Oligomeric transition and dynamics of RNA binding by the HuR RRM1 domain in solution.
J. Biomol. NMR, 72, 2018
7XIV
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BU of 7xiv by Molmil
Structural insight into the interactions between Lloviu virus VP30 and nucleoprotein
Descriptor: Nucleocapsid protein,Minor nucleoprotein VP30
Authors: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.
Deposit date:2022-04-14
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.498 Å)
Cite:Structural insights into the interactions between lloviu virus VP30 and nucleoprotein.
Biochem.Biophys.Res.Commun., 616, 2022
6LJA
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BU of 6lja by Molmil
Crystal Structure of exoHep from Bacteroides intestinalis DSM 17393 complexed with disaccharide product
Descriptor: 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
Authors:Zhang, Q.D, Cao, H.Y, Wei, L, Li, F.C, Zhang, Y.Z.
Deposit date:2019-12-13
Release date:2020-12-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.978 Å)
Cite: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
Descriptor: 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
Authors:Zhang, Q.D, Cao, H.Y, Wei, L, Li, F.C, Zhang, Y.Z.
Deposit date:2019-12-17
Release date:2020-12-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Discovery of exolytic heparinases and their catalytic mechanism and potential application.
Nat Commun, 12, 2021
2Q4A
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BU of 2q4a by Molmil
Ensemble refinement of the protein crystal structure of gene product from Arabidopsis thaliana At3g21360
Descriptor: Clavaminate synthase-like protein At3g21360, FE (III) ION, SULFATE ION
Authors:Levin, E.J, Kondrashov, D.A, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2007-05-31
Release date:2007-06-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Ensemble refinement of protein crystal structures: validation and application.
Structure, 15, 2007
2Q3P
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BU of 2q3p by Molmil
Ensemble refinement of the protein crystal structure of At3g17210 from Arabidopsis thaliana
Descriptor: MAGNESIUM ION, Uncharacterized protein At3g17210
Authors:Levin, E.J, Kondrashov, D.A, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2007-05-30
Release date:2007-06-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Ensemble refinement of protein crystal structures: validation and application.
Structure, 15, 2007
2JQ0
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BU of 2jq0 by Molmil
Phylloseptin-1
Descriptor: Phylloseptin-1
Authors: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.
Deposit date:2007-05-25
Release date:2008-06-03
Last modified:2023-12-20
Method:SOLUTION NMR
Cite: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
Descriptor: Phylloseptin-3
Authors: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.
Deposit date:2007-05-25
Release date:2008-06-03
Last modified:2023-12-20
Method:SOLUTION NMR
Cite: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
Descriptor: Phylloseptin-2 protein
Authors: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.
Deposit date:2007-05-24
Release date:2008-06-03
Last modified:2023-12-20
Method:SOLUTION NMR
Cite: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
Descriptor: Mite allergen Blo t 5
Authors:Naik, M.T, Chang, C, Kuo, I, Chua, K, Huang, T.
Deposit date:2006-11-12
Release date:2007-11-13
Last modified:2023-12-20
Method:SOLUTION NMR
Cite: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
Descriptor: Sugarcane defensin 5
Authors:de Paula, V.S, Almeida, F.C.L, Valente, A.
Deposit date:2010-01-06
Release date:2011-01-26
Last modified:2012-11-21
Method:SOLUTION NMR
Cite: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)
Descriptor: Major pollen allergen Art v 1
Authors:Razzera, G, Gadermaier, G, Almeida, M, Egger, M, Jahn-Schmid, B, Almeida, F, Ferreira, F, Valente, A.
Deposit date:2009-10-23
Release date:2010-10-06
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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
Descriptor: Double-stranded RNA-specific editase 1, RNA (34-MER)
Authors:Allain, F, Stefl, R, Oberstrass, F.
Deposit date:2010-09-12
Release date:2010-10-27
Last modified:2024-05-01
Method:SOLUTION NMR
Cite: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
Descriptor: RNA (42-MER)
Authors:Oberstrass, F.F, Allain, F.H.-T, Stefl, R.
Deposit date:2010-08-20
Release date:2010-10-27
Last modified:2024-05-01
Method:SOLUTION NMR
Cite: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
Descriptor: Rho GTPase-activating protein 7, Tensin-like C1 domain-containing phosphatase
Authors:Liu, C, Chen, L, Zhu, G.
Deposit date:2012-01-29
Release date:2012-06-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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
Descriptor: Beta-defensin 106
Authors:de Paula, V.S, Gomes, N.S.F, Lima, L.G, Miyamoto, C.A, Monteiro, R.Q, Almeida, F.C.L, Valente, A.
Deposit date:2012-08-02
Release date:2013-08-21
Last modified:2013-11-13
Method:SOLUTION NMR
Cite: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
Descriptor: E3 ubiquitin-protein ligase SHPRH, ZINC ION
Authors:Machado, L.E.S.F, Pustovalova, Y, Pozhidaeva, A, Almeida, F.C.L, Bezsonova, I, Korzhnev, D.M.
Deposit date:2013-05-07
Release date:2013-08-14
Last modified:2024-05-01
Method:SOLUTION NMR
Cite: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
Descriptor: Thioredoxin-1
Authors:Iqbal, A, Moraes, A.H, Valente, A.P, Almeida, F.C.L.
Deposit date:2015-07-13
Release date:2015-10-28
Last modified:2024-05-01
Method:SOLUTION NMR
Cite: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
Descriptor: poneritoxin
Authors:Chin, Y.K.-Y, Touchard, A, King, G.F.
Deposit date:2016-02-03
Release date:2017-01-11
Method:SOLUTION NMR
Cite:Isolation and characterization of a structurally unique beta-hairpin venom peptide from the predatory ant Anochetus emarginatus.
Biochim.Biophys.Acta, 1860, 2016
2N54
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BU of 2n54 by Molmil
Solution structure of a disulfide stabilized XCL1 dimer
Descriptor: Lymphotactin
Authors:Tyler, R.C, Tuinstra, R.L, Peterson, F.F, Volkman, B.F.
Deposit date:2015-07-07
Release date:2015-10-07
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Engineering Metamorphic Chemokine Lymphotactin/XCL1 into the GAG-Binding, HIV-Inhibitory Dimer Conformation.
Acs Chem.Biol., 10, 2015
2MXM
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BU of 2mxm by Molmil
NMR solution structure of TRTX-Tp1a from the tarantula Thrixopelma pruriens
Descriptor: entity
Authors:Rosengren, K.
Deposit date:2015-01-08
Release date:2015-06-03
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Identification and Characterization of ProTx-III [ mu-TRTX-Tp1a], a New Voltage-Gated Sodium Channel Inhibitor from Venom of the Tarantula Thrixopelma pruriens.
Mol.Pharmacol., 88, 2015
2N5B
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BU of 2n5b by Molmil
Structures of the OXIDIZED state of the mutant D24A of yeast thioredoxin 1
Descriptor: Thioredoxin-1
Authors:Iqbal, A, Moraes, A.H, Valente, A.P, Almeida, F.C.L.
Deposit date:2015-07-13
Release date:2015-10-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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

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