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6UAS
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BU of 6uas by Molmil
Crystal structure of a GH128 (subgroup I) endo-beta-1,3-glucanase (E199A mutant) from Amycolatopsis mediterranei (AmGH128_I) in complex with laminaripentaose
Descriptor: DI(HYDROXYETHYL)ETHER, Glycoside Hydrolase, ZINC ION, ...
Authors:Vieira, P.S, Cabral, L, Costa, P.A.C.R, Santos, C.R, Murakami, M.T.
Deposit date:2019-09-11
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family.
Nat.Chem.Biol., 16, 2020
7A06
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BU of 7a06 by Molmil
Structure of human CKa1 in complex with compound o
Descriptor: 1,2-ETHANEDIOL, 1-[(4-phenylphenyl)methyl]-4-pyrrolidin-1-yl-pyridine, Choline kinase alpha
Authors:Serran-Aguilera, L, Mariotto, E, Rubbini, G, Castro Navas, F.C, Marco, C, Carrasco-Jimenez, M.P, Ballarotto, M, Macchiarulo, A, Hurtado-Guerrero, R, Viola, G, Lopez-Cara, L.C.
Deposit date:2020-08-06
Release date:2020-09-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Synthesis, biological evaluation, in silico modeling and crystallization of novel small monocationic molecules with potent antiproliferative activity by dual mechanism.
Eur.J.Med.Chem., 207, 2020
7A04
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BU of 7a04 by Molmil
Structure of human CKa1 in complex with compound b
Descriptor: 1,2-ETHANEDIOL, 1-(phenylmethyl)-4-pyrrolidin-1-yl-pyridin-1-ium, Choline kinase alpha
Authors:Serran-Aguilera, L, Mariotto, E, Rubbini, G, Castro Navas, F.C, Marco, C, Carrasco-Jimenez, M.P, Ballarotto, M, Macchiarulo, A, Hurtado-Guerrero, R, Viola, G, Lopez-Cara, L.C.
Deposit date:2020-08-06
Release date:2020-09-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Synthesis, biological evaluation, in silico modeling and crystallization of novel small monocationic molecules with potent antiproliferative activity by dual mechanism.
Eur.J.Med.Chem., 207, 2020
6JEP
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BU of 6jep by Molmil
Structure of a neutralizing antibody bound to the Zika envelope protein domain III
Descriptor: Genome polyprotein, heavy chain of Fab ZK2B10, light chain of Fab ZK2B10
Authors: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.
Deposit date:2019-02-07
Release date:2019-05-15
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (2.316 Å)
Cite:Structural Basis for Neutralization and Protection by a Zika Virus-Specific Human Antibody.
Cell Rep, 26, 2019
6JFI
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BU of 6jfi by Molmil
The symmetric-reconstructed cryo-EM structure of Zika virus-FabZK2B10 complex
Descriptor: FabZK2B10 heavy chain, FabZK2B10 light chain, ZIKV structural protein E, ...
Authors: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.
Deposit date:2019-02-08
Release date:2019-04-10
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (11 Å)
Cite: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
Descriptor: FabZK2B10 heavy chain, FabZK2B10 light chain, ZIKV structural E protein, ...
Authors: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.
Deposit date:2019-02-08
Release date:2019-04-10
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (20 Å)
Cite:Structural Basis for Neutralization and Protection by a Zika Virus-Specific Human Antibody.
Cell Rep, 26, 2019
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
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
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
2Q20
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BU of 2q20 by Molmil
Structure of the germline Vk1 O18/O8 light chain variable domain homodimer
Descriptor: Vk1 O18/O8 germline light chain variable domain
Authors:Thompson, J.R, Ramirez-Alvarado, M, Baden, E.M.
Deposit date:2007-05-25
Release date:2008-04-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Altered dimer interface decreases stability in an amyloidogenic protein.
J.Biol.Chem., 283, 2008
2Q1E
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BU of 2q1e by Molmil
Altered dimer interface decreases stability in an amyloidogenic kappa1 Bence Jones protein.
Descriptor: Amyloidogenic immunoglobulin light chain protein AL-09, SULFATE ION
Authors:Thompson, J.R, Ramirez-Alvarado, M, Baden, E.M.
Deposit date:2007-05-24
Release date:2008-04-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Altered dimer interface decreases stability in an amyloidogenic protein.
J.Biol.Chem., 283, 2008
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
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
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
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
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
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
Descriptor: Glycoprotein B, SODIUM ION
Authors:Heldwein, E.E.
Deposit date:2006-05-01
Release date:2006-07-25
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of glycoprotein B from herpes simplex virus 1.
Science, 313, 2006
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

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