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2Y8C
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BU of 2y8c by Molmil
Plasmodium falciparum dUTPase in complex with a trityl ligand
Descriptor: (2S)-2-[(2,4-dioxopyrimidin-1-yl)methyl]-N-(2-hydroxyethyl)-4-trityloxy-butanamide, DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE, SULFATE ION
Authors:Baragana, B, McCarthy, O, Sanchez, P, Bosch, C, Kaiser, M, Brun, R, Whittingham, J.L, Roberts, S, Zhou, X.-X, Wilson, K.S, Johansson, N.G, Gonzalez-Pacanowska, D, Gilbert, I.H.
Deposit date:2011-02-04
Release date:2012-03-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Beta-Branched Acyclic Nucleoside Analogues as Inhibitors of Plasmodium Falciparum Dutpase
Bioorg.Med.Chem., 19, 2011
8SPK
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BU of 8spk by Molmil
Crystal structure of Antarctic PET-degrading enzyme
Descriptor: Lipase 1, MALONATE ION
Authors:Furtado, A.A, Blazquez-Sanchez, P, Grinen, A, Vargas, J.A, Leonardo, D.A, Sculaccio, S.A, Pereira, H.M, Diez, B, Garratt, R.C, Ramirez-Sarmiento, C.A.
Deposit date:2023-05-03
Release date:2023-08-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Engineering the catalytic activity of an Antarctic PET-degrading enzyme by loop exchange.
Protein Sci., 32, 2023
8F4X
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BU of 8f4x by Molmil
Top-down design of protein architectures with reinforcement learning
Descriptor: RC_I_1-H11
Authors:Borst, A.J, Baker, D.
Deposit date:2022-11-11
Release date:2023-05-10
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Top-down design of protein architectures with reinforcement learning.
Science, 380, 2023
8F53
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BU of 8f53 by Molmil
Top-down design of protein architectures with reinforcement learning
Descriptor: RC_I_2
Authors:Borst, A.J, Baker, D.
Deposit date:2022-11-11
Release date:2023-05-10
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Top-down design of protein architectures with reinforcement learning.
Science, 380, 2023
8F54
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BU of 8f54 by Molmil
Top-down design of protein architectures with reinforcement learning
Descriptor: RC_I_1
Authors:Borst, A.J, Baker, D.
Deposit date:2022-11-11
Release date:2023-05-10
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Top-down design of protein architectures with reinforcement learning.
Science, 380, 2023
7NEI
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BU of 7nei by Molmil
Polyester Hydrolase Leipzig 7 (PHL7) in the unliganded state
Descriptor: Polyester Hydrolase Leipzig 7 (PHL-7), SODIUM ION
Authors:Richter, P.K, Strater, N.
Deposit date:2021-02-04
Release date:2021-06-23
Last modified:2022-11-23
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Low Carbon Footprint Recycling of Post-Consumer PET Plastic with a Metagenomic Polyester Hydrolase.
ChemSusChem, 15, 2022
4MPI
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BU of 4mpi by Molmil
Crystal structure of the chitin-binding module (CBM18) of a chitinase-like protein from Hevea brasiliensis
Descriptor: 1,4-DIETHYLENE DIOXIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Class I chitinase
Authors:Martinez-Caballero, C.S, Hermoso, J.A, Rodriguez-Romero, A.
Deposit date:2013-09-12
Release date:2014-08-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:Comparative study of two GH19 chitinase-like proteins from Hevea brasiliensis, one exhibiting a novel carbohydrate-binding domain.
Febs J., 281, 2014
4MST
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BU of 4mst by Molmil
Crystal Structure of a putative catalytic domain of a chitinase-like protein (HbCLP1) from Hevea brasiliensis
Descriptor: CHLORIDE ION, class I chitinase
Authors:Martinez-Caballero, S, Hermoso, J.A, Rodriguez-Romero, A.
Deposit date:2013-09-18
Release date:2014-08-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.927 Å)
Cite:Comparative study of two GH19 chitinase-like proteins from Hevea brasiliensis, one exhibiting a novel carbohydrate-binding domain.
Febs J., 281, 2014
8BRB
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BU of 8brb by Molmil
Polyester Hydrolase Leipzig 7 (PHL7) bound to terephthalic acid (TPA)
Descriptor: DIMETHYL SULFOXIDE, Polyester Hydrolase Leipzig 7 (PHL-7), catalysis-deficient S131A mutant, ...
Authors:Richter, P.K, Strater, N.
Deposit date:2022-11-22
Release date:2023-04-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and function of the metagenomic plastic-degrading polyester hydrolase PHL7 bound to its product.
Nat Commun, 14, 2023
8BRA
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BU of 8bra by Molmil
Polyester Hydrolase Leipzig 7 (PHL7) bound to terephthalic acid (TPA) and Mg2+
Descriptor: MAGNESIUM ION, Polyester Hydrolase Leipzig 7 (PHL-7), catalysis-deficient S131A mutant, ...
Authors:Richter, P.K, Strater, N.
Deposit date:2022-11-22
Release date:2023-04-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and function of the metagenomic plastic-degrading polyester hydrolase PHL7 bound to its product.
Nat Commun, 14, 2023
5VBK
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BU of 5vbk by Molmil
Crystal structure of a galactose-binding Lectin from Mytilus californianus
Descriptor: GLYCEROL, Lectin
Authors:Hernandez-Santoyo, A, Garcia-Maldonado, E.
Deposit date:2017-03-29
Release date:2017-06-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.788 Å)
Cite:Molecular and functional characterization of a glycosylated Galactose-Binding lectin from Mytilus californianus.
Fish Shellfish Immunol., 66, 2017
2KY3
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BU of 2ky3 by Molmil
Solution structure of GS-alfa-Ktx5.4 synthetic scorpion like
Descriptor: Potassium channel toxin alpha-KTx 5.4
Authors:Del Rio-Portilla, F, Ramirez-Cordero, B.E, Brieba-De Castro, L.
Deposit date:2010-05-14
Release date:2011-06-01
Last modified:2020-02-05
Method:SOLUTION NMR
Cite:Cytotoxicity of recombinant tamapin and related toxin-like peptides on model cell lines.
Chem.Res.Toxicol., 27, 2014
7M1E
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BU of 7m1e by Molmil
Structural and functional studies about scorpine showed the presence of blocking channel and cytolytic activities as well as two different structural domains
Descriptor: Scorpine
Authors:del Rio, J.F, Lopez, A.E, Titaux, G.
Deposit date:2021-03-12
Release date:2022-01-19
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural and functional studies of scorpine: A channel blocker and cytolytic peptide.
Toxicon, 222, 2022
7M1D
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BU of 7m1d by Molmil
Structural and functional studies about scorpine showed the presence of blocking channel and cytolytic activities as well as two different structural domains
Descriptor: Scorpine
Authors:del Rio-Portilla, F, Lopez-Giraldo, A.E.
Deposit date:2021-03-12
Release date:2022-01-19
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural and functional studies of scorpine: A channel blocker and cytolytic peptide.
Toxicon, 222, 2022
6AX2
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BU of 6ax2 by Molmil
Solution structure of Magi3 a specific insect toxin from the spider Macrothele gigas
Descriptor: Mu-hexatoxin-Mg2a
Authors:del Rio-Portilla, F, Titaux-Delgado, G.A, Escobedo-Gonzalez, F.C.
Deposit date:2017-09-06
Release date:2018-01-10
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Successful refolding and NMR structure of rMagi3: A disulfide-rich insecticidal spider toxin.
Protein Sci., 27, 2018
6BB6
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BU of 6bb6 by Molmil
NMR solution structure of Defensin1 from Centruroides limpidus limpidus
Descriptor: Defensin-1
Authors:Escobedo-Gonzalez, F.C, del Rio-Portilla, F, Titaux-Delgado, G.A.
Deposit date:2017-10-16
Release date:2018-09-26
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:From good defence into mortal risk: NMR studyand conversion of a defensin into a neurotoxin
To Be Published
6BAM
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BU of 6bam by Molmil
NMR solution structure of Defensin1 from Centruroides limpidus limpidus
Descriptor: Defensin-1
Authors:Escobedo-Gonzalez, F.C, del Rio-Portilla, F, Flores-Solis, D.
Deposit date:2017-10-13
Release date:2018-09-26
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:From good defence into mortal risk: NMR studyand conversion of a defensin into a neurotoxin
To Be Published
6B9W
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BU of 6b9w by Molmil
NMR solution structure of Defensin1 from Centruroides limpidus limpidus
Descriptor: Defensin-1
Authors:Escobedo-Gonzalez, F.C, del Rio-Portilla, F, Franco-Bodek, D.
Deposit date:2017-10-11
Release date:2018-09-26
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:From good defence into mortal risk: NMR studyand conversion of a defensin into a neurotoxin
To Be Published
5IPO
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BU of 5ipo by Molmil
Solution Structure of Hge36: Scorpine-like Peptide from Hadrurus Gertschi
Descriptor: Hge-scorpine
Authors:Flores-Solis, D, Rodriguez De La Vega, R, del Rio-Portilla, F.
Deposit date:2016-03-09
Release date:2016-06-29
Last modified:2016-08-10
Method:SOLUTION NMR
Cite:Solution structure and antiparasitic activity of scorpine-like peptides from Hoffmannihadrurus gertschi.
Febs Lett., 590, 2016
5JYH
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BU of 5jyh by Molmil
Solution Structure of Hge36: Scorpine-like Peptide from Hadrurus Gertschi
Descriptor: Hge-scorpine
Authors:Flores-Solis, D, Rodriguez De La Vega, R, del Rio-Portilla, F.
Deposit date:2016-05-13
Release date:2016-06-29
Last modified:2020-01-15
Method:SOLUTION NMR
Cite:Solution structure and antiparasitic activity of scorpine-like peptides from Hoffmannihadrurus gertschi.
Febs Lett., 590, 2016
6OGX
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BU of 6ogx by Molmil
Ternary complex of OX40R (TNFRSF4) bound to Fab1 and Fab2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 1 Heavy Chain, Fab1 Light Chain, ...
Authors:Ultsch, M.H, Boenig, G, Harris, S.F.
Deposit date:2019-04-03
Release date:2019-07-10
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Tetravalent biepitopic targeting enables intrinsic antibody agonism of tumor necrosis factor receptor superfamily members.
Mabs, 11, 2019
6OKM
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BU of 6okm by Molmil
Human OX40R (TNFRSF4) bound to Fab 3C8
Descriptor: Fab 3C8 Heavy Chain, Fab 3C8 light chain, Tumor necrosis factor receptor superfamily member 4
Authors:Boenig, G, Ultsch, M.H, Harris, S.F.
Deposit date:2019-04-14
Release date:2019-08-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Tetravalent biepitopic targeting enables intrinsic antibody agonism of tumor necrosis factor receptor superfamily members.
Mabs, 11, 2019
6OKN
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BU of 6okn by Molmil
OX40R (TNFRSF4) bound to Fab 1A7
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Fab 1A7 heavy chain, Fab 1A7 light chain, ...
Authors:Ultsch, M.H, Boenig, G, Harris, S.F.
Deposit date:2019-04-14
Release date:2019-07-10
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Tetravalent biepitopic targeting enables intrinsic antibody agonism of tumor necrosis factor receptor superfamily members.
Mabs, 11, 2019
7PTJ
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BU of 7ptj by Molmil
C54S mutant of choline-sulfatase from E. meliloti CECT4857 bound to HEPES
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, Choline sulfatase, ...
Authors:Gavira, J.A, Martinez-Rodriguez, S.
Deposit date:2021-09-27
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insights into choline-O-sulfatase reveal the molecular determinants for ligand binding.
Acta Crystallogr D Struct Biol, 78, 2022
7PTH
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BU of 7pth by Molmil
C54S mutant of choline-sulfatase from E. meliloti CECT4857 bound to choline
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Gavira, J.A, Martinez-Rodriguez, S.
Deposit date:2021-09-27
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural insights into choline-O-sulfatase reveal the molecular determinants for ligand binding.
Acta Crystallogr D Struct Biol, 78, 2022

 

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