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5F77
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BU of 5f77 by Molmil
Crystal structure of Mutant S12T of adenosine/Methylthioadenosine phosphorylase from Schistosoma mansoni in complex with Adenine
Descriptor: ADENINE, Methylthioadenosine phosphorylase, SULFATE ION
Authors:Torini, J.R.S, Brandao-Neto, J, DeMarco, R, Pereira, H.M.
Deposit date:2015-12-07
Release date:2016-12-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Crystal Structure of Schistosoma mansoni Adenosine Phosphorylase/5'-Methylthioadenosine Phosphorylase and Its Importance on Adenosine Salvage Pathway.
PLoS Negl Trop Dis, 10, 2016
5F76
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BU of 5f76 by Molmil
Crystal structure of Mutant S12T of Adenosine/Methylthioadenosine Phosphorylase from Schistosoma mansoni in complex with Methylthioadenosine
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylthioadenosine phosphorylase, SULFATE ION
Authors:Torini, J.R.S, Brandao-Neto, J, DeMarco, R, Pereira, H.M.
Deposit date:2015-12-07
Release date:2016-12-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of Schistosoma mansoni Adenosine Phosphorylase/5'-Methylthioadenosine Phosphorylase and Its Importance on Adenosine Salvage Pathway.
PLoS Negl Trop Dis, 10, 2016
3RIJ
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BU of 3rij by Molmil
Epitope backbone grafting by computational design for improved presentation of linear epitopes on scaffold proteins
Descriptor: GLYCEROL, SC_2cx5
Authors:Azoitei, M.L, Ban, Y.A, Julien, J.P, Bryson, S, Schroeter, A, Kalyuzhniy, O, Porter, J.R, Adachi, Y, Baker, D, Szabo, E, Pai, E.F, Schief, W.R.
Deposit date:2011-04-13
Release date:2011-11-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Computational design of high-affinity epitope scaffolds by backbone grafting of a linear epitope.
J.Mol.Biol., 415, 2012
6YKD
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BU of 6ykd by Molmil
Human Pim-1 kinase in complex with an inhibitor identified by virtual screening
Descriptor: ACETATE ION, GLYCEROL, Serine/threonine-protein kinase pim-1, ...
Authors:Schneider, P, Welin, M, Svensson, B, Walse, B, Schneider, G.
Deposit date:2020-04-06
Release date:2020-07-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Virtual Screening and Design with Machine Intelligence Applied to Pim-1 Kinase Inhibitors.
Mol Inform, 39, 2020
3TDM
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BU of 3tdm by Molmil
Computationally designed TIM-barrel protein, HalfFLR
Descriptor: Computationally designed two-fold symmetric TIM-barrel protein, FLR (half molecule), PHOSPHATE ION
Authors:Harp, J.M, Fortenberry, C, Bowman, E, Profitt, W, Dorr, B, Mizoue, L.
Deposit date:2011-08-11
Release date:2011-11-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Exploring symmetry as an avenue to the computational design of large protein domains.
J.Am.Chem.Soc., 133, 2011
2I9O
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BU of 2i9o by Molmil
Design of bivalent miniprotein consisting of two independent elements, a b-hairpin peptide and a-helix peptide, tethered by eight glycines
Descriptor: MHB8A peptide
Authors:Pantoja-Uceda, D, Pineda-Lucena, A.
Deposit date:2006-09-06
Release date:2007-09-18
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Design of minimal independt protein motifs able to fold autonomously
To be Published
5F78
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BU of 5f78 by Molmil
Crystal structure of Mutant N87T of adenosine/Methylthioadenosine phosphorylase from Schistosoma mansoni in APO form
Descriptor: Methylthioadenosine phosphorylase, SULFATE ION
Authors:Torini, J.R.S, Brandao-Neto, J, DeMarco, R, Pereira, H.M.
Deposit date:2015-12-07
Release date:2016-12-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8518 Å)
Cite:Crystal Structure of Schistosoma mansoni Adenosine Phosphorylase/5'-Methylthioadenosine Phosphorylase and Its Importance on Adenosine Salvage Pathway.
PLoS Negl Trop Dis, 10, 2016
2KLW
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BU of 2klw by Molmil
Solution structure of an abc collagen heterotrimer reveals a single-register helix stabilized by electrostatic interactions
Descriptor: (DOG)10, (PKG)10, (POG)10
Authors:Fallas, J.A, Gauba, V, Hartgerink, J.D.
Deposit date:2009-07-09
Release date:2009-07-21
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Solution structure of an ABC collagen heterotrimer reveals a single-register helix stabilized by electrostatic interactions.
J.Biol.Chem., 284, 2009
5G3Q
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BU of 5g3q by Molmil
Crystal structure of a hypothetical domain in WNK1
Descriptor: WNK1
Authors:Pinkas, D.M, Bufton, J.C, Sanvitale, C.E, Bartual, S.G, Adamson, R.J, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
Deposit date:2016-04-29
Release date:2017-05-31
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.613 Å)
Cite:Crystal Structure of a Hypothetical Domain in Wnk1
To be Published
5FAK
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BU of 5fak by Molmil
Crystal structure of Double Mutant S12T and N87T of Adenosine/Methylthioadenosine Phosphorylase from Schistosoma mansoni in complex with Adenine
Descriptor: ADENINE, Methylthioadenosine phosphorylase, SULFATE ION
Authors:Torini, J.R, Brandao-Neto, J, DeMarco, R, Pereira, H.M.
Deposit date:2015-12-11
Release date:2016-12-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystal Structure of Schistosoma mansoni Adenosine Phosphorylase/5'-Methylthioadenosine Phosphorylase and Its Importance on Adenosine Salvage Pathway.
PLoS Negl Trop Dis, 10, 2016
5F7O
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BU of 5f7o by Molmil
Crystal structure of Mutant Q289L of adenosine/Methylthioadenosine phosphorylase from Schistosoma mansoni in complex with Adenine
Descriptor: ADENINE, Methylthioadenosine phosphorylase, SULFATE ION
Authors:Torini, J.R, Brandao-Neto, J, DeMarco, R, Pereira, H.M.
Deposit date:2015-12-08
Release date:2016-12-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8148 Å)
Cite:Crystal Structure of Schistosoma mansoni Adenosine Phosphorylase/5'-Methylthioadenosine Phosphorylase and Its Importance on Adenosine Salvage Pathway.
PLoS Negl Trop Dis, 10, 2016
5GLG
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BU of 5glg by Molmil
The novel function of Osm1 under anaerobic condition in the ER was revealed by crystal structure of Osm1, a soluble fumarate reductase in yeast
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Fumarate reductase 2, SUCCINIC ACID
Authors:Park, H.H, Choi, J.Y.
Deposit date:2016-07-11
Release date:2017-07-12
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular basis of maintaining an oxidizing environment under anaerobiosis by soluble fumarate reductase.
Nat Commun, 9, 2018
2JGY
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BU of 2jgy by Molmil
The crystal structure of human orotidine-5'-decarboxylase domain of human uridine monophosphate synthetase (UMPS)
Descriptor: UMP SYNTHASE
Authors:Moche, M, Ogg, D, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Ericsson, U.B, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Karlberg, T, Kosinska, U, Kotenyova, T, Lehtio, L, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Uppenberg, J, Upsten, M, Thorsell, A.G, van den Berg, S, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2007-02-16
Release date:2007-03-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Crystal Structure of Human Orotidine-5'-Decarboxylase Domain of Human Uridine Monophosphate Synthetase (Umps)
To be Published
2KJN
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BU of 2kjn by Molmil
pH dependent structures of LAH4 in micellar environmnet:mode of acting
Descriptor: lah4
Authors:Georgescu, J, Bechinger, B.
Deposit date:2009-06-04
Release date:2010-06-23
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:NMR structures of the histidine-rich peptide LAH4 in micellar environments: membrane insertion, pH-dependent mode of antimicrobial action, and DNA transfection.
Biophys.J., 99, 2010
3RU8
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BU of 3ru8 by Molmil
Structure of an HIV epitope scaffold in complex with neutralizing antibody b12 Fab
Descriptor: Antibody b12, Heavy Chain, Light Chain, ...
Authors:Carrico, C.T.D, Strong, R.K.
Deposit date:2011-05-04
Release date:2011-11-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Computation-guided backbone grafting of a discontinuous motif onto a protein scaffold.
Science, 334, 2011
2KOZ
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BU of 2koz by Molmil
Solution structure of nasonin-1
Descriptor: nasonin-1
Authors:Kouno, T, Tian, C, Luo, L, Zhu, S, Mizuguchi, M.
Deposit date:2009-10-04
Release date:2010-10-06
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution structure of nasonin-1
To be Published
5FGT
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BU of 5fgt by Molmil
Thaumatin solved by native sulphur-SAD using free-electron laser radiation
Descriptor: L(+)-TARTARIC ACID, Thaumatin-1
Authors:Nass, K.J, Meinhart, A, Barends, T.R.M, Foucar, L, Gorel, A, Aquila, A, Botha, S, Doak, R.B, Koglin, J, Liang, M, Shoeman, R.L, Williams, G.K, Boutet, S, Schlichting, I.
Deposit date:2015-12-21
Release date:2016-06-08
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Protein structure determination by single-wavelength anomalous diffraction phasing of X-ray free-electron laser data.
Iucrj, 3, 2016
5FGX
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BU of 5fgx by Molmil
Thaumatin solved by native sulphur SAD using synchrotron radiation
Descriptor: L(+)-TARTARIC ACID, Thaumatin-1
Authors:Nass, K.J, Meinhart, A, Barends, T.R.M, Foucar, L, Gorel, A, Aquila, A, Botha, S, Doak, R.B, Koglin, J, Liang, M, Shoeman, R.L, Williams, G.J, Boutet, S, Schlichting, I.
Deposit date:2015-12-21
Release date:2016-06-08
Method:X-RAY DIFFRACTION (2.134 Å)
Cite:Protein structure determination by single-wavelength anomalous diffraction phasing of X-ray free-electron laser data.
Iucrj, 3, 2016
7M6U
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BU of 7m6u by Molmil
Crystal structure of a circular permutation and computationally designed pro-enzyme of carboxypeptidase G2
Descriptor: Carboxypeptidase G2 circular permuation pro-domain fusion, SULFATE ION, ZINC ION
Authors:Yachnin, B.J, Khare, S.D.
Deposit date:2021-03-26
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Massively parallel, computationally guided design of a proenzyme.
Proc.Natl.Acad.Sci.USA, 119, 2022
2KFQ
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BU of 2kfq by Molmil
NMR Structure of FP1
Descriptor: FP1
Authors:Araki, M, Tamura, A.
Deposit date:2009-02-26
Release date:2009-03-31
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solubility-dependent structural formation of a 25-residue, natively unfolded protein, induced by addition of a seven-residue peptide fragment
Febs J., 276, 2009
2KP0
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BU of 2kp0 by Molmil
Solution structure of nasonin-1M
Descriptor: nasonin-1M
Authors:Kouno, T, Tian, C, Luo, L, Zhu, S, Mizuguchi, M.
Deposit date:2009-10-04
Release date:2010-10-06
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution structure of nasonin-1M
To be Published
2KJO
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BU of 2kjo by Molmil
pH dependent structures of LAH4 in micellar environment: mode of acting
Descriptor: lah4
Authors:Georgescu, J, Bechinger, B.
Deposit date:2009-06-04
Release date:2010-06-23
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:NMR structures of the histidine-rich peptide LAH4 in micellar environments: membrane insertion, pH-dependent mode of antimicrobial action, and DNA transfection.
Biophys.J., 99, 2010
2I5Z
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BU of 2i5z by Molmil
The crystal structure of OspA mutant
Descriptor: Outer surface protein A, TETRAETHYLENE GLYCOL
Authors:Makabe, K, Terechko, V, Koide, S.
Deposit date:2006-08-26
Release date:2007-07-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Hydrophobic surface burial is the major stability determinant of a flat, single-layer beta-sheet.
J.Mol.Biol., 368, 2007
2I7U
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BU of 2i7u by Molmil
Structural and Dynamical Analysis of a Four-Alpha-Helix Bundle with Designed Anesthetic Binding Pockets
Descriptor: Four-alpha-helix bundle
Authors:Ma, D, Brandon, N.R, Cui, T, Bondarenko, V, Canlas, C, Johansson, J.S, Tang, P, Xu, Y.
Deposit date:2006-08-31
Release date:2007-09-11
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Four-alpha-helix bundle with designed anesthetic binding pockets. Part I: structural and dynamical analyses.
Biophys.J., 94, 2008
2I9M
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BU of 2i9m by Molmil
Design of a-helix based on conformationally restricted libraries
Descriptor: MHA6
Authors:Pantoja-Uceda, D, Pineda-Lucena, A.
Deposit date:2006-09-06
Release date:2007-09-18
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Design of minimal independent protein motifs able to fold autonomously
To be Published

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