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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
分子名称: ADENINE, Methylthioadenosine phosphorylase, SULFATE ION
著者Torini, J.R.S, Brandao-Neto, J, DeMarco, R, Pereira, H.M.
登録日2015-12-07
公開日2016-12-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献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
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylthioadenosine phosphorylase, SULFATE ION
著者Torini, J.R.S, Brandao-Neto, J, DeMarco, R, Pereira, H.M.
登録日2015-12-07
公開日2016-12-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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
分子名称: GLYCEROL, SC_2cx5
著者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.
登録日2011-04-13
公開日2011-11-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
分子名称: ACETATE ION, GLYCEROL, Serine/threonine-protein kinase pim-1, ...
著者Schneider, P, Welin, M, Svensson, B, Walse, B, Schneider, G.
登録日2020-04-06
公開日2020-07-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献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
分子名称: Computationally designed two-fold symmetric TIM-barrel protein, FLR (half molecule), PHOSPHATE ION
著者Harp, J.M, Fortenberry, C, Bowman, E, Profitt, W, Dorr, B, Mizoue, L.
登録日2011-08-11
公開日2011-11-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
分子名称: MHB8A peptide
著者Pantoja-Uceda, D, Pineda-Lucena, A.
登録日2006-09-06
公開日2007-09-18
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献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
分子名称: Methylthioadenosine phosphorylase, SULFATE ION
著者Torini, J.R.S, Brandao-Neto, J, DeMarco, R, Pereira, H.M.
登録日2015-12-07
公開日2016-12-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8518 Å)
主引用文献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
分子名称: (DOG)10, (PKG)10, (POG)10
著者Fallas, J.A, Gauba, V, Hartgerink, J.D.
登録日2009-07-09
公開日2009-07-21
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献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
分子名称: WNK1
著者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.
登録日2016-04-29
公開日2017-05-31
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.613 Å)
主引用文献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
分子名称: ADENINE, Methylthioadenosine phosphorylase, SULFATE ION
著者Torini, J.R, Brandao-Neto, J, DeMarco, R, Pereira, H.M.
登録日2015-12-11
公開日2016-12-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献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
分子名称: ADENINE, Methylthioadenosine phosphorylase, SULFATE ION
著者Torini, J.R, Brandao-Neto, J, DeMarco, R, Pereira, H.M.
登録日2015-12-08
公開日2016-12-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8148 Å)
主引用文献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
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Fumarate reductase 2, SUCCINIC ACID
著者Park, H.H, Choi, J.Y.
登録日2016-07-11
公開日2017-07-12
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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)
分子名称: UMP SYNTHASE
著者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)
登録日2007-02-16
公開日2007-03-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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
分子名称: lah4
著者Georgescu, J, Bechinger, B.
登録日2009-06-04
公開日2010-06-23
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献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
分子名称: Antibody b12, Heavy Chain, Light Chain, ...
著者Carrico, C.T.D, Strong, R.K.
登録日2011-05-04
公開日2011-11-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献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
分子名称: nasonin-1
著者Kouno, T, Tian, C, Luo, L, Zhu, S, Mizuguchi, M.
登録日2009-10-04
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
分子名称: L(+)-TARTARIC ACID, Thaumatin-1
著者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.
登録日2015-12-21
公開日2016-06-08
最終更新日2018-11-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
分子名称: L(+)-TARTARIC ACID, Thaumatin-1
著者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.
登録日2015-12-21
公開日2016-06-08
実験手法X-RAY DIFFRACTION (2.134 Å)
主引用文献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
分子名称: Carboxypeptidase G2 circular permuation pro-domain fusion, SULFATE ION, ZINC ION
著者Yachnin, B.J, Khare, S.D.
登録日2021-03-26
公開日2021-04-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献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
分子名称: FP1
著者Araki, M, Tamura, A.
登録日2009-02-26
公開日2009-03-31
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献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
分子名称: nasonin-1M
著者Kouno, T, Tian, C, Luo, L, Zhu, S, Mizuguchi, M.
登録日2009-10-04
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
分子名称: lah4
著者Georgescu, J, Bechinger, B.
登録日2009-06-04
公開日2010-06-23
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献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
分子名称: Outer surface protein A, TETRAETHYLENE GLYCOL
著者Makabe, K, Terechko, V, Koide, S.
登録日2006-08-26
公開日2007-07-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献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
分子名称: Four-alpha-helix bundle
著者Ma, D, Brandon, N.R, Cui, T, Bondarenko, V, Canlas, C, Johansson, J.S, Tang, P, Xu, Y.
登録日2006-08-31
公開日2007-09-11
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献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
分子名称: MHA6
著者Pantoja-Uceda, D, Pineda-Lucena, A.
登録日2006-09-06
公開日2007-09-18
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Design of minimal independent protein motifs able to fold autonomously
To be Published

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