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2K76
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BU of 2k76 by Molmil
Solution structure of a paralog-specific Mena binder by NMR
分子名称: pGolemi
著者Link, N.M, Hunke, C, Eichler, J, Bayer, P.
登録日2008-08-03
公開日2009-06-16
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The solution structure of pGolemi, a high affinity Mena EVH1 binding miniature protein, suggests explanations for paralog-specific binding to Ena/VASP homology (EVH) 1 domains.
Biol.Chem., 390, 2009
4ZK7
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BU of 4zk7 by Molmil
Crystal structure of rescued two-component self-assembling tetrahedral cage T33-31
分子名称: Chorismate mutase, Divalent-cation tolerance protein CutA
著者Liu, Y, Cascio, D, Sawaya, M.R, Bale, J, Collazo, M.J, Park, R, King, N, Baker, D, Yeates, T.
登録日2015-04-30
公開日2015-07-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structure of a designed tetrahedral protein assembly variant engineered to have improved soluble expression.
Protein Sci., 24, 2015
2H3T
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BU of 2h3t by Molmil
trans-(4-aminomethyl)phenylazobenzoic acid-aPP bound to DPC micelles
分子名称: (3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID, Pancreatic hormone
著者Jurt, S, Aemissegger, A, Guentert, P, Zerbe, O, Hilvert, D.
登録日2006-05-23
公開日2006-09-12
最終更新日2022-03-09
実験手法SOLUTION NMR
主引用文献A Photoswitchable Miniprotein Based on the Sequence of Avian Pancreatic Polypeptide
Angew.Chem.Int.Ed.Engl., 45, 2006
5F7J
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BU of 5f7j by Molmil
Crystal structure of Mutant N87T of adenosine/Methylthioadenosine phosphorylase from Schistosoma mansoni in complex with Adenine
分子名称: ADENINE, Methylthioadenosine phosphorylase, PHOSPHATE 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 (1.66 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
5F7Z
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BU of 5f7z by Molmil
Crystal structure of Double Mutant S12T and N87T of Adenosine/Methylthioadenosine Phosphorylase from Schistosoma mansoni in APO Form
分子名称: Methylthioadenosine phosphorylase, PHOSPHATE ION
著者Torini, J.R, Brandao-Neto, J, DeMarco, R, Pereira, H.M.
登録日2015-12-08
公開日2016-12-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 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
2H3S
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BU of 2h3s by Molmil
cis-Azobenzene-avian pancreatic polypeptide bound to DPC micelles
分子名称: (3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID, Pancreatic hormone
著者Jurt, S, Aemissegger, A, Guentert, P, Zerbe, O, Hilvert, D.
登録日2006-05-23
公開日2006-09-12
最終更新日2022-03-09
実験手法SOLUTION NMR
主引用文献A Photoswitchable Miniprotein Based on the Sequence of Avian Pancreatic Polypeptide
Angew.Chem.Int.Ed.Engl., 45, 2006
5HQ3
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BU of 5hq3 by Molmil
Stable, high-expression variant of human acetylcholinesterase
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Acetylcholinesterase, O-ETHYLMETHYLPHOSPHONIC ACID ESTER GROUP
著者Goldenzweig, A, Goldsmith, M, Hill, S.E, Gertman, O, Laurino, P, Ashani, Y, Dym, O, Albeck, S, Unger, T, Prilusky, J, Lieberman, R.L, Aharoni, A, Silman, I, Sussman, J.L, Tawfik, D.S, Fleishman, S.J.
登録日2016-01-21
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Automated Structure- and Sequence-Based Design of Proteins for High Bacterial Expression and Stability.
Mol.Cell, 63, 2016
3RFN
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BU of 3rfn by Molmil
Epitope backbone grafting by computational design for improved presentation of linear epitopes on scaffold proteins
分子名称: BB_1wnu_001, ZINC ION
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2011-04-06
公開日2011-11-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 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
3RHU
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BU of 3rhu by Molmil
Epitope backbone grafting by computational design for improved presentation of linear epitopes on scaffold proteins
分子名称: SC_1wnu
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2011-04-12
公開日2011-11-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8 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
5HJA
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BU of 5hja by Molmil
Crystal structure of Leishmania mexicana arginase in complex with inhibitor ABHDP
分子名称: (R)-2-amino-6-borono-2-(1-(3,4-dichlorobenzyl)piperidin-4-yl)hexanoic acid, Arginase, GLYCEROL, ...
著者Hai, Y, Christianson, D.W.
登録日2016-01-13
公開日2016-04-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structures of Leishmania mexicana arginase complexed with alpha , alpha-disubstituted boronic amino-acid inhibitors.
Acta Crystallogr F Struct Biol Commun, 72, 2016
5HAV
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BU of 5hav by Molmil
Sperm whale myoglobin mutant L29H F33Y F43H (F33Y CuBMb) with oxygen bound
分子名称: Myoglobin, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE
著者Petrik, I.D, Lu, Y.
登録日2015-12-31
公開日2016-01-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.268 Å)
主引用文献Spectroscopic and Crystallographic Evidence for the Role of a Water-Containing H-Bond Network in Oxidase Activity of an Engineered Myoglobin.
J.Am.Chem.Soc., 138, 2016
3PV2
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BU of 3pv2 by Molmil
Structure of Legionella fallonii DegQ (wt)
分子名称: DegQ
著者Wrase, R, Scott, H, Hilgenfeld, R, Hansen, G.
登録日2010-12-06
公開日2011-06-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The Legionella HtrA homologue DegQ is a self-compartmentizing protease that forms large 12-meric assemblies.
Proc.Natl.Acad.Sci.USA, 108, 2011
5HJ9
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BU of 5hj9 by Molmil
Crystal structure of Leishmania mexicana arginase in complex with inhibitor ABHPE
分子名称: 1,2-ETHANEDIOL, Arginase, GLYCEROL, ...
著者Hai, Y, Christianson, D.W.
登録日2016-01-13
公開日2016-04-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Crystal structures of Leishmania mexicana arginase complexed with alpha , alpha-disubstituted boronic amino-acid inhibitors.
Acta Crystallogr F Struct Biol Commun, 72, 2016
5F7X
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BU of 5f7x by Molmil
Crystal structure of Mutant Q289L of adenosine/Methylthioadenosine phosphorylase from Schistosoma mansoni in complex with Tubercidin
分子名称: '2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, 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 (1.77 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
2I5V
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BU of 2i5v by Molmil
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2006-08-25
公開日2007-12-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献High-Resolution Structure of a Self-Assembly-Competent Form of a Hydrophobic Peptide Captured in a Soluble β-Sheet Scaffold.
J.Mol.Biol., 378, 2008
2WRZ
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BU of 2wrz by Molmil
Crystal structure of an arabinose binding protein with designed serotonin binding site in open, ligand-free state
分子名称: L-ARABINOSE-BINDING PERIPLASMIC PROTEIN
著者Schreier, B, Stumpp, C, Wiesner, S, Hocker, B.
登録日2009-09-03
公開日2009-10-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Computational Design of Ligand Binding is not a Solved Problem
Proc.Natl.Acad.Sci.USA, 106, 2009
3PV4
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BU of 3pv4 by Molmil
Structure of Legionella fallonii DegQ (Delta-PDZ2 variant)
分子名称: CADMIUM ION, DegQ
著者Wrase, R, Scott, H, Hilgenfeld, R, Hansen, G.
登録日2010-12-06
公開日2011-06-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The Legionella HtrA homologue DegQ is a self-compartmentizing protease that forms large 12-meric assemblies.
Proc.Natl.Acad.Sci.USA, 108, 2011
2H4B
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BU of 2h4b by Molmil
cis-4-aminomethylphenylazobenzoic acid-avian pancreatic polypeptide
分子名称: (3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID, Pancreatic hormone
著者Jurt, S, Aemissegger, A, Guentert, P, Zerbe, O, Hilvert, D.
登録日2006-05-24
公開日2006-09-12
最終更新日2022-03-09
実験手法SOLUTION NMR
主引用文献A Photoswitchable Miniprotein Based on the Sequence of Avian Pancreatic Polypeptide
Angew.Chem.Int.Ed.Engl., 45, 2006
5HX8
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BU of 5hx8 by Molmil
Jak1 complex with 4-[(4-aminocyclohexyl)amino]-3-(1H-benzimidazol-2-yl)-1H-pyridin-2-one
分子名称: 4-[(4-aminocyclohexyl)amino]-3-(1H-benzimidazol-2-yl)-1H-pyridin-2-one, Tyrosine-protein kinase JAK1
著者Su, H.P.
登録日2016-01-29
公開日2016-03-16
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-based design and development of (benz)imidazole pyridones as JAK1-selective kinase inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
2L96
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BU of 2l96 by Molmil
Solution structure of LAK160-P7
分子名称: LAK160-P7
著者Vermeer, L.S, Bui, T.T, Lan, Y, Jumagulova, E, Kozlowska, J, McIntyre, C, Drake, A.F, Mason, J.A.
登録日2011-02-01
公開日2012-02-01
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献The role of proline induced conformational flexibility in determining the antibacterial potency of linear cationic alpha-helical peptides
To be Published
2LQ4
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BU of 2lq4 by Molmil
Structural Characterization of an LPA1 Second Extracellular Loop Mimetic with a Self-Assembling Coiled-Coil Folding Constraint
分子名称: Lysophosphatidic acid receptor 1
著者Young, J.K.
登録日2012-02-23
公開日2013-01-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Characterization of an LPA1 Second Extracellular Loop Mimetic with a Self-Assembling Coiled-Coil Folding Constraint.
Int J Mol Sci, 14, 2013
3TDN
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BU of 3tdn by Molmil
Computationally designed two-fold symmetric Tim-barrel protein, FLR
分子名称: FLR SYMMETRIC ALPHA-BETA TIM BARREL
著者Harp, J.M, Fortenberry, C, Bowman, E, Profitt, W, Dorr, B, Mizoue, L, Meiler, J.
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 (1.4 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
3UC8
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BU of 3uc8 by Molmil
Trp-cage cyclo-TC1 - tetragonal crystal form
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, cyclo-TC1
著者Scian, M, Le Trong, I, Stenkamp, R.E, Andersen, N.H.
登録日2011-10-26
公開日2012-07-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Crystal and NMR structures of a Trp-cage mini-protein benchmark for computational fold prediction.
Proc.Natl.Acad.Sci.USA, 109, 2012
2I9N
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BU of 2i9n by Molmil
Design of bivalent miniprotein consisting of two independent elements, a b-hairpin peptide and a-helix peptide, tethered by four glycines
分子名称: MHB4A 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
2JAB
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BU of 2jab by Molmil
A designed ankyrin repeat protein evolved to picomolar affinity to Her2
分子名称: H10-2-G3
著者Zahnd, C, Wyler, E, Schwenk, J.M, Steiner, D, Lawrence, M.C, McKern, N.M, Pecorari, F, Ward, C.W, Joos, T.O, Pluckthun, A.
登録日2006-11-27
公開日2007-05-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A Designed Ankyrin Repeat Protein Evolved to Picomolar Affinity to Her2
J.Mol.Biol., 369, 2007

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