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2E4E
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BU of 2e4e by Molmil
NMR structure of D4P/K7G mutant of GPM12
分子名称: GPM12
著者Terada, T, Satoh, D, Mikawa, T, Ito, Y, Shimizu, K.
登録日2006-12-06
公開日2008-02-05
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Understanding the roles of amino acid residues in tertiary structure formation of chignolin by using molecular dynamics simulation
To be Published
2HYZ
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BU of 2hyz by Molmil
Crystal structure of an 8 repeat consensus TPR superhelix (orthorombic crystal form)
分子名称: SAMARIUM (III) ION, SYNTHETIC CONSENSUS TPR PROTEIN
著者Kajander, T, Cortajarena, A.L, Regan, L.
登録日2006-08-08
公開日2008-02-19
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and stability of designed TPR protein superhelices: unusual crystal packing and implications for natural TPR proteins.
Acta Crystallogr.,Sect.D, 63, 2007
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
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
2OTK
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BU of 2otk by Molmil
Structure of Alzheimer Ab peptide in complex with an engineered binding protein
分子名称: Amyloid beta A4 protein, ZAb3 Affibody dimer
著者Hoyer, W, Hard, T.
登録日2007-02-08
公開日2008-02-12
最終更新日2019-12-04
実験手法SOLUTION NMR
主引用文献Stabilization of a beta-hairpin in monomeric Alzheimer's amyloid-beta peptide inhibits amyloid formation.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2P0X
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BU of 2p0x by Molmil
solution structure of a non-biological ATP-binding protein
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ZINC ION, abiotic ATP-binding, ...
著者Mansy, S.S, Szostak, J.W, Chaput, J.C.
登録日2007-03-01
公開日2007-08-07
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure and Evolutionary Analysis of a Non-biological ATP-binding Protein
J.Mol.Biol., 371, 2007
4ZN8
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BU of 4zn8 by Molmil
Using molecular dynamics simulations to predict domain swapping of computationally designed protein variants
分子名称: POTASSIUM ION, computationally modified engrailed homeodomain
著者Huang, P.-S, Thomas, L.M, Mayo, S.L.
登録日2015-05-04
公開日2015-05-27
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Using Molecular Dynamics Simulations as an Aid in the Prediction of Domain Swapping of Computationally Designed Protein Variants.
J.Mol.Biol., 427, 2015
4A29
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BU of 4a29 by Molmil
Structure of the engineered retro-aldolase RA95.0
分子名称: 1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE, D-MALATE, ENGINEERED RETRO-ALDOL ENZYME RA95.0
著者Giger, L, Caner, S, Kast, P, Baker, D, Ban, N, Hilvert, D.
登録日2011-09-23
公開日2012-11-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Evolution of a designed retro-aldolase leads to complete active site remodeling.
Nat.Chem.Biol., 9, 2013
4IVH
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BU of 4ivh by Molmil
Crystal structure of QKLVFFAED nonapeptide segment from amyloid beta incorporated into a macrocyclic beta-sheet template
分子名称: SODIUM ION, TERTIARY-BUTYL ALCOHOL, cyclo[Gln-Lys-Leu-Val-Phe-Phe-Ala-Glu-Asp-(delta-linked-Orn)-Hao-Lys-Hao-(p-bromoPhe)-Thr-(delta-linked-Orn)]
著者Pham, J.D, Chim, N, Goulding, C.W, Nowick, J.S.
登録日2013-01-22
公開日2013-07-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structures of beta-Amyloid Peptide Oligomers
J.Am.Chem.Soc., 2013
7EWH
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BU of 7ewh by Molmil
Crystal structure of human PHGDH in complex with Homoharringtonine
分子名称: (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine, D-3-phosphoglycerate dehydrogenase
著者Hsieh, C.H, Cheng, Y.S, Lee, Y.S, Huang, H.C, Juan, H.F.
登録日2021-05-25
公開日2022-12-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Homoharringtonine as a PHGDH inhibitor: Unraveling metabolic dependencies and developing a potent therapeutic strategy for high-risk neuroblastoma.
Biomed Pharmacother, 166, 2023
4AFQ
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BU of 4afq by Molmil
Human Chymase - Fynomer Complex
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHYMASE, CITRATE ANION, ...
著者Schlatter, D, Brack, S, Banner, D.W, Batey, S, Benz, J, Bertschinger, J, Huber, W, Joseph, C, Rufer, A, Van Der Kloosters, A, Weber, M, Grabulovski, D, Hennig, M.
登録日2012-01-23
公開日2012-07-11
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Generation, Characterization and Structural Data of Chymase Binding Proteins Based on the Human Fyn Kinase SH3 Domain.
Mabs, 4, 2012
2R2V
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BU of 2r2v by Molmil
Sequence Determinants of the Topology of the Lac Repressor Tetrameric Coiled Coil
分子名称: ACETATE ION, CITRIC ACID, GCN4 leucine zipper, ...
著者Liu, J, Lu, M.
登録日2007-08-27
公開日2008-06-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Conformational specificity of the lac repressor coiled-coil tetramerization domain.
Biochemistry, 46, 2007
4JB8
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BU of 4jb8 by Molmil
Caspase-7 in Complex with DARPin C7_16
分子名称: Caspase-7 subunit p11, Caspase-7 subunit p20, DARPin C7_16
著者Fluetsch, A, Seeger, M.A, Gruetter, M.G.
登録日2013-02-19
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design, construction, and characterization of a second-generation DARPin library with reduced hydrophobicity.
Protein Sci., 22, 2013
3C3G
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BU of 3c3g by Molmil
alpha/beta-Peptide helix bundles: The GCN4-pLI side chain sequence on an (alpha-alpha-beta) backbone
分子名称: GLYCEROL, alpha/beta peptide with the GCN4-pLI side chain sequence on an (alpha-alpha-beta) backbone
著者Horne, W.S, Price, J.L, Gellman, S.H.
登録日2008-01-28
公開日2008-06-17
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Interplay among side chain sequence, backbone composition, and residue rigidification in polypeptide folding and assembly.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3C3F
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BU of 3c3f by Molmil
alpha/beta-Peptide helix bundles: The GCN4-pLI side chain sequence on an (alpha-alpha-alpha-beta) backbone
分子名称: alpha/beta peptide with the GCN4-pLI side chain sequence on an (alpha-alpha-alpha-beta) backbone
著者Horne, W.S, Price, J.L, Gellman, S.H.
登録日2008-01-28
公開日2008-06-17
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Interplay among side chain sequence, backbone composition, and residue rigidification in polypeptide folding and assembly.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3BX8
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BU of 3bx8 by Molmil
Engineered Human Lipocalin 2 (LCN2), apo-form
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ENGINEERED HUMAN LIPOCALIN 2, PENTAETHYLENE GLYCOL
著者Schonfeld, D.L, Chatwell, L, Skerra, A.
登録日2008-01-11
公開日2009-01-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High affinity molecular recognition and functional blockade of CTLA-4 by an engineered human lipocalin
To be Published
4KGS
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BU of 4kgs by Molmil
Backbone Modifications in the Protein GB1 Loops: beta-3-Val21, beta-3-Asp40
分子名称: GLYCEROL, Streptococcal Protein GB1 Backbone Modified Variant: beta-3-Val21, beta-3-Asp40
著者Reinert, Z.E, Lengyel, G.A, Horne, W.S.
登録日2013-04-29
公開日2013-09-04
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Protein-like Tertiary Folding Behavior from Heterogeneous Backbones.
J.Am.Chem.Soc., 135, 2013
4KGR
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BU of 4kgr by Molmil
Backbone Modifications in the Protein GB1 Helix: beta-3-Ala24, beta-3-Lys28, beta-3-Lys31, beta-3-Asn35
分子名称: GLYCEROL, Streptococcal Protein GB1 Backbone Modified Variant: beta-3-Ala24, beta-3-Lys28, ...
著者Reinert, Z.E, Lengyel, G.A, Horne, W.S.
登録日2013-04-29
公開日2013-09-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Protein-like Tertiary Folding Behavior from Heterogeneous Backbones.
J.Am.Chem.Soc., 135, 2013
4YDY
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BU of 4ydy by Molmil
CRYSTAL STRUCTURE OF DARPIN 44C12V5 IN COMPLEX WITH HUMAN IL-4
分子名称: ACETATE ION, DARPIN 44C12V5, GLYCEROL, ...
著者Teplyakov, A, Obmolova, G, Gilliland, G.
登録日2015-02-23
公開日2015-03-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献CRYSTAL STRUCTURE OF DARPIN 44C12V5 IN COMPLEX WITH HUMAN IL-4
To Be Published
3BJE
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BU of 3bje by Molmil
Crystal structure of Trypanosoma brucei nucleoside phosphorylase shows uridine phosphorylase activity
分子名称: 1-O-phosphono-alpha-D-ribofuranose, CALCIUM ION, Nucleoside phosphorylase, ...
著者Larson, E.T, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
登録日2007-12-03
公開日2007-12-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献The Crystal Structure and Activity of a Putative Trypanosomal Nucleoside Phosphorylase Reveal It to be a Homodimeric Uridine Phosphorylase
J.Mol.Biol., 396, 2010
4AFZ
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BU of 4afz by Molmil
Human Chymase - Fynomer Complex
分子名称: CHYMASE, D(-)-TARTARIC ACID, FYNOMER
著者Schlatter, D, Brack, S, Banner, D.W, Batey, S, Benz, J, Bertschinger, J, Huber, W, Joseph, C, Rufer, A, Van Der Kloosters, A, Weber, M, Grabulovski, D, Hennig, M.
登録日2012-01-23
公開日2012-07-11
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Generation, Characterization and Structural Data of Chymase Binding Proteins Based on the Human Fyn Kinase SH3 Domain.
Mabs, 4, 2012
4KYV
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BU of 4kyv by Molmil
Crystal Structure of dehalogenase HaloTag2 with HALTS at the resolution 1.8A. Northeast Structural Genomics Consortium (NESG) Target OR150
分子名称: N-(2-ethoxy-3,5-dimethylbenzyl)-1H-tetrazol-5-amine, SODIUM ION, dehalogenase HaloTag2
著者Kuzin, A, Lew, S, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Wang, H, Everett, J.K, Acton, T.B, Kornhaber, G, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2013-05-29
公開日2013-07-24
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.796 Å)
主引用文献Northeast Structural Genomics Consortium Target OR150
To be Published
2P6J
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BU of 2p6j by Molmil
Full-sequence computational design and solution structure of a thermostable protein variant
分子名称: designed engrailed homeodomain variant UVF
著者Shah, P.S, Hom, G.K, Ross, S.A, Lassila, J.K, Crowhurst, K.A, Mayo, S.L.
登録日2007-03-18
公開日2007-08-14
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Full-sequence Computational Design and Solution Structure of a Thermostable Protein Variant.
J.Mol.Biol., 372, 2007
4KUP
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BU of 4kup by Molmil
Endothiapepsin in complex with 20mM acylhydrazone inhibitor
分子名称: (2S)-2-azanyl-3-(3H-indol-3-yl)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Radeva, N, Heine, A, Klebe, G.
登録日2013-05-22
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.311 Å)
主引用文献Structure-based design of inhibitors of the aspartic protease endothiapepsin by exploiting dynamic combinatorial chemistry.
Angew.Chem.Int.Ed.Engl., 53, 2014
3B3M
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BU of 3b3m by Molmil
Structure of neuronal NOS heme domain in complex with a inhibitor (+-)-3-{cis-4'-[(6"-aminopyridin-2"-yl)methyl]pyrrolidin-3'-ylamino}propan-1-ol
分子名称: 3-({(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}amino)propan-1-ol, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Igarashi, J, Li, H, Poulos, T.L.
登録日2007-10-22
公開日2008-07-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Minimal pharmacophoric elements and fragment hopping, an approach directed at molecular diversity and isozyme selectivity. Design of selective neuronal nitric oxide synthase inhibitors.
J.Am.Chem.Soc., 130, 2008

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