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3R4A
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BU of 3r4a by Molmil
Crystal structure of the 4-helix coiled coil CC-tet
分子名称: coiled coil helix CC-tet
著者Zaccai, N.R, Chi, B.H.C, Woolfson, D.N, Brady, R.L.
登録日2011-03-17
公開日2011-11-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.0701 Å)
主引用文献A de novo peptide hexamer with a mutable channel.
Nat.Chem.Biol., 7, 2011
2PVC
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BU of 2pvc by Molmil
DNMT3L recognizes unmethylated histone H3 lysine 4
分子名称: DNA (cytosine-5)-methyltransferase 3-like, Histone H3 peptide, ZINC ION
著者Cheng, X.
登録日2007-05-09
公開日2007-08-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.69 Å)
主引用文献DNMT3L connects unmethylated lysine 4 of histone H3 to de novo methylation of DNA.
Nature, 448, 2007
1AJK
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CIRCULARLY PERMUTED (1-3,1-4)-BETA-D-GLUCAN 4-GLUCANOHYDROLASE CPA16M-84
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CIRCULARLY PERMUTED (1-3,1-4)-BETA-D-GLUCAN 4-GLUCANOHYDROLASE, ...
著者Ay, J, Heinemann, U.
登録日1997-05-06
公開日1998-05-06
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures and properties of de novo circularly permuted 1,3-1,4-beta-glucanases.
Proteins, 30, 1998
3R48
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BU of 3r48 by Molmil
Crystal structure of a hetero-hexamer coiled coil
分子名称: GLYCEROL, coiled coil helix W22-L24H, coiled coil helix Y15-L24D
著者Zaccai, N.R, Chi, B.H.C, Woolfson, D.N, Brady, R.L.
登録日2011-03-17
公開日2011-11-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.0011 Å)
主引用文献A de novo peptide hexamer with a mutable channel.
Nat.Chem.Biol., 7, 2011
1AJO
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BU of 1ajo by Molmil
CIRCULARLY PERMUTED (1-3,1-4)-BETA-D-GLUCAN 4-GLUCANOHYDROLASE CPA16M-127
分子名称: CALCIUM ION, CIRCULARLY PERMUTED (1-3,1-4)-BETA-D-GLUCAN 4-GLUCANOHYDROLASE CPA16M-127
著者Ay, J, Heinemann, U.
登録日1997-05-07
公開日1998-05-06
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Crystal structures and properties of de novo circularly permuted 1,3-1,4-beta-glucanases.
Proteins, 30, 1998
2PV0
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BU of 2pv0 by Molmil
DNA methyltransferase 3 like protein (DNMT3L)
分子名称: DNA (cytosine-5)-methyltransferase 3-like, ZINC ION
著者Cheng, X.
登録日2007-05-09
公開日2007-08-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献DNMT3L connects unmethylated lysine 4 of histone H3 to de novo methylation of DNA.
Nature, 448, 2007
3B3O
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BU of 3b3o by Molmil
Structure of neuronal nos heme domain in complex with a inhibitor (+-)-n1-{cis-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-n2-(4'-chlorobenzyl)ethane-1,2-diamine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL]PYRROLIDIN-3-YL}-N'-(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE, ...
著者Igarashi, J, Li, H, Poulos, T.L.
登録日2007-10-22
公開日2008-11-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structures of constitutive nitric oxide synthases in complex with de novo designed inhibitors.
J.Med.Chem., 52, 2009
3B3P
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BU of 3b3p by Molmil
Structure of neuronal nos heme domain in complex with a inhibitor (+-)-n1-{cis-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-n2-(4'-chlorobenzyl)ethane-1,2-diamine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-(3-chlorobenzyl)ethane-1,2-diamine, ...
著者Igarashi, J, Li, H, Poulos, T.L.
登録日2007-10-22
公開日2008-11-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structures of constitutive nitric oxide synthases in complex with de novo designed inhibitors.
J.Med.Chem., 52, 2009
4E8U
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BU of 4e8u by Molmil
Crystal structure of Arabidopsis IDN2 XS domain along with a small segment of adjacent coiled-coil region
分子名称: Putative uncharacterized protein T8P19.180, SULFATE ION
著者Simanshu, D.K, Patel, D.J.
登録日2012-03-20
公開日2012-06-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献INVOLVED IN DE NOVO 2-containing complex involved in RNA-directed DNA methylation in Arabidopsis.
Proc.Natl.Acad.Sci.USA, 109, 2012
2N2U
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BU of 2n2u by Molmil
Solution NMR Structure of DE NOVO DESIGNED Ferredoxin Fold PROTEIN sfr3, Northeast Structural Genomics Consortium (NESG) Target OR358
分子名称: OR358
著者Liu, G, Lin, Y, Koga, N, Koga, R, Xiao, R, Janjua, H, Hamilton, K, Pederson, K, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2015-05-14
公開日2015-09-16
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution NMR Structure of DE NOVO DESIGNED Ferredoxin Fold PROTEIN sfr3, Northeast Structural Genomics Consortium (NESG) Target OR358
To be Published
3S70
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BU of 3s70 by Molmil
Crystal structure of active caspase-6 bound with Ac-VEID-CHO solved by As-SAD
分子名称: ACETATE ION, CACODYLATE ION, Caspase-6, ...
著者Su, X.-D, Liu, X, Wang, X.-J.
登録日2011-05-26
公開日2012-04-11
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (1.625 Å)
主引用文献Get phases from arsenic anomalous scattering: de novo SAD phasing of two protein structures crystallized in cacodylate buffer
Plos One, 6, 2011
3S2S
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BU of 3s2s by Molmil
The crystal structure of pyrazinamidase/nicotinamidase from streptococcus mutans UA159
分子名称: CACODYLIC ACID, Putative pyrazinamidase/nicotinamidase, ZINC ION
著者Su, X.-D, Liu, X, Zhang, H.
登録日2011-05-17
公開日2012-05-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Get phases from arsenic anomalous scattering: de novo SAD phasing of two protein structures crystallized in cacodylate buffer
Plos One, 6, 2011
2QRV
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BU of 2qrv by Molmil
Structure of Dnmt3a-Dnmt3L C-terminal domain complex
分子名称: DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3A, S-ADENOSYL-L-HOMOCYSTEINE
著者Jia, D, Cheng, X.
登録日2007-07-29
公開日2007-12-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Structure of Dnmt3a bound to Dnmt3L suggests a model for de novo DNA methylation.
Nature, 449, 2007
3U19
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BU of 3u19 by Molmil
CRYSTAL STRUCTURE OF ACYLENZYME INTERMEDIATE OF DE NOVO DESIGNED CYSTEINE ESTERASE ECH13, Northeast Structural Genomics Consortium Target OR51
分子名称: GLYCEROL, artificial protein OR51
著者Kuzin, A, Su, M, Seetharaman, J, Sahdev, S, Xiao, R, Kohan, E, Richter, F, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2011-09-29
公開日2011-10-26
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献CRYSTAL STRUCTURE OF ACYLENZYME INTERMEDIATE OF DE NOVO DESIGNED CYSTEINE ESTERASE ECH13, Northeast Structural Genomics Consortium Target OR51
To be Published
3DQS
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BU of 3dqs by Molmil
Structure of endothelial NOS heme domain in complex with a inhibitor (+-)-N1-{cis-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(4'-chlorobenzyl)ethane-1,2-diamine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLATE ION, ...
著者Igarashi, J, Li, H, Poulos, T.L.
登録日2008-07-09
公開日2009-03-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Crystal structures of constitutive nitric oxide synthases in complex with de novo designed inhibitors.
J.Med.Chem., 52, 2009
3DQT
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BU of 3dqt by Molmil
Structure of endothelial NOS heme domain in complex with a inhibitor (+-)-N1-{trans-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-chlorobenzyl)ethane-1,2-diamine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLATE ION, ...
著者Igarashi, J, Li, H, Poulos, T.L.
登録日2008-07-09
公開日2009-03-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Crystal structures of constitutive nitric oxide synthases in complex with de novo designed inhibitors.
J.Med.Chem., 52, 2009
3DQR
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BU of 3dqr by Molmil
Structure of neuronal NOS D597N/M336V mutant heme domain in complex with a inhibitor (+-)-N1-{cis-4'-[(6"-aminopyridin-2"-yl)methyl]pyrrolidin-3'-yl}ethane-1,2-diamine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine, ...
著者Igarashi, J, Li, H, Poulos, T.L.
登録日2008-07-09
公開日2009-03-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of constitutive nitric oxide synthases in complex with de novo designed inhibitors.
J.Med.Chem., 52, 2009
7BWN
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BU of 7bwn by Molmil
Crystal Structure of a Designed Protein Heterocatenane
分子名称: Cellular tumor antigen p53, Chimera of Green fluorescent protein and p53dim
著者Liu, Y.J, Duan, Z.L, Fang, J, Zhang, F, Xiao, J.Y, Zhang, W.B.
登録日2020-04-15
公開日2020-06-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.396 Å)
主引用文献Cellular Synthesis and X-ray Crystal Structure of a Designed Protein Heterocatenane.
Angew.Chem.Int.Ed.Engl., 59, 2020
7TEP
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BU of 7tep by Molmil
Crystal structure of a Cu-bound cytochrome cb562 variant in the presence of reductant
分子名称: COPPER (II) ION, HEME C, Soluble cytochrome b562
著者Kakkis, A, Golub, E.
登録日2022-01-05
公開日2022-06-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Redox- and metal-directed structural diversification in designed metalloprotein assemblies.
Chem.Commun.(Camb.), 58, 2022
7SU2
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BU of 7su2 by Molmil
Crystal structure of a Co-bound RIDC1 variant
分子名称: COBALT (II) ION, HEME C, Soluble cytochrome b562
著者Golub, E, Kakkis, A.
登録日2021-11-15
公開日2022-06-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Redox- and metal-directed structural diversification in designed metalloprotein assemblies.
Chem.Commun.(Camb.), 58, 2022
2HEO
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BU of 2heo by Molmil
General Structure-Based Approach to the Design of Protein Ligands: Application to the Design of Kv1.2 Potassium Channel Blockers.
分子名称: 5'-D(*TP*CP*GP*CP*GP*CP*G)-3', Z-DNA binding protein 1
著者Magis, C, Gasparini, S, Charbonnier, J.B, Stura, E, Le Du, M.H, Menez, A, Cuniasse, P.
登録日2006-06-21
公開日2006-11-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-based secondary structure-independent approach to design protein ligands: Application to the design of Kv1.2 potassium channel blockers.
J.Am.Chem.Soc., 128, 2006
2NBS
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BU of 2nbs by Molmil
Backbone 1H, 13C, and 15N Chemical Shift Assignments for designed protein E_1r26
分子名称: E_1r26
著者Zhou, X.
登録日2016-03-12
公開日2016-10-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Backbone 1H, 13C, and 15N Chemical Shift Assignments for designed protein E_1r26
To be Published
4P6L
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BU of 4p6l by Molmil
Crystal Structure of the Computationally Designed Transmembrane Metallotransporter in Octyl Glucoside
分子名称: Computationally Designed Transporter of Zn(II) and proton
著者Joh, N.H, Acharya, R, DeGrado, W.F.
登録日2014-03-25
公開日2014-12-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.803 Å)
主引用文献De novo design of a transmembrane Zn2+-transporting four-helix bundle.
Science, 346, 2014
1EDQ
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BU of 1edq by Molmil
CRYSTAL STRUCTURE OF CHITINASE A FROM S. MARCESCENS AT 1.55 ANGSTROMS
分子名称: CHITINASE A
著者Papanikolau, Y, Petratos, K.
登録日2000-01-28
公開日2000-02-18
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献De novo purification scheme and crystallization conditions yield high-resolution structures of chitinase A and its complex with the inhibitor allosamidin.
Acta Crystallogr.,Sect.D, 59, 2003
1EKY
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BU of 1eky by Molmil
MODEL STRUCTURE FROM NON-NOE BASED NMR STRUCTURE CALCULATION
分子名称: CYTOCHROME C', PROTOPORPHYRIN IX CONTAINING FE
著者Hus, J.C, Marion, D, Blackledge, M.
登録日2000-03-10
公開日2000-03-17
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献De novo determination of protein structure by NMR using orientational and long-range order restraints.
J.Mol.Biol., 298, 2000

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