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2RB8
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BU of 2rb8 by Molmil
High resolution design of a protein loop
分子名称: Tenascin
著者Hu, X, Wang, H, Ke, H, Kuhlman, B.
登録日2007-09-18
公開日2007-11-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献High-resolution design of a protein loop.
Proc.Natl.Acad.Sci.Usa, 104, 2007
3VBT
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BU of 3vbt by Molmil
Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
分子名称: 4-chloro-2-(1H-pyrazol-3-yl)phenol, Serine/threonine-protein kinase pim-1
著者Liu, J.
登録日2012-01-02
公開日2012-03-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
6LDW
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BU of 6ldw by Molmil
Structure of antibody C9 in complex with methylated peptide
分子名称: CHLORIDE ION, Fab heavy chain, Fab light chain, ...
著者Caaveiro, J.M.M, Tsumoto, K.
登録日2019-11-23
公開日2020-11-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis for antigen recognition by methylated lysine-specific antibodies.
J.Biol.Chem., 296, 2020
3VC4
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BU of 3vc4 by Molmil
Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
分子名称: (5Z)-5-[3-(trifluoromethyl)benzylidene]-1,3-thiazolidine-2,4-dione, IMIDAZOLE, Serine/threonine-protein kinase pim-1
著者Liu, J.
登録日2012-01-03
公開日2012-03-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
6OV9
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BU of 6ov9 by Molmil
Coiled-coil Trimer with Glu:p-nitrophenylalanine:Lys Triad
分子名称: Coiled-coil Trimer with Glu:p-nitrophenylalanine:Lys Triad
著者Smith, M.S, Stern, K.L, Billings, W.M, Price, J.L.
登録日2019-05-07
公開日2020-04-29
最終更新日2020-05-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Context-Dependent Stabilizing Interactions among Solvent-Exposed Residues along the Surface of a Trimeric Helix Bundle.
Biochemistry, 59, 2020
6OVS
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BU of 6ovs by Molmil
Coiled-coil Trimer with Glu:Tyr:Lys Triad
分子名称: Coiled-coil Trimer with Glu:Tyr:Lys Triad, PENTAETHYLENE GLYCOL
著者Smith, M.S, Stern, K.L, Billings, W.M, Price, J.L.
登録日2019-05-08
公開日2020-04-29
最終更新日2020-05-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Context-Dependent Stabilizing Interactions among Solvent-Exposed Residues along the Surface of a Trimeric Helix Bundle.
Biochemistry, 59, 2020
6LDV
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BU of 6ldv by Molmil
Structure antibody F9 in complex with methylated peptide
分子名称: Fab heavy chain, Fab light chain, GLY-M3L-GLY-GLY-THR-TYR-PRO, ...
著者Caaveiro, J.M.M, Tsumoto, K.
登録日2019-11-23
公開日2020-11-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for antigen recognition by methylated lysine-specific antibodies.
J.Biol.Chem., 296, 2020
6OSD
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BU of 6osd by Molmil
Coiled-coil Trimer with Glu:Phe:Lys Triad
分子名称: Coiled-coil Trimer with Glu:Phe:Lys Triad
著者Smith, M.S, Stern, K.L, Billings, W.M, Price, J.L.
登録日2019-05-01
公開日2020-04-29
最終更新日2020-05-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Context-Dependent Stabilizing Interactions among Solvent-Exposed Residues along the Surface of a Trimeric Helix Bundle.
Biochemistry, 59, 2020
6OLO
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BU of 6olo by Molmil
Controlling the Self-Assembly of Synthetic Metal-Coordinating Coiled-Coil Peptides: Hexagonal Lattice from a Trimeric Coiled Coil
分子名称: COPPER (II) ION, Designed trimeric coiled coil peptide
著者Schieb, K.A, Horne, W.S.
登録日2019-04-16
公開日2020-03-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Understanding and controlling the metal-directed assembly of terpyridine-functionalized coiled-coil peptides.
Chem.Commun.(Camb.), 55, 2019
2RLZ
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BU of 2rlz by Molmil
Solid-State MAS NMR structure of the dimer Crh
分子名称: HPr-like protein crh
著者Loquet, A, Bardiaux, B, Gardiennet, C, Blanchet, C, Baldus, M, Nilges, M, Malliavin, T, Bockmann, A.
登録日2007-09-04
公開日2008-06-17
最終更新日2024-05-29
実験手法SOLID-STATE NMR
主引用文献3D structure determination of the Crh protein from highly ambiguous solid-state NMR restraints.
J.Am.Chem.Soc., 130, 2008
3VBV
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BU of 3vbv by Molmil
Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
分子名称: 8-hydroxyquinoline-2-carboxamide, Serine/threonine-protein kinase pim-1
著者Liu, J.
登録日2012-01-02
公開日2012-03-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
6OVV
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BU of 6ovv by Molmil
Coiled-coil Trimer with Glu:4-pyridinylalanine:Lys Triad
分子名称: Coiled-coil Trimer with Glu:4-pyridinylalanine:Lys Triad
著者Smith, M.S, Stern, K.L, Billings, W.M, Price, J.L.
登録日2019-05-08
公開日2020-04-29
最終更新日2020-05-20
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献Context-Dependent Stabilizing Interactions among Solvent-Exposed Residues along the Surface of a Trimeric Helix Bundle.
Biochemistry, 59, 2020
3VBQ
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BU of 3vbq by Molmil
Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
分子名称: (5~{Z})-5-[[3-[6-[(4-azanylcyclohexyl)amino]pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione, Serine/threonine-protein kinase pim-1
著者Liu, J.
登録日2012-01-02
公開日2012-03-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
7YTO
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BU of 7yto by Molmil
The Crystal Structure Analysis of Creatine Amidinohydrolase from Alcaligenes sp. KS-85
分子名称: Creatine amidinohydrolase
著者Chen, R.S.
登録日2022-08-15
公開日2023-08-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Creatinase: Using Increased Entropy to Improve the Activity and Thermostability.
J.Phys.Chem.B, 127, 2023
3VBY
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BU of 3vby by Molmil
Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
分子名称: IMIDAZOLE, Serine/threonine-protein kinase pim-1, furan-2-yl(1H-indol-3-yl)methanone
著者Liu, J.
登録日2012-01-02
公開日2012-03-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
5I8B
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BU of 5i8b by Molmil
CBP in complex with Cpd23 ((R)-6-(3-(benzyloxy)phenyl)-4-methyl-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one)
分子名称: (4R)-6-[3-(benzyloxy)phenyl]-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Murray, J.M.
登録日2016-02-18
公開日2016-04-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.5218 Å)
主引用文献Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
6LRB
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BU of 6lrb by Molmil
The A form apo structure of NrS-1 C terminal region-CTR
分子名称: MAGNESIUM ION, Primase
著者Chen, X, Gan, J.
登録日2020-01-15
公開日2020-04-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural studies reveal a ring-shaped architecture of deep-sea vent phage NrS-1 polymerase.
Nucleic Acids Res., 48, 2020
6LT0
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BU of 6lt0 by Molmil
cryo-EM structure of C9ORF72-SMCR8-WDR41
分子名称: Guanine nucleotide exchange C9orf72, Guanine nucleotide exchange protein SMCR8, WD repeat-containing protein 41
著者Tang, D, Sheng, J, Xu, L, Zhan, X, Yan, C, Qi, S.
登録日2020-01-21
公開日2020-04-15
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structure of C9ORF72-SMCR8-WDR41 reveals the role as a GAP for Rab8a and Rab11a.
Proc.Natl.Acad.Sci.USA, 117, 2020
7Q3K
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BU of 7q3k by Molmil
Computationally designed thioredoxin subjected to stability optimizing mutations.
分子名称: SULFATE ION, eMM9
著者Norrild, R.K, Johansson, K.E, O'Shea, C, Lindorff-Larsen, K, Winther, J.R, Morth, J.P.
登録日2021-10-27
公開日2022-11-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Increasing protein stability by inferring substitution effects from high-throughput experiments.
Cell Rep Methods, 2, 2022
4V7Q
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BU of 4v7q by Molmil
Atomic model of an infectious rotavirus particle
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Core scaffold protein, ...
著者Settembre, E.C, Chen, J.Z, Dormitzer, P.R, Grigorieff, N, Harrison, S.C.
登録日2010-05-13
公開日2014-07-09
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Atomic model of an infectious rotavirus particle.
Embo J., 30, 2011
6M2V
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BU of 6m2v by Molmil
Crystal structure of UHRF1 SRA complexed with fully-mCHG DNA.
分子名称: DNA (5'-D(*TP*CP*AP*CP*GP*(5CM)P*TP*GP*CP*GP*TP*GP*A)-3'), E3 ubiquitin-protein ligase UHRF1
著者Abhishek, S, Nakarakanti, N.K, Deeksha, W, Rajakumara, E.
登録日2020-03-01
公開日2021-01-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Mechanistic insights into recognition of symmetric methylated cytosines in CpG and non-CpG DNA by UHRF1 SRA.
Int.J.Biol.Macromol., 170, 2021
6PA7
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BU of 6pa7 by Molmil
The cryo-EM structure of the human DNMT3A2-DNMT3B3 complex bound to nucleosome.
分子名称: CHLORIDE ION, DNA (167-MER), DNA (cytosine-5)-methyltransferase 3A, ...
著者Xu, T.H, Liu, M, Zhou, X.E, Liang, G, Zhao, G, Xu, H.E, Melcher, K, Jones, P.A.
登録日2019-06-11
公開日2020-06-17
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (2.94 Å)
主引用文献Structure of nucleosome-bound DNA methyltransferases DNMT3A and DNMT3B.
Nature, 586, 2020
6G65
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BU of 6g65 by Molmil
Crystal structure of a parallel six-helix coiled coil CC-Type2-VV
分子名称: CC-Type2-VV
著者Rhys, G.G, Brady, R.L, Woolfson, D.N.
登録日2018-04-01
公開日2018-10-17
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Maintaining and breaking symmetry in homomeric coiled-coil assemblies.
Nat Commun, 9, 2018
6G6C
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BU of 6g6c by Molmil
Crystal structure of a parallel six-helix coiled coil CC-Type2-LL-L17E
分子名称: CC-Type2-LL-L17E
著者Rhys, G.G, Brady, R.L, Woolfson, D.N.
登録日2018-04-01
公開日2018-10-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Maintaining and breaking symmetry in homomeric coiled-coil assemblies.
Nat Commun, 9, 2018
6FP9
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BU of 6fp9 by Molmil
Crystal structure of anti-mTFP1 DARPin 1238_E11
分子名称: 1,2-ETHANEDIOL, DARPin 1238_E11, SULFATE ION
著者Jakob, R.P, Vigano, M.A, Bieli, D, Matsuda, S, Schaefer, J.V, Pluckthun, A, Affolter, M, Maier, T.
登録日2018-02-09
公開日2018-10-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献DARPins recognizing mTFP1 as novel reagents forin vitroandin vivoprotein manipulations.
Biol Open, 7, 2018

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