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4CBO
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BU of 4cbo by Molmil
Crystal structure of Complement Factor D mutant R202A after ensemble refinement
分子名称: COMPLEMENT FACTOR D, GLYCEROL
著者Forneris, F, Burnley, B.T, Gros, P.
登録日2013-10-15
公開日2013-12-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Ensemble Refinement Shows Conformational Flexibility in Crystal Structures of Human Complement Factor D
Acta Crystallogr.,Sect.D, 70, 2014
3T2M
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BU of 3t2m by Molmil
Crystal Structure of NaK Channel N68D Mutant
分子名称: POTASSIUM ION, Potassium channel protein
著者Sauer, D.B, Zeng, W, Raghunathan, S, Jiang, Y.
登録日2011-07-22
公開日2011-10-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.953 Å)
主引用文献Protein interactions central to stabilizing the K+ channel selectivity filter in a four-sited configuration for selective K+ permeation.
Proc.Natl.Acad.Sci.USA, 108, 2011
3R3L
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BU of 3r3l by Molmil
Structure of NP protein from Lassa AV strain
分子名称: MANGANESE (II) ION, Nucleoprotein, ZINC ION
著者Perbandt, M, Brunotte, L, Gunther, S, Betzel, C.
登録日2011-03-16
公開日2011-09-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.449 Å)
主引用文献Structure of the Lassa virus nucleoprotein revealed by X-ray crystallography, small-angle X-ray scattering, and electron microscopy.
J.Biol.Chem., 286, 2011
3RCJ
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BU of 3rcj by Molmil
Rapid preparation of triazolyl substituted NH-heterocyclic kinase inhibitors via one-pot Sonogashira coupling TMS-deprotection CuAAC sequence
分子名称: 3-(1-benzyl-1H-1,2,3-triazol-4-yl)-1H-pyrrolo[2,3-b]pyridine, 3-phosphoinositide-dependent protein kinase 1
著者Graedler, U, Dorsch, D, Merkul, E, Klukas, F, Sirrenberg, C, Greiner, H.E, Mueller, T.J.J.
登録日2011-03-31
公開日2011-06-15
最終更新日2012-12-05
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Rapid preparation of triazolyl substituted NH-heterocyclic kinase inhibitors via one-pot Sonogashira coupling-TMS-deprotection-CuAAC sequence.
Org.Biomol.Chem., 9, 2011
3R01
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BU of 3r01 by Molmil
The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors
分子名称: 5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase pim-1
著者Liu, J.
登録日2011-03-07
公開日2011-05-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3R3C
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BU of 3r3c by Molmil
Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant H64A complexed with 4-hydroxyphenacyl CoA
分子名称: 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase
著者Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D.
登録日2011-03-15
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU.
Biochemistry, 51, 2012
7BVS
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BU of 7bvs by Molmil
DfgA-DfgB complex apo
分子名称: DfgB, GLYCEROL, MANGANESE (II) ION, ...
著者Mori, T, He, H, Abe, I.
登録日2020-04-11
公開日2021-04-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献C-Glycoside metabolism in the gut and in nature: Identification, characterization, structural analyses and distribution of C-C bond-cleaving enzymes.
Nat Commun, 12, 2021
3U67
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BU of 3u67 by Molmil
Crystal structure of the N-terminal domain of Hsp90 from Leishmania major(LmjF33.0312)in complex with ADP
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Heat shock protein 83-1, ...
著者Pizarro, J.C, Wernimont, A.K, Hutchinson, A, Mackenzie, F, Fairlamb, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Ferguson, M.A.J, Hui, R, Hills, T, Structural Genomics Consortium (SGC)
登録日2011-10-12
公開日2012-05-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Exploring the Trypanosoma brucei Hsp83 potential as a target for structure guided drug design.
PLoS Negl Trop Dis, 7, 2013
3U8N
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BU of 3u8n by Molmil
Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3950 (1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane)
分子名称: 1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine-binding protein, ...
著者Rohde, L.A.H, Ahring, P.K, Jensen, M.L, Nielsen, E.O, Peters, D, Helgstrand, C, Krintel, C, Harpsoe, K, Gajhede, M, Kastrup, J.S, Balle, T.
登録日2011-10-17
公開日2011-12-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Intersubunit bridge formation governs agonist efficacy at nicotinic acetylcholine alpha 4 beta 2 receptors: unique role of halogen bonding revealed.
J.Biol.Chem., 287, 2012
3RBM
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BU of 3rbm by Molmil
Crystal structure of Plasmodium vivax geranylgeranylpyrophosphate synthase complexed with BPH -703
分子名称: 3-(2,2-diphosphonoethyl)-1-dodecyl-1H-imidazol-3-ium, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
著者Liu, Y.L, No, J.H, Oldfield, E.
登録日2011-03-29
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Lipophilic analogs of zoledronate and risedronate inhibit Plasmodium geranylgeranyl diphosphate synthase (GGPPS) and exhibit potent antimalarial activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
4FO0
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BU of 4fo0 by Molmil
Human actin-related protein Arp8 in its ATP-bound state
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Actin-related protein 8, CHLORIDE ION, ...
著者Gerhold, C.B, Lakomek, K, Seifert, F.U, Hopfner, K.-P.
登録日2012-06-20
公開日2012-09-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of Actin-related protein 8 and its contribution to nucleosome binding.
Nucleic Acids Res., 40, 2012
3R37
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BU of 3r37 by Molmil
Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant E73Q complexed with 4-hydroxyphenacyl CoA
分子名称: 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase
著者Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D.
登録日2011-03-15
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU.
Biochemistry, 51, 2012
3RHK
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BU of 3rhk by Molmil
Crystal structure of the catalytic domain of c-Met kinase in complex with ARQ 197
分子名称: 1-[(3R,4R)-4-(1H-indol-3-yl)-2,5-dioxopyrrolidin-3-yl]pyrrolo[3,2,1-ij]quinolinium, Hepatocyte growth factor receptor
著者Eathiraj, S, Palma, R, Volckova, E, Hirschi, M, France, D.S, Ashwell, M.A, Chan, T.C.
登録日2011-04-11
公開日2011-04-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Discovery of a novel mode of protein kinase inhibition characterized by the mechanism of inhibition of human mesenchymal-epithelial transition factor (c-Met) protein autophosphorylation by ARQ 197.
J.Biol.Chem., 286, 2011
3T1C
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BU of 3t1c by Molmil
Crystal Structure of NaK Channel D66Y Mutant
分子名称: POTASSIUM ION, Potassium channel protein
著者Sauer, D.B, Zeng, W, Raghunathan, S, Jiang, Y.
登録日2011-07-21
公開日2011-10-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献Protein interactions central to stabilizing the K+ channel selectivity filter in a four-sited configuration for selective K+ permeation.
Proc.Natl.Acad.Sci.USA, 108, 2011
3T3J
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BU of 3t3j by Molmil
1.70 A structure of Friedreich's ataxia frataxin variant N146K
分子名称: Frataxin, mitochondrial
著者Bridwell-Rabb, J, Winn, A.M, Barondeau, D.P.
登録日2011-07-25
公開日2011-08-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-Function Analysis of Friedreich's Ataxia Mutants Reveals Determinants of Frataxin Binding and Activation of the Fe-S Assembly Complex.
Biochemistry, 50, 2011
3SRC
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BU of 3src by Molmil
Structure of Pseudomonas aeruginosa PvdQ bound to NS2028
分子名称: 1,2-ETHANEDIOL, 8-bromo-4H-[1,2,4]oxadiazolo[3,4-c][1,4]benzoxazin-1-one, Acyl-homoserine lactone acylase pvdQ
著者Gulick, A.M, Drake, E.J.
登録日2011-07-07
公開日2011-09-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Characterization and High-Throughput Screening of Inhibitors of PvdQ, an NTN Hydrolase Involved in Pyoverdine Synthesis.
Acs Chem.Biol., 6, 2011
7YK1
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BU of 7yk1 by Molmil
Structural basis of human PRPS2 filaments
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
著者Lu, G.M, Hu, H.H, Liu, J.L.
登録日2022-07-21
公開日2023-08-02
最終更新日2023-09-20
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Structural basis of human PRPS2 filaments.
Cell Biosci, 13, 2023
3SRA
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BU of 3sra by Molmil
Structure of Pseudomonas aerugionsa PvdQ covalently acylated with myristic acid from PVDIq
分子名称: 1,2-ETHANEDIOL, Acyl-homoserine lactone acylase PvdQ subunit alpha, Acyl-homoserine lactone acylase PvdQ subunit beta, ...
著者Gulick, A.M, Drake, E.J.
登録日2011-07-07
公開日2011-09-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Characterization and High-Throughput Screening of Inhibitors of PvdQ, an NTN Hydrolase Involved in Pyoverdine Synthesis.
Acs Chem.Biol., 6, 2011
7YHP
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BU of 7yhp by Molmil
CryoEM structure of Arabidopsis ROS1 in complex with 5mC-dsDNA at 3.1 Angstroms resolution
分子名称: DNA (40-MER), IRON/SULFUR CLUSTER, Sex-determining region Y protein,REPRESSOR OF SILENCING 1,DNA glycosylase/AP lyase ROS1
著者Du, X, Du, J.
登録日2022-07-14
公開日2022-11-30
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Molecular basis of the plant ROS1-mediated active DNA demethylation.
Nat.Plants, 9, 2023
7YHQ
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BU of 7yhq by Molmil
CryoEM structure of Arabidopsis ROS1 in complex with a covalent-linked reaction intermediate at 3.9 Angstroms resolution
分子名称: DNA (40-MER), IRON/SULFUR CLUSTER, Sex-determining region Y protein,DNA glycosylase/AP lyase ROS1
著者Du, X, Du, J.
登録日2022-07-14
公開日2022-11-30
最終更新日2023-03-08
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Molecular basis of the plant ROS1-mediated active DNA demethylation.
Nat.Plants, 9, 2023
7YHO
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BU of 7yho by Molmil
CryoEM structure of Arabidopsis ROS1 in complex with TG mismatch dsDNA at 3.3 Angstroms resolution
分子名称: DNA (40-MER), IRON/SULFUR CLUSTER, Sex-determining region Y protein,DNA glycosylase/AP lyase ROS1
著者Du, X, Du, J.
登録日2022-07-14
公開日2022-11-30
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Molecular basis of the plant ROS1-mediated active DNA demethylation.
Nat.Plants, 9, 2023
3T4D
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BU of 3t4d by Molmil
Crystal Structure of NaK2K Channel Y55F Mutant
分子名称: POTASSIUM ION, Potassium channel protein
著者Sauer, D.B, Zeng, W, Raghunathan, S, Jiang, Y.
登録日2011-07-25
公開日2011-10-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Protein interactions central to stabilizing the K+ channel selectivity filter in a four-sited configuration for selective K+ permeation.
Proc.Natl.Acad.Sci.USA, 108, 2011
4E90
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BU of 4e90 by Molmil
Human phosphodiesterase 9 in complex with inhibitors
分子名称: 6-[(3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
著者Liu, S.
登録日2012-03-20
公開日2013-02-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors.
J.Med.Chem., 55, 2012
3TRZ
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BU of 3trz by Molmil
Mouse Lin28A in complex with let-7d microRNA pre-element
分子名称: Protein lin-28 homolog A, RNA (5'-R(*GP*GP*GP*CP*AP*GP*GP*GP*AP*UP*UP*UP*UP*GP*CP*CP*CP*GP*GP*AP*G)-3'), ZINC ION
著者Nam, Y, Sliz, P.
登録日2011-09-11
公開日2011-11-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Molecular Basis for Interaction of let-7 MicroRNAs with Lin28.
Cell(Cambridge,Mass.), 147, 2011
3U7X
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Crystal structure of the human eIF4E-4EBP1 peptide complex without cap
分子名称: Eukaryotic translation initiation factor 4E, Eukaryotic translation initiation factor 4E-binding protein 1, SULFATE ION, ...
著者Siddiqui, N, Tempel, W, Nedyalkova, L, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Borden, K.L.B, Park, H, Structural Genomics Consortium (SGC)
登録日2011-10-14
公開日2011-11-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Insights into the Allosteric Effects of 4EBP1 on the Eukaryotic Translation Initiation Factor eIF4E.
J.Mol.Biol., 415, 2012

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