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3S6O
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BU of 3s6o by Molmil
Crystal structure of a Polysaccharide deacetylase family protein from Burkholderia pseudomallei
分子名称: 1,2-ETHANEDIOL, Polysaccharide deacetylase family protein
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-05-25
公開日2011-06-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of a Polysaccharide deacetylase family protein from Burkholderia pseudomallei
To be Published
4IBC
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BU of 4ibc by Molmil
Ebola virus VP35 bound to small molecule
分子名称: DIMETHYL SULFOXIDE, Polymerase cofactor VP35, {4-[(2R)-3-(2-chlorobenzoyl)-2-(2-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid
著者Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K.
登録日2012-12-08
公開日2014-03-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.745 Å)
主引用文献In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
3SGN
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BU of 3sgn by Molmil
Bromoderivative-8 of amyloid-related segment of alphaB-crystallin residues 90-100
分子名称: Alpha-crystallin B chain
著者Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D.
登録日2011-06-15
公開日2012-03-21
実験手法X-RAY DIFFRACTION (2.807 Å)
主引用文献Atomic view of a toxic amyloid small oligomer.
Science, 335, 2012
4IBS
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BU of 4ibs by Molmil
Human p53 core domain with hot spot mutation R273H (form I)
分子名称: 1,2-ETHANEDIOL, Cellular tumor antigen p53, ZINC ION
著者Rozenberg, H, Eldar, A, Diskin-Posner, Y, Shakked, Z.
登録日2012-12-09
公開日2013-08-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structural studies of p53 inactivation by DNA-contact mutations and its rescue by suppressor mutations via alternative protein-DNA interactions.
Nucleic Acids Res., 41, 2013
3SHV
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BU of 3shv by Molmil
Crystal structure of human MCPH1 tandem BRCT domains-gamma H2AX complex
分子名称: Histone H2A.x, Microcephalin
著者Shao, Z.H, Li, F.D, Yan, W.
登録日2011-06-17
公開日2011-12-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Specific recognition of phosphorylated tail of H2AX by the tandem BRCT domains of MCPH1 revealed by complex structure
J.Struct.Biol., 177, 2012
4E5J
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BU of 4e5j by Molmil
Crystal structure of avian influenza virus PAn bound to compound 5
分子名称: 2-[3-(acetylamino)phenyl]-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid, MANGANESE (II) ION, Polymerase protein PA, ...
著者DuBois, R.M, Slavish, P.J, Webb, T.R, White, S.W.
登録日2012-03-14
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural and Biochemical Basis for Development of Influenza Virus Inhibitors Targeting the PA Endonuclease.
Plos Pathog., 8, 2012
2PT7
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BU of 2pt7 by Molmil
Crystal structure of Cag VirB11 (HP0525) and an inhibitory protein (HP1451)
分子名称: Cag-alfa, Hypothetical protein
著者Hare, S, Fischer, W, Williams, R, Terradot, L, Bayliss, R, Haas, R, Waksman, G.
登録日2007-05-08
公開日2007-11-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Identification, structure and mode of action of a new regulator of the Helicobacter pylori HP0525 ATPase.
Embo J., 26, 2007
4IHH
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BU of 4ihh by Molmil
Chasing Acyl Carrier Protein Through a Catalytic Cycle of Lipid A Production
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4'-PHOSPHOPANTETHEINE, Acyl carrier protein, ...
著者Masoudi, A, Raetz, C.R.H, Pemble, C.W.
登録日2012-12-18
公開日2013-11-13
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.132 Å)
主引用文献Chasing acyl carrier protein through a catalytic cycle of lipid A production.
Nature, 505, 2014
3SK5
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BU of 3sk5 by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS V39D at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Robinson, A.C, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B.
登録日2011-06-22
公開日2011-07-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of Staphylococcal nuclease variant Delta+PHS V39D at cryogenic temperature
To be Published
3SJH
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Crystal Structure of a chimera containing the N-terminal domain (residues 8-29) of drosophila Ciboulot and the C-terminal domain (residues 18-44) of bovine Thymosin-beta4, bound to G-actin-ATP-Latrunculin A
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Renault, L, Husson, C, Carlier, M.F, Didry, D.
登録日2011-06-21
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献How a single residue in individual beta-thymosin/WH2 domains controls their functions in actin assembly
Embo J., 31, 2012
4EWO
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BU of 4ewo by Molmil
Design and synthesis of potent hydroxyethylamine (hea) bace-1 inhibitors
分子名称: Beta-secretase 1, N-[(2S,3R)-4-{[(4S)-2-(2,2-dimethylpropyl)-6,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide
著者Borkakoti, N, Lindberg, J, Derbyshire, D.
登録日2012-04-27
公開日2012-10-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design and synthesis of potent hydroxyethylamine (HEA) BACE-1 inhibitors carrying prime side 4,5,6,7-tetrahydrobenzazole and 4,5,6,7-tetrahydropyridinoazole templates.
Bioorg.Med.Chem.Lett., 22, 2012
3SLT
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BU of 3slt by Molmil
Pre-cleavage Structure of the Autotransporter EspP - N1023S Mutant
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Serine protease espP
著者Barnard, T.B, Noinaj, N, Easley, N.C, Kuszak, A.J, Buchanan, S.K.
登録日2011-06-25
公開日2011-11-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Molecular basis for the activation of a catalytic asparagine residue in a self-cleaving bacterial autotransporter.
J.Mol.Biol., 415, 2012
3SK4
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BU of 3sk4 by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS D21N/V23E at cryogenic temperature
分子名称: THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Robinson, A.C, Schlessman, J.L, Garcia-Moreno E, B.
登録日2011-06-22
公開日2011-07-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of Staphylococcal nuclease variant Delta+PHS D21N/V23E at cryogenic temperature
To be Published
4E8G
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BU of 4e8g by Molmil
Crystal structure of an enolase (mandelate racemase subgroup) from paracococus denitrificans pd1222 (target nysgrc-012907) with bound mg
分子名称: MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme, N-terminal domain protein, ...
著者Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Sojitra, S, Chamala, S, Kar, A, Lafleur, J, Villigas, G, Evans, B, Hammonds, J, Gizzi, A, Zencheck, W.D, Hillerich, B, Love, J, Seidel, R.D, Bonanno, J.B, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2012-03-20
公開日2012-05-02
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Prediction and biochemical demonstration of a catabolic pathway for the osmoprotectant proline betaine.
MBio, 5, 2014
2PXW
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BU of 2pxw by Molmil
Crystal Structure of N66D Mutant of Green Fluorescent Protein from Zoanthus sp. at 2.4 A Resolution (Transition State)
分子名称: GFP-like fluorescent chromoprotein FP506
著者Pletnev, S.V, Pletneva, N.V, Tikhonova, T.V, Pletnev, V.Z.
登録日2007-05-14
公開日2007-09-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Refined crystal structures of red and green fluorescent proteins from the button polyp Zoanthus.
Acta Crystallogr.,Sect.D, 63, 2007
4DRP
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BU of 4drp by Molmil
Evaluation of Synthetic FK506 Analogs as Ligands for the FK506-Binding Proteins 51 and 52: Complex of FKBP51 with 2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(2-((1R,2S)-2-ethyl-1-hydroxy-cyclohexyl)-2-oxoacetyl)piperidine-2-carbonyloxy)propyl)phenoxy)acetic acid from cocrystallization
分子名称: Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1R,2S)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid
著者Gopalakrishnan, R, Kozany, C, Gaali, S, Kress, C, Hoogeland, B, Bracher, A, Hausch, F.
登録日2012-02-17
公開日2012-05-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Evaluation of Synthetic FK506 Analogues as Ligands for the FK506-Binding Proteins 51 and 52.
J.Med.Chem., 55, 2012
4IJE
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BU of 4ije by Molmil
Crystal structure of the Zaire ebolavirus VP35 interferon inhibitory domain R312A/K319A/R322A mutant
分子名称: PHOSPHATE ION, POTASSIUM ION, Polymerase cofactor VP35, ...
著者Binning, J.B, Wang, T, Leung, D.W, Xu, W, Borek, D, Amarasinghe, G.K.
登録日2012-12-21
公開日2013-10-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.899 Å)
主引用文献Development of RNA Aptamers Targeting Ebola Virus VP35.
Biochemistry, 52, 2013
4DZ7
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BU of 4dz7 by Molmil
hCA II in complex with novel sulfonamide inhibitors Set D
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ...
著者Aggarwal, M, McKenna, R.
登録日2012-02-29
公開日2013-03-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.491 Å)
主引用文献hCA II in complex with novel sulfonamide inhibitors Set D
To be Published
4DS2
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Ubiquitin conjugating enzyme (putative) from Trypanosoma cruzi
分子名称: Ubiquitin-conjugating enzyme E2, putative
著者Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
登録日2012-02-17
公開日2012-02-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Ubiquitin conjugating enzyme (putative) from Trypanosoma cruzi
To be Published
3DX8
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BU of 3dx8 by Molmil
Crystal Structure of B*4405 presenting a 10mer EBV epitope
分子名称: Beta-2-microglobulin, EBV decapeptide epitope, GLYCEROL, ...
著者Archbold, J.K, Ely, L.K, Rossjohn, J.
登録日2008-07-23
公開日2009-01-27
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Natural micropolymorphism in human leukocyte antigens provides a basis for genetic control of antigen recognition.
J.Exp.Med., 206, 2009
3SMB
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BU of 3smb by Molmil
Phenethylisothiocyanate Covalently Bound to Macrophage Migration Inhibitory Factor (MIF)
分子名称: CHLORIDE ION, Macrophage migration inhibitory factor, N-(2-phenylethyl)thioformamide, ...
著者Crichlow, G.V, Lolis, E.J.
登録日2011-06-27
公開日2012-10-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural interactions dictate the kinetics of macrophage migration inhibitory factor inhibition by different cancer-preventive isothiocyanates.
Biochemistry, 51, 2012
4IKD
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BU of 4ikd by Molmil
Crystal structure of SNX11 PX domain
分子名称: CHLORIDE ION, SODIUM ION, Sorting nexin-11
著者Xu, J, Xu, T, Liu, J.
登録日2012-12-26
公開日2013-04-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of Sorting Nexin 11 (SNX11) Reveals a Novel Extended PX Domain (PXe Domain) Critical for the Inhibition of Sorting Nexin 10 (SNX10) Induced Vacuolation
to be published
4E0K
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Crystal Structure of the amyloid-fibril forming peptide KDWSFY derived from human Beta 2 Microglobulin (58-63)
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Amyloidogenic peptide segment KDWSFY, SODIUM ION
著者Zhao, M, Liu, C, Sawaya, M.R, Eisenberg, D.
登録日2012-03-04
公開日2012-12-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献Out-of-register beta-sheets suggest a pathway to toxic amyloid aggregates.
Proc.Natl.Acad.Sci.USA, 109, 2012
4DSE
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BU of 4dse by Molmil
Ternary complex of Bacillus DNA Polymerase I Large Fragment F710Y, DNA duplex, and rCTP (paired with dG of template) in presence of Mg2+
分子名称: CYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*TP*GP*GP*GP*AP*GP*TP*CP*AP*GP*G)-3'), DNA (5'-D(*CP*CP*TP*GP*AP*CP*TP*CP*(DOC))-3'), ...
著者Wang, W, Beese, L.S.
登録日2012-02-18
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structural factors that determine selectivity of a high fidelity DNA polymerase for deoxy-, dideoxy-, and ribonucleotides.
J.Biol.Chem., 287, 2012
3SMZ
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BU of 3smz by Molmil
Human raver1 RRM1-3 domains (residues 39-320)
分子名称: Ribonucleoprotein PTB-binding 1, SULFATE ION
著者Rangarajan, E.S, Lee, J.H, Izard, T.
登録日2011-06-28
公開日2011-08-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Apo raver1 structure reveals distinct RRM domain orientations.
Protein Sci., 20, 2011

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