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1YH5
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BU of 1yh5 by Molmil
Solution NMR Structure of Protein yggU from Escherichia coli. Northeast Structural Genomics Consortium Target ER14.
分子名称: ORF, HYPOTHETICAL PROTEIN
著者Aramini, J.M, Xiao, R, Huang, Y.J, Acton, T.B, Wu, M.J, Mills, J.L, Tejero, R.T, Szyperski, T, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2005-01-06
公開日2005-02-01
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution Structure of the Hypothetical Protein Yggu from E. Coli. Northeast Structural Genomics Consortium Target Er14.
To be Published
5ENK
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BU of 5enk by Molmil
Compound 18
分子名称: (4~{S},6~{S})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine, Beta-secretase 1, GLYCEROL, ...
著者Lewis, H.A.
登録日2015-11-09
公開日2016-07-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Targeting the BACE1 Active Site Flap Leads to a Potent Inhibitor That Elicits Robust Brain A beta Reduction in Rodents.
Acs Med.Chem.Lett., 7, 2016
5C0A
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BU of 5c0a by Molmil
1E6 TCR in complex with HLA-A02 carrying MVW peptide
分子名称: 1,2-ETHANEDIOL, 1E6 TCR Alpha Chain, 1E6 TCR Beta Chain, ...
著者Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K.
登録日2015-06-12
公開日2016-05-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity.
J.Clin.Invest., 126, 2016
5ENY
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BU of 5eny by Molmil
Ketosynthase from module 6 connected to acyl carrier protein from module 5 (unobservable) of the bacillaene synthase from Bacillus subtilis 168
分子名称: Polyketide synthase PksL
著者Wagner, D.T, Gay, D.C, Keatinge-Clay, A.T.
登録日2015-11-09
公開日2015-12-23
最終更新日2016-11-02
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献The LINKS motif zippers trans-acyltransferase polyketide synthase assembly lines into a biosynthetic megacomplex.
J.Struct.Biol., 193, 2016
5C18
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BU of 5c18 by Molmil
p97-delta709-728 in complex with ATP-gamma-S
分子名称: CHLORIDE ION, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
著者Haenzelmann, P, Schindelin, H.
登録日2015-06-13
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural Basis of ATP Hydrolysis and Intersubunit Signaling in the AAA+ ATPase p97.
Structure, 24, 2016
5UV5
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BU of 5uv5 by Molmil
Crystal Structure of a 2-Hydroxyisoquinoline-1,3-dione RNase H Active Site Inhibitor with Multiple Binding Modes to HIV Reverse Transcriptase
分子名称: 7-(furan-2-yl)-2-hydroxyisoquinoline-1,3(2H,4H)-dione, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H, ...
著者Kirby, K.A, Sarafianos, S.G.
登録日2017-02-19
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A 2-Hydroxyisoquinoline-1,3-Dione Active-Site RNase H Inhibitor Binds in Multiple Modes to HIV-1 Reverse Transcriptase.
Antimicrob. Agents Chemother., 61, 2017
5URS
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BU of 5urs by Molmil
Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Bacillus anthracis in the complex with IMP and the inhibitor P178
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Kim, Y, Maltseva, N, Makowska-Grzyska, M, Gu, M, Gollapalli, D, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-02-12
公開日2017-03-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.388 Å)
主引用文献Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Bacillus anthracis in the complex with IMP and the inhibitor P178
To Be Published
2BA0
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BU of 2ba0 by Molmil
Archaeal exosome core
分子名称: Archaeal exosome RNA binding protein RRP4, Archaeal exosome RNA binding protein RRP41, Archaeal exosome RNA binding protein RRP42
著者Buttner, K, Wenig, K, Hopfner, K.P.
登録日2005-10-13
公開日2005-11-22
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural framework for the mechanism of archaeal exosomes in RNA processing.
Mol.Cell, 20, 2005
4A8D
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BU of 4a8d by Molmil
DegP dodecamer with bound OMP
分子名称: OUTER MEMBRANE PROTEIN C, PERIPLASMIC SERINE ENDOPROTEASE DEGP
著者Malet, H, Krojer, T, Sawa, J, Schafer, E, Saibil, H.R, Ehrmann, M, Clausen, T.
登録日2011-11-20
公開日2012-01-11
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (28 Å)
主引用文献Newly Folded Substrates Inside the Molecular Cage of the Htra Chaperone Degq
Nat.Struct.Mol.Biol., 19, 2012
4ZSM
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BU of 4zsm by Molmil
BACE crystal structure with bicyclic aminothiazine fragment
分子名称: (4aS,8aR)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine, Beta-secretase 1, GLYCEROL
著者Timm, D.E.
登録日2015-05-13
公開日2015-06-10
最終更新日2015-06-17
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Preparation and biological evaluation of conformationally constrained BACE1 inhibitors.
Bioorg.Med.Chem., 23, 2015
4ZSF
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BU of 4zsf by Molmil
Crystal structure of pre-specific restriction endonuclease BsaWI-DNA complex
分子名称: BsaWI endonuclease, CALCIUM ION, DNA, ...
著者Tamulaitiene, G, Rutkauskas, M, Grazulis, S, Siksnys, V.
登録日2015-05-13
公開日2015-10-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Functional significance of protein assemblies predicted by the crystal structure of the restriction endonuclease BsaWI.
Nucleic Acids Res., 43, 2015
4A59
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BU of 4a59 by Molmil
Crystal structure of Toxoplasma gondii nucleoside triphosphate diphosphohydrolase 3 (NTPDase3) in complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, NUCLEOSIDE-TRIPHOSPHATASE 1
著者Krug, U, Zebisch, M, Straeter, N.
登録日2011-10-24
公開日2011-11-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Insight Into the Activation Mechanism of Toxoplasma Gondii Nucleoside Triphosphate Diphosphohydrolases by Disulfide Reduction.
J.Biol.Chem., 287, 2012
2B53
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BU of 2b53 by Molmil
Human cyclin dependent kinase 2 (CDK2) complexed with DIN-234325
分子名称: 6-(3-AMINOPHENYL)-N-(TERT-BUTYL)-2-(TRIFLUOROMETHYL)QUINAZOLIN-4-AMINE, Cell division protein kinase 2
著者Muckelbauer, J.
登録日2005-09-27
公開日2005-10-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Quinazolines as Cyclin Dependent Kinase Inhibitors
Bioorg.Med.Chem.Lett., 11, 2001
4ZT8
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BU of 4zt8 by Molmil
Structure of the complex of type 1 ribosome inactivating protein from Momordica balsamina with a pyrimidine base, cytosine at 1.98 A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-AMINOPYRIMIDIN-2(1H)-ONE, GLYCEROL, ...
著者Yamini, S, Pandey, S, Kaur, P, Sharma, S, Singh, T.P.
登録日2015-05-14
公開日2015-06-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Binding and structural studies of the complexes of type 1 ribosome inactivating protein fromMomordica balsaminawith cytosine, cytidine, and cytidine diphosphate.
Biochem Biophys Rep, 4, 2015
2B4G
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BU of 2b4g by Molmil
dihydroorotate dehydrogenase
分子名称: BROMIDE ION, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
著者Arakaki, T.L, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
登録日2005-09-23
公開日2005-10-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Characterization of Trypanosoma brucei dihydroorotate dehydrogenase as a possible drug target; structural, kinetic and RNAi studies
Mol.Microbiol., 68, 2008
4A8X
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BU of 4a8x by Molmil
Structure of the core ASAP complex
分子名称: HISTONE DEACETYLASE COMPLEX SUBUNIT SAP18, HOOK-LIKE, ISOFORM A, ...
著者Murachelli, A.G, Ebert, J, Basquin, C, Le Hir, H, Conti, E.
登録日2011-11-21
公開日2012-03-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Structure of the Asap Core Complex Reveals the Existence of a Pinin-Containing Psap Complex
Nat.Struct.Mol.Biol., 19, 2012
2B54
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Human cyclin dependent kinase 2 (CKD2)complexed with DIN-232305
分子名称: 6-(3,4-DIHYDROXYBENZYL)-3-ETHYL-1-(2,4,6-TRICHLOROPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4(5H)-ONE, Cell division protein kinase 2
著者Chang, C.-C.
登録日2005-09-27
公開日2005-10-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Synthesis and biological evaluation of 1-aryl-4,5-dihydro-1h-pyraxolo[3,4-d]pyrimidin-4-one inhibitors of cyclin dependent kinases
J.Med.Chem., 47, 2004
4AB7
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BU of 4ab7 by Molmil
Crystal structure of a tetrameric acetylglutamate kinase from Saccharomyces cerevisiae complexed with its substrate N- acetylglutamate
分子名称: N-ACETYL-L-GLUTAMATE, PROTEIN ARG5,6, MITOCHONDRIAL
著者de Cima, S, Gil-Ortiz, F, Crabeel, M, Fita, I, Rubio, V.
登録日2011-12-07
公開日2012-05-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Insight on an Arginine Synthesis Metabolon from the Tetrameric Structure of Yeast Acetylglutamate Kinase
Plos One, 7, 2012
1ZKU
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BU of 1zku by Molmil
Fitting of the gp9 structure in the EM density of bacteriophage T4 extended tail
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Baseplate structural protein Gp9
著者Kostyuchenko, V.A.
登録日2005-05-04
公開日2005-08-09
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (15 Å)
主引用文献The tail structure of bacteriophage T4 and its mechanism of contraction.
Nat.Struct.Mol.Biol., 12, 2005
2B5D
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BU of 2b5d by Molmil
Crystal structure of the novel alpha-amylase AmyC from Thermotoga maritima
分子名称: alpha-Amylase
著者Dickmanns, A, Ballschmiter, M, Liebl, W, Ficner, R.
登録日2005-09-28
公開日2006-03-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of the novel alpha-amylase AmyC from Thermotoga maritima.
Acta Crystallogr.,Sect.D, 62, 2006
5EKE
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BU of 5eke by Molmil
Structure of the polyisoprenyl-phosphate glycosyltransferase GtrB (F215A mutant)
分子名称: MAGNESIUM ION, URIDINE-5'-DIPHOSPHATE, Uncharacterized glycosyltransferase sll0501
著者Ardiccioni, C, Clarke, O.B, Tomasek, D, Banerjee, S, Rajashankar, K.R, Liu, Q, Shapiro, L, Mancia, F, New York Consortium on Membrane Protein Structure (NYCOMPS)
登録日2015-11-03
公開日2016-01-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.001 Å)
主引用文献Structure of the polyisoprenyl-phosphate glycosyltransferase GtrB and insights into the mechanism of catalysis.
Nat Commun, 7, 2016
4A0V
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model refined against the Symmetry-free cryo-EM map of TRiC-AMP-PNP
分子名称: T-COMPLEX PROTEIN 1 SUBUNIT BETA
著者Cong, Y, Schroder, G.F, Meyer, A.S, Jakana, J, Ma, B, Dougherty, M.T, Schmid, M.F, Reissmann, S, Levitt, M, Ludtke, S.L, Frydman, J, Chiu, W.
登録日2011-09-13
公開日2012-02-15
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (10.7 Å)
主引用文献Symmetry-Free Cryo-Em Structures of the Chaperonin Tric Along its ATPase-Driven Conformational Cycle.
Embo J., 31, 2012
2B7F
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Crystal structure of human T-cell leukemia virus protease, a novel target for anti-cancer design
分子名称: (ACE)APQV(STA)VMHP peptide, HTLV protease, PHOSPHATE ION
著者Li, M, Laco, G.S, Jaskolski, M, Rozycki, J, Alexandratos, J, Wlodawer, A, Gustchina, A.
登録日2005-10-04
公開日2005-12-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of human T cell leukemia virus protease, a novel target for anticancer drug design
Proc.Natl.Acad.Sci.Usa, 102, 2005
4ZVS
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Caspase-7 Variant 1 (V1) with reprogrammed substrate specificity due to Y230A/W232M/S234N substitutions, bound to DEVD inhibitor.
分子名称: Caspase-7, DEVD inhibitor
著者MacPherson, D.J, Hill, M.E, Hardy, J.A.
登録日2015-05-18
公開日2016-04-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition.
Acs Chem.Biol., 11, 2016
5V3C
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Crystal structure of TGT in complex with 4-(aminomethane)cyclohexane-1-carboxylic acid
分子名称: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Queuine tRNA-ribosyltransferase, ...
著者Hassaan, E, Heine, A, Klebe, G.
登録日2017-03-07
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.419 Å)
主引用文献Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies.
Chemmedchem, 15, 2020

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