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4ICC
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Crystal structure of human AKR1B10 complexed with NADP+ and JF0064
分子名称: 2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Porte, S, de Lera, A.R, Martin, M.J, de la Fuente, J.A, Klebe, G, Farres, J, Pares, X, Podjarny, A.
登録日2012-12-10
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.752 Å)
主引用文献Identification of a novel polyfluorinated compound as a lead to inhibit the human enzymes aldose reductase and AKR1B10: structure determination of both ternary complexes and implications for drug design.
Acta Crystallogr.,Sect.D, 70, 2014
3ETZ
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Crystal structure of bacterial adhesin FadA L76A mutant
分子名称: Adhesin A
著者Nithianantham, S, Xu, M, Wu, N, Shoham, M, Han, Y.W.
登録日2008-10-08
公開日2008-12-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of FadA Adhesin from Fusobacterium nucleatum Reveals a Novel Oligomerization Motif, the Leucine Chain.
J.Biol.Chem., 284, 2009
4DUY
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BU of 4duy by Molmil
Crystal structure of the Thermus thermophilus 30S ribosomal subunit with a 16S rRNA mutation, U13C
分子名称: 16S rRNA, MAGNESIUM ION, ZINC ION, ...
著者Demirci, H, Murphy IV, F, Murphy, E, Gregory, S.T, Dahlberg, A.E, Jogl, G.
登録日2012-02-22
公開日2013-02-27
実験手法X-RAY DIFFRACTION (3.386 Å)
主引用文献A structural basis for streptomycin resistance
To be Published
3QDF
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BU of 3qdf by Molmil
Crystal structure of 2-hydroxyhepta-2,4-diene-1,7-dioate isomerase from Mycobacterium marinum
分子名称: 1,2-ETHANEDIOL, 2-hydroxyhepta-2,4-diene-1,7-dioate isomerase, ZINC ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-01-18
公開日2011-02-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4IE0
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Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with pyridine-2,4-dicarboxylate (2,4-PDCA)
分子名称: Alpha-ketoglutarate-dependent dioxygenase FTO, GLYCEROL, PYRIDINE-2,4-DICARBOXYLIC ACID, ...
著者Aik, W.S, McDonough, M.A, Schofield, C.J.
登録日2012-12-13
公開日2013-04-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Structural basis for inhibition of the fat mass and obesity associated protein (FTO)
J.Med.Chem., 56, 2013
4IBG
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Ebola virus VP35 bound to small molecule
分子名称: GLYCEROL, PHOSPHATE ION, Polymerase cofactor VP35, ...
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 (1.413 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
4IBZ
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Human p53 core domain with hot spot mutation R273C and second-site suppressor mutation T284R
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Cellular tumor antigen p53, ...
著者Eldar, A, Rozenberg, H, 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 (1.92 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
3QH6
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1.8A resolution structure of CT296 from Chlamydia trachomatis
分子名称: CT296, TETRAETHYLENE GLYCOL
著者Kemege, K, Hickey, J, Lovell, S, Battaile, K.P, Zhang, Y, Hefty, P.S.
登録日2011-01-25
公開日2011-10-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Ab initio structural modeling of and experimental validation for Chlamydia trachomatis protein CT296 reveal structural similarity to Fe(II) 2-oxoglutarate-dependent enzymes.
J.Bacteriol., 193, 2011
4EE1
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BU of 4ee1 by Molmil
The structure of the S. aureus DnaG RNA Polymerase Domain bound to CTP and Manganese
分子名称: BENZAMIDINE, CYTIDINE-5'-TRIPHOSPHATE, DNA primase, ...
著者Rymer, R.U, Solorio, F.A, Chu, C, Corn, J.E, Wang, J.D, Berger, J.M.
登録日2012-03-28
公開日2012-07-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Binding Mechanism of Metal-NTP Substrates and Stringent-Response Alarmones to Bacterial DnaG-Type Primases.
Structure, 20, 2012
4IEJ
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BU of 4iej by Molmil
Crystal structure of a DNA methyltransferase 1 associated protein 1 (DMAP1) from Homo sapiens at 1.45 A resolution
分子名称: CALCIUM ION, DNA methyltransferase 1-associated protein 1
著者Joint Center for Structural Genomics (JCSG), Partnership for T-Cell Biology (TCELL)
登録日2012-12-13
公開日2013-01-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal structure of a DNA methyltransferase 1 associated protein 1 (DMAP1) from Homo sapiens at 1.45 A resolution
To be published
2HBJ
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BU of 2hbj by Molmil
Structure of the yeast nuclear exosome component, Rrp6p, reveals an interplay between the active site and the HRDC domain
分子名称: Exosome complex exonuclease RRP6
著者Midtgaard, S.F, Assenholt, J, Jonstrup, A.T, Van, L.B, Jensen, T.H, Brodersen, D.E.
登録日2006-06-14
公開日2006-07-25
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of the nuclear exosome component Rrp6p reveals an interplay between the active site and the HRDC domain.
Proc.Natl.Acad.Sci.Usa, 103, 2006
3EXT
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BU of 3ext by Molmil
Crystal structure of KGPDC from Streptococcus mutans
分子名称: MAGNESIUM ION, RmpD (Hexulose-6-phosphate synthase)
著者Liu, X, Li, G.L, Li, L.F, Su, X.D.
登録日2008-10-17
公開日2009-08-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Open-closed conformational change revealed by the crystal structures of 3-keto-L-gulonate 6-phosphate decarboxylase from Streptococcus mutans
Biochem.Biophys.Res.Commun., 381, 2009
4EGE
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BU of 4ege by Molmil
Crystal Structure of Dipeptidase PepE from Mycobacterium ulcerans
分子名称: 1,2-ETHANEDIOL, Dipeptidase PepE, UNKNOWN ATOM OR ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-03-30
公開日2012-04-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3QJ0
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BU of 3qj0 by Molmil
Crystal Structure of BoNT/A LC complexed with Hydroxamate-based Inhibitor PT-3
分子名称: (4R)-4-(4-chlorophenoxy)-1-[(4-chlorophenyl)sulfonyl]-N-hydroxy-L-prolinamide, 1,2-ETHANEDIOL, Botulinum neurotoxin type A, ...
著者Thompson, A.A, Han, G.W, Stevens, R.C.
登録日2011-01-28
公開日2011-04-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility.
Biochemistry, 50, 2011
3QIS
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BU of 3qis by Molmil
Recognition of the F&H motif by the Lowe Syndrome protein OCRL
分子名称: Inositol polyphosphate 5-phosphatase OCRL-1, Protein FAM109A
著者Pirruccello, M, Swan, L.E, Folta-Stogniew, E, De Camilli, P.
登録日2011-01-27
公開日2011-06-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Recognition of the F&H motif by the Lowe syndrome protein OCRL.
Nat.Struct.Mol.Biol., 18, 2011
3QJH
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BU of 3qjh by Molmil
The crystal structure of the 5c.c7 TCR
分子名称: 5c.c7 alpha chain, 5c.c7 beta chain
著者Ely, L.K, Newell, E.W, Davis, M.M, Garcia, K.C.
登録日2011-01-28
公開日2011-04-27
最終更新日2011-08-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis of specificity and cross-reactivity in T cell receptors specific for cytochrome c-I-E(k).
J.Immunol., 186, 2011
2O52
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BU of 2o52 by Molmil
Crystal structure of human RAB4B in complex with GDP
分子名称: BETA-MERCAPTOETHANOL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Zhu, H, Tempel, W, Wang, J, Shen, Y, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2006-12-05
公開日2006-12-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of human RAB4B in complex with GDP
To be Published
4GW8
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Human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and Leucettine L41
分子名称: 1,2-ETHANEDIOL, 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one, Consensus peptide (Pimtide), ...
著者Filippakopoulos, P, Bullock, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Meijer, L, Knapp, S, Structural Genomics Consortium (SGC)
登録日2012-09-01
公開日2012-10-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Selectivity, cocrystal structures, and neuroprotective properties of leucettines, a family of protein kinase inhibitors derived from the marine sponge alkaloid leucettamine B.
J.Med.Chem., 55, 2012
4GQM
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BU of 4gqm by Molmil
Crystal structure of a helix-turn-helix containing hypothetical protein (CT009) from Chlamydia trachomatis in a sub-domain swap conformation
分子名称: CT009
著者Kemege, K, Hickey, J, Lovell, S, Battaile, K.P, Hefty, P.S.
登録日2012-08-23
公開日2013-08-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystal structure of a helix-turn-helix containing hypothetical protein (CT009) from Chlamydia trachomatis in a sub-domain swap conformation
To be Published
2O0A
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BU of 2o0a by Molmil
The structure of the C-terminal domain of Vik1 has a motor domain fold but lacks a nucleotide-binding site.
分子名称: 1,2-ETHANEDIOL, S.cerevisiae chromosome XVI reading frame ORF YPL253c
著者Allingham, J.S, Sproul, L.R, Rayment, I, Gilbert, S.P.
登録日2006-11-27
公開日2007-03-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Vik1 modulates microtubule-Kar3 interactions through a motor domain that lacks an active site.
Cell(Cambridge,Mass.), 128, 2007
2O0I
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crystal structure of the R185A mutant of the N-terminal domain of the Group B Streptococcus Alpha C protein
分子名称: C protein alpha-antigen
著者Hogle, J.M, Filman, D.J, Baron, M.J, Madoff, L.C, Iglesias, A.
登録日2006-11-27
公開日2007-02-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Identification of a glycosaminoglycan binding region of the alpha C protein that mediates entry of group B streptococci into host cells.
J.Biol.Chem., 282, 2007
4GWU
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Crystal Structure of Fru 2,6-bisphosphate complexes of Porcine Liver Fructose-1,6-bisphosphatase with Filled Central Cavity
分子名称: 2,6-di-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase 1, MAGNESIUM ION
著者Gao, Y, Honzatko, R.B.
登録日2012-09-03
公開日2013-09-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Hydrophobic Central Cavity in Fructose-1,6-bisphosphatase is Essential for the Synergism in AMP/Fru 2,6-bisphosphate Inhibition
To be Published
4EMD
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Crystal structure of IspE (4-diphosphocytidyl-2-C-methyl-D-erythritol kinase) from Mycobacterium abcessus, bound to CMP and SO4
分子名称: 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, CYTIDINE-5'-MONOPHOSPHATE, SULFATE ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-04-11
公開日2012-04-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4EK0
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BU of 4ek0 by Molmil
Initial Thaumatin Structure for Radiation Damage Experiment at 25 K
分子名称: L(+)-TARTARIC ACID, Thaumatin-1
著者Warkentin, M, Badeau, R, Hopkins, J.B, Thorne, R.E.
登録日2012-04-08
公開日2012-08-29
最終更新日2013-01-23
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Spatial distribution of radiation damage to crystalline proteins at 25-300 K.
Acta Crystallogr.,Sect.D, 68, 2012
4EKH
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Final Thaumatin Structure for Radiation Damage Experiment at 100 K
分子名称: L(+)-TARTARIC ACID, Thaumatin-1
著者Warkentin, M, Badeau, R, Hopkins, J.B, Thorne, R.E.
登録日2012-04-09
公開日2012-08-29
最終更新日2013-01-23
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Spatial distribution of radiation damage to crystalline proteins at 25-300 K.
Acta Crystallogr.,Sect.D, 68, 2012

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