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1XNK
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Beta-1,4-xylanase from Chaetomium thermophilum complexed with methyl thioxylopentoside
分子名称: 4-thio-beta-D-xylopyranose-(1-4)-4-thio-beta-D-xylopyranose-(1-4)-methyl 4-thio-alpha-D-xylopyranoside, SULFATE ION, endoxylanase 11A
著者Hakanpaa, J, Hakulinen, N, Rouvinen, J.
登録日2004-10-05
公開日2005-05-10
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Determination of thioxylo-oligosaccharide binding to family 11 xylanases using electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry and X-ray crystallography
FEBS J., 272, 2005
3IJ7
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BU of 3ij7 by Molmil
Directed 'in situ' Elongation as a Strategy to Characterize the Covalent Glycosyl-Enzyme Catalytic Intermediate of Human Pancreatic a-Amylase
分子名称: 4-O-methyl-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranosyl fluoride, 4-O-methyl-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-2)-5-fluoro-alpha-L-idopyranose, CALCIUM ION, ...
著者Li, C, Zhang, R, Withers, S.G, Brayer, G.D.
登録日2009-08-03
公開日2009-10-27
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Directed "in situ" inhibitor elongation as a strategy to structurally characterize the covalent glycosyl-enzyme intermediate of human pancreatic alpha-amylase
Biochemistry, 48, 2009
4IFP
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X-ray Crystal Structure of Human NLRP1 CARD Domain
分子名称: MALONATE ION, Maltose-binding periplasmic protein,NACHT, LRR and PYD domains-containing protein 1, ...
著者Jin, T, Curry, J, Smith, P, Jiang, J, Xiao, T.
登録日2012-12-14
公開日2013-04-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9948 Å)
主引用文献Structure of the NLRP1 caspase recruitment domain suggests potential mechanisms for its association with procaspase-1.
Proteins, 81, 2013
3BMW
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BU of 3bmw by Molmil
Cyclodextrin glycosyl transferase from Thermoanerobacterium thermosulfurigenes EM1 mutant S77P complexed with a maltoheptaose inhibitor
分子名称: 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL, CALCIUM ION, CHLORIDE ION, ...
著者Rozeboom, H.J, van Oosterwijk, N, Dijkstra, B.W.
登録日2007-12-13
公開日2008-05-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Elimination of competing hydrolysis and coupling side reactions of a cyclodextrin glucanotransferase by directed evolution.
Biochem.J., 413, 2008
4ILX
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Structure of human carbonic anhydrase II in complex with an adamantyl sulfonamide inhibitor
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Biswas, S, McKenna, R.
登録日2013-01-01
公開日2013-02-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural effect of phenyl ring compared to thiadiazole based adamantyl-sulfonamides on carbonic anhydrase inhibition.
Bioorg.Med.Chem., 21, 2013
2ISB
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Crystal structure of Fumarase of FUM-1 (NP_069927.1) from Archaeoglobus Fulgidus at 1.66 A resolution
分子名称: Fumarase
著者Joint Center for Structural Genomics (JCSG)
登録日2006-10-17
公開日2006-11-28
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Crystal structure of Fumarase of FUM-1 (NP_069927.1) from Archaeoglobus Fulgidus at 1.66 A resolution
To be published
2NXQ
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Crystal structure of calcium binding protein 1 from Entamoeba histolytica: a novel arrangement of EF hand motifs
分子名称: ACETATE ION, CALCIUM ION, Calcium-binding protein
著者Kumar, S, Padhan, N, Alam, N, Gourinath, S.
登録日2006-11-18
公開日2007-08-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of calcium binding protein-1 from Entamoeba histolytica: A novel arrangement of EF hand motifs.
Proteins, 68, 2007
2NZI
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BU of 2nzi by Molmil
Crystal structure of domains A168-A170 from titin
分子名称: Titin
著者Mrosek, M.C, Labeit, D, Labeit, S, Mayans, O.
登録日2006-11-23
公開日2007-02-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Molecular determinants for the recruitment of the ubiquitin-ligase MuRF-1 onto M-line titin.
Faseb J., 21, 2007
1UHE
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BU of 1uhe by Molmil
Crystal structure of aspartate decarboxylase, isoaspargine complex
分子名称: Aspartate 1-decarboxylase alpha chain, Aspartate 1-decarboxylase beta chain, N~2~-(2-AMINO-1-METHYL-2-OXOETHYLIDENE)ASPARAGINATE
著者Lee, B.I, Kwon, A.-R, Han, B.W, Suh, S.W.
登録日2003-07-01
公開日2004-07-13
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of the schiff base intermediate prior to decarboxylation in the catalytic cycle of aspartate alpha-decarboxylase
J.Mol.Biol., 340, 2004
2O0B
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Mycobacterium tuberculosis epsp synthase in complex with S3P (partially photolyzed)
分子名称: 3-phosphoshikimate 1-carboxyvinyltransferase, PHOSPHATE ION, SHIKIMATE-3-PHOSPHATE, ...
著者Burenkov, G.P, Kachalova, G.S, Bartunik, H.D, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
登録日2006-11-27
公開日2008-04-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Complex of 3-PHOSPHOSHIKIMATE 1-CARBOXYVINYLTRANSFERASE with S3P
To be Published
2B22
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Antiparallel four-stranded coiled coil specified by a 3-3-1 hydrophobic heptad repeat
分子名称: General control protein GCN4, SODIUM ION
著者Deng, Y, Liu, J, Zheng, Q, Eliezer, D, Kallenbach, N.R, Lu, M.
登録日2005-09-16
公開日2006-01-31
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Antiparallel four-stranded coiled coil specified by a 3-3-1 hydrophobic heptad repeat.
Structure, 14, 2006
2B2J
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Ammonium Transporter Amt-1 from A. fulgidus (Xe)
分子名称: XENON, ammonium transporter
著者Andrade, S.L.A, Dickmanns, A, Ficner, R, Einsle, O.
登録日2005-09-19
公開日2005-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of the archaeal ammonium transporter Amt-1 from Archaeoglobus fulgidus
Proc.Natl.Acad.Sci.Usa, 102, 2005
2B7Z
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Structure of HIV-1 protease mutant bound to indinavir
分子名称: HIV-1 protease, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
著者Clemente, J.C, Stow, L.R, Janka, L.K, Jeung, J.A, Desai, K.A, Govindasamy, L, Agbandje-McKenna, M, McKenna, R, Goodenow, M.M, Dunn, B.M.
登録日2005-10-05
公開日2006-11-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献In vivo, kinetic, and structural analysis of the development of ritonavir resistance
To be Published
2BC9
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Crystal-structure of the N-terminal large GTPase Domain of human Guanylate Binding protein 1 (hGBP1) in complex with non-hydrolysable GTP analogue GppNHp
分子名称: Interferon-induced guanylate-binding protein 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
著者Ghosh, A, Praefcke, G.J.K, Renault, L, Wittinghofer, A, Herrmann, C.
登録日2005-10-19
公開日2006-03-07
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献How guanylate-binding proteins achieve assembly-stimulated processive cleavage of GTP to GMP.
Nature, 440, 2006
3ZNJ
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BU of 3znj by Molmil
Crystal structure of unliganded ClcF from R.opacus 1CP in crystal form 1.
分子名称: 1,2-ETHANEDIOL, 5-CHLOROMUCONOLACTONE DEHALOGENASE, CHLORIDE ION
著者Roth, C, Groening, J.A.D, Kaschabek, S.R, Schloemann, M, Straeter, N.
登録日2013-02-14
公開日2013-03-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure and Catalytic Mechanism of Chloromuconolactone Dehalogenase Clcf from Rhodococcus Opacus 1Cp.
Mol.Microbiol., 88, 2013
3HPT
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BU of 3hpt by Molmil
Crystal structure of human FxA in complex with (S)-2-cyano-1-(2-methylbenzofuran-5-yl)-3-(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-yl)guanidine
分子名称: 1-cyano-2-(2-methyl-1-benzofuran-5-yl)-3-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ...
著者Klei, H.E, Ghosh, K, Rushith, A, Kish, K.
登録日2009-06-04
公開日2009-11-17
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Cyanoguanidine-based lactam derivatives as a novel class of orally bioavailable factor Xa inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
1RV6
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Crystal Structure of PlGF in Complex with Domain 2 of VEGFR1
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FLT1 protein, placenta growth factor (PlGF)
著者Christinger, H.W, Fuh, G, de Vos, A.M, Wiesmann, C.
登録日2003-12-12
公開日2004-01-20
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献The crystal structure of placental growth factor in complex with domain 2 of vascular endothelial growth factor receptor-1.
J.Biol.Chem., 279, 2004
2L62
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Protein and metal cluster structure of the wheat metallothionein domain g-Ec-1. The second part of the puzzle.
分子名称: EC protein I/II, ZINC ION
著者Loebus, J, Peroza, E.A, Bluethgen, N, Fox, T, Meyer-Klaucke, W, Zerbe, O, Freisinger, E.
登録日2010-11-12
公開日2011-05-25
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Protein and metal cluster structure of the wheat metallothionein domain gamma-E(c)-1: the second part of the puzzle.
J.Biol.Inorg.Chem., 16, 2011
2L8E
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Solution NMR structure of FCS domain of Human Polyhomeotic Homolog 1 (HPH1)
分子名称: Polyhomeotic-like protein 1, ZINC ION
著者Ilangovan, U, Kim, C.
登録日2011-01-11
公開日2011-12-21
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献1H, 15N and 13C assigned chemical shifts of FCS domain from human polyhomeotic homolog 1
To be Published
3OE1
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Pyruvate decarboxylase variant Glu473Asp from Z. mobilis in complex with reaction intermediate 2-lactyl-ThDP
分子名称: 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-CARBOXY-1-HYDROXYETHYL)-5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, GLYCEROL, MAGNESIUM ION, ...
著者Meyer, D, Neumann, P, Parthier, C, Tittmann, K.
登録日2010-08-12
公開日2010-09-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.985 Å)
主引用文献Double duty for a conserved glutamate in pyruvate decarboxylase: evidence of the participation in stereoelectronically controlled decarboxylation and in protonation of the nascent carbanion/enamine intermediate .
Biochemistry, 49, 2010
2DVD
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BU of 2dvd by Molmil
Crystal structure of peanut lectin GAL-ALPHA-1,3-GAL complex
分子名称: CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ...
著者Natchiar, S.K, Srinivas, O, Mitra, N, Surolia, A, Jayaraman, N, Vijayan, M.
登録日2006-07-31
公開日2006-11-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural studies on peanut lectin complexed with disaccharides involving different linkages: further insights into the structure and interactions of the lectin
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
3OG6
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The crystal structure of human interferon lambda 1 complexed with its high affinity receptor in space group P212121
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Interleukin 28 receptor, ...
著者Miknis, Z.J, Magracheva, E, Lei, W, Zdanov, A, Kotenko, S.V, Wlodawer, A.
登録日2010-08-16
公開日2010-10-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.097 Å)
主引用文献Crystal structure of the complex of human interferon-lambda1 with its high affinity receptor interferon-lambdaR1.
J.Mol.Biol., 404, 2010
2OKX
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Crystal structure of GH78 family rhamnosidase of Bacillus SP. GL1 AT 1.9 A
分子名称: CALCIUM ION, GLYCEROL, Rhamnosidase B
著者Cui, Z, Mikami, B, Hashimoto, W, Murata, K.
登録日2007-01-17
公開日2007-11-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of Glycoside Hydrolase Family 78 alpha-L-Rhamnosidase from Bacillus sp. GL1
J.Mol.Biol., 374, 2007
3SA4
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Crystal structure of wild-type HIV-1 protease in complex with AF72
分子名称: ACETATE ION, N-{(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(cyclohexylmethyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-3-hydroxybenzamide, PHOSPHATE ION, ...
著者Schiffer, C.A, Nalam, M.N.L.
登録日2011-06-02
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Protease Inhibitors that protrude out from substrate envelope are more susceptible to developing drug resistance
To be Published
2YK2
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Tricyclic series of Hsp90 inhibitors
分子名称: 1-(3H-imidazo[4,5-c]pyridin-2-yl)-3,4-dihydropyrido[2,1-a]isoindol-6(2H)-one, 4-(5-METHYL-4-PHENYLISOXAZOL-3-YL)BENZENE-1,3-DIOL, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Dupuy, A, Vallee, F.
登録日2011-05-25
公開日2011-10-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 54, 2011

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