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PDB: 2222 件
3CBS
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CELLULAR RETINOIC ACID BINDING PROTEIN II IN COMPLEX WITH A SYNTHETIC RETINOIC ACID (RO-12 7310)
分子名称: (2E,4E,6E,8E)-9-(4-hydroxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid, PROTEIN (CRABP-II)
著者Chaudhuri, B, Kleywegt, G.J, Bergfors, T, Jones, T.A.
登録日1999-02-22
公開日1999-12-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of cellular retinoic acid binding proteins I and II in complex with synthetic retinoids.
Acta Crystallogr.,Sect.D, 55, 1999
2WW0
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Structure of the Family GH92 Inverting Mannosidase BT3990 from Bacteroides thetaiotaomicron VPI-5482
分子名称: 1S-8AB-OCTAHYDRO-INDOLIZIDINE-1A,2A,8B-TRIOL, CALCIUM ION, GLYCEROL, ...
著者Suits, M.D.L, Thompson, A, Zhu, Y, Gilbert, H.J, Davies, G.J.
登録日2009-10-21
公開日2009-12-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Mechanistic Insights Into a Ca2+-Dependent Family of A-Mannosidases in a Human Gut Symbiont.
Nat.Chem.Biol., 6, 2010
2WZH
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BtGH84 D242N in complex with MeUMB-derived oxazoline
分子名称: 2-METHYL-4,5-DIHYDRO-(1,2-DIDEOXY-ALPHA-D-GLUCOPYRANOSO)[2,1-D]-1,3-OXAZOLE, CALCIUM ION, GLYCEROL, ...
著者He, Y, Davies, G.J.
登録日2009-11-30
公開日2010-01-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Visualizing the Reaction Coordinate of an O-Glcnac Hydrolase
J.Am.Chem.Soc., 132, 2010
2WVZ
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Structure of the Family GH92 Inverting Mannosidase BT3990 from Bacteroides thetaiotaomicron VPI-5482
分子名称: CALCIUM ION, GLYCEROL, KIFUNENSINE, ...
著者Suits, M.D.L, Zhu, Y, Thompson, A, Gilbert, H.J, Davies, G.J.
登録日2009-10-21
公開日2009-12-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mechanistic Insights Into a Ca2+-Dependent Family of A-Mannosidases in a Human Gut Symbiont.
Nat.Chem.Biol., 6, 2010
2WVT
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Crystal structure of an alpha-L-fucosidase GH29 from Bacteroides thetaiotaomicron in complex with a novel iminosugar fucosidase inhibitor
分子名称: (2S,3R,5R,6S)-3,4,5-TRIHYDROXY-2,6-BIS(HYDROXYMETHYL)PIPERIDINIUM, ALPHA-L-FUCOSIDASE, GLYCEROL, ...
著者Lammerts van Bueren, A, Ardevol, A, Fayers-Kerr, J, Luo, B, Zhang, Y, Sollogoub, M, Bleriot, Y, Rovira, C, Davies, G.J.
登録日2009-10-20
公開日2010-02-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Analysis of the Reaction Coordinate of Alpha-L-Fucosidases: A Combined Structural and Quantum Mechanical Approach.
J.Am.Chem.Soc., 132, 2010
2X3C
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AsaP1 inactive mutant E294Q, an extracellular toxic zinc metalloendopeptidase
分子名称: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
著者Bogdanovic, X, Palm, G.J, Singh, R.K, Hinrichs, W.
登録日2010-01-22
公開日2011-02-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural Evidence of Intramolecular Propeptide Inhibition of the Aspzincin Metalloendopeptidase Asap1.
FEBS Lett., 590, 2016
2XIB
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CRYSTAL STRUCTURE OF AN ALPHA-L-FUCOSIDASE GH29 FROM BACTEROIDES THETAIOTAOMICRON IN COMPLEX WITH DEOXYFUCONOJIRIMYCIN
分子名称: (2S,3R,4S,5R)-2-METHYLPIPERIDINE-3,4,5-TRIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ALPHA-L-FUCOSIDASE, ...
著者Lammerts van Bueren, A, Popat, S.D, Lin, C.H, Davies, G.J.
登録日2010-06-28
公開日2010-07-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and Thermodynamic Analyses of Alpha-L-Fucosidase Inhibitors.
Chembiochem, 11, 2010
2XM1
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BtGH84 in complex with N-acetyl gluconolactam
分子名称: GLYCEROL, N-ACETYL GLUCONOLACTAM, O-GLCNACASE BT_4395
著者He, Y, Davies, G.J.
登録日2010-07-22
公開日2011-08-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibition of a Bacterial O-Glcnacase Homologue by Lactone and Lactam Derivatives: Structural, Kinetic and Thermodynamic Analyses.
Amino Acids, 40, 2011
2XPV
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TetR(D) in complex with minocycline and magnesium.
分子名称: (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, CHLORIDE ION, MAGNESIUM ION, ...
著者Dalm, D, Proft, J, Palm, G.J, Hinrichs, W.
登録日2010-08-30
公開日2011-09-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Tetr(D) in Complex with Minocycline.
To be Published
2XPU
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TetR(D) in complex with anhydrotetracycline.
分子名称: 5A,6-ANHYDROTETRACYCLINE, CHLORIDE ION, SULFATE ION, ...
著者Dalm, D, Palm, G.J, Hinrichs, W.
登録日2010-08-30
公開日2011-09-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Tetracycline Repressor Allostery Does not Depend on Divalent Metal Recognition.
Biochemistry, 53, 2014
2XVK
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crystal structure of alpha-xylosidase (GH31) from Cellvibrio japonicus in complex with 5-fluoro-alpha-D-xylopyranosyl fluoride
分子名称: (2R,3S,5R,6S)-2,6-DIFLUOROOXANE-3,4,5-TRIOL, ALPHA-XYLOSIDASE, PUTATIVE, ...
著者Larsbrink, J, Izumi, A, Ibatullin, F, Nakhai, A, Gilbert, H.J, Davies, G.J, Brumer, H.
登録日2010-10-26
公開日2011-04-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.503 Å)
主引用文献Structural and Enzymatic Characterisation of a Glycoside Hydrolase Family 31 Alpha-Xylosidase from Cellvibrio Japonicus Involved in Xyloglucan Saccharification.
Biochem.J., 436, 2011
2XYO
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Structural basis for a new tetracycline resistance mechanism relying on the TetX monooxygenase
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, SULFATE ION, ...
著者Volkers, G, Palm, G.J, Weiss, M.S, Hinrichs, W.
登録日2010-11-18
公開日2011-03-23
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Basis for a New Tetracycline Resistance Mechanism Relying on the Tetx Monooxygenase.
FEBS Lett., 585, 2011
3C7Q
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Structure of VEGFR2 kinase domain in complex with BIBF1120
分子名称: SULFATE ION, Vascular endothelial growth factor receptor 2, methyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin-1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-2-oxo-2,3-dihydro-1H-indole-6-carboxylate
著者Hilberg, F, Roth, G.J, Krssak, M, Kautschitsch, S, Sommergruber, W, Tontsch-Grunt, U, Garin-Chesa, P, Bader, G, Zoephel, A, Quant, J, Heckel, A, Rettig, W.J.
登録日2008-02-08
公開日2008-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献BIBF 1120: triple angiokinase inhibitor with sustained receptor blockade and good antitumor efficacy.
Cancer Res., 68, 2008
3CAG
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Crystal structure of the oligomerization domain hexamer of the arginine repressor protein from Mycobacterium tuberculosis in complex with 9 arginines.
分子名称: ARGININE, Arginine repressor
著者Cherney, L.T, Cherney, M.M, Garen, C.R, Lu, G.J, James, M.N.G, TB Structural Genomics Consortium (TBSGC)
登録日2008-02-19
公開日2008-03-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of the C-terminal domain of the arginine repressor protein from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.D, 64, 2008
2XVL
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crystal structure of alpha-xylosidase (GH31) from Cellvibrio japonicus in complex with Pentaerythritol propoxylate (5 4 PO OH)
分子名称: (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol, ALPHA-XYLOSIDASE, PUTATIVE, ...
著者Larsbrink, J, Izumi, A, Ibatullin, F, Nakhai, A, Gilbert, H.J, Davies, G.J, Brumer, H.
登録日2010-10-26
公開日2011-04-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and Enzymatic Characterisation of a Glycoside Hydrolase Family 31 Alpha-Xylosidase from Cellvibrio Japonicus Involved in Xyloglucan Saccharification.
Biochem.J., 436, 2011
2XPW
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TetR(D) in complex with oxytetracycline and magnesium.
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
著者Dalm, D, Proft, J, Palm, G.J, Hinrichs, W.
登録日2010-08-30
公開日2011-09-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Tetr(D) in Complex with Oxytetracycline.
To be Published
2V2U
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Structure of Mouse gammaC-crystallin
分子名称: GAMMA CRYSTALLIN C
著者Purkiss, A.G, Bateman, O.A, Wyatt, K, David, L.L, Wistow, G.J, Slingsby, C.
登録日2007-06-07
公開日2007-06-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Evolutionary Adaptation of Human and Mouse Eye Lens Gammac-Crystallins for Solubility and Stability: Fine-Tuning of Molecular Dipoles.
J.Mol.Biol., 372, 2007
2Y4M
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MANNOSYLGLYCERATE SYNTHASE IN COMPLEX WITH GDP-Mannose
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GUANOSINE 5'-(TRIHYDROGEN DIPHOSPHATE), ...
著者Nielsen, M.M, Suits, M.D.L, Yang, M, Barry, C.S, Martinez-Fleites, C, Tailford, L.E, Flint, J.E, Davis, B.G, Davies, G.J, Gilbert, H.J.
登録日2011-01-07
公開日2011-02-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Substrate and Metal Ion Promiscuity in Mannosylglycerate Synthase.
J.Biol.Chem., 286, 2011
2Y1M
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Structure of native c-Cbl
分子名称: CALCIUM ION, E3 UBIQUITIN-PROTEIN LIGASE, ZINC ION
著者Dou, H, Sibbet, G.J, Huang, D.T.
登録日2010-12-08
公開日2012-01-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Structural Basis for Autoinhibition and Phosphorylation-Dependent Activation of C-Cbl.
Nat.Struct.Mol.Biol., 19, 2012
2Y4K
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MANNOSYLGLYCERATE SYNTHASE IN COMPLEX WITH MG-GDP
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, FORMIC ACID, ...
著者Nielsen, M.M, Suits, M.D.L, Yang, M, Barry, C.S, Martinez-Fleites, C, Tailford, L.E, Flint, J.E, Davis, B.G, Davies, G.J, Gilbert, H.J.
登録日2011-01-07
公開日2011-02-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Substrate and Metal Ion Promiscuity in Mannosylglycerate Synthase.
J.Biol.Chem., 286, 2011
2Y1X
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CRYSTAL STRUCTURE OF COACTIVATOR ASSOCIATED ARGININE METHYLTRANSFERASE 1 (CARM1) IN COMPLEX WITH SINEFUNGIN AND INDOLE INHIBITOR
分子名称: CHLORIDE ION, HISTONE-ARGININE METHYLTRANSFERASE CARM1, N-(3-{5-[5-(1H-INDOL-4-YL)-1,3,4-OXADIAZOL-2-YL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL}BENZYL)-L-ALANINAMIDE, ...
著者Sack, J.S, Thieffine, S, Bandiera, T, Fasolini, M, Duke, G.J, Jayaraman, L, Kish, K.F, Klei, H.E, Purandare, A.V, Rosettani, P, Troiani, S, Xie, D, Bertrand, J.A.
登録日2010-12-10
公開日2011-03-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis for Carm1 Inhibition by Indole and Pyrazole Inhibitors
Biochem.J., 436, 2011
2Y7Z
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Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs
分子名称: 6-CHLORO-N-[(3S)-1-[(1S)-1-DIMETHYLAMINO-2,3-DIHYDRO-1H-INDEN-5-YL]-2-OXO-PYRROLIDIN-3-YL]NAPHTHALENE-2-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ...
著者Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S.
登録日2011-02-02
公開日2011-03-16
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs.
Bioorg.Med.Chem.Lett., 21, 2011
2Y82
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Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs
分子名称: 6-CHLORO-N-((3S)-2-OXO-1-{4-[(2S)-2-PYRROLIDINYL]PHENYL}-3-PYRROLIDINYL)-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ...
著者Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S.
登録日2011-02-02
公開日2011-03-16
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs.
Bioorg.Med.Chem.Lett., 21, 2011
2YII
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Manipulating the regioselectivity of phenylalanine aminomutase: new insights into the reaction mechanism of MIO-dependent enzymes from structure-guided directed evolution
分子名称: BETA-MERCAPTOETHANOL, FORMIC ACID, GLYCEROL, ...
著者Wu, B, Szymanski, W, Wybenga, G.G, Heberling, M.M, Bartsch, S, Wildeman, S, Poelarends, G.J, Feringa, B.L, Dijkstra, B.W, Janssen, D.B.
登録日2011-05-13
公開日2011-11-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Mechanism-Inspired Engineering of Phenylalanine Aminomutase for Enhanced Beta-Regioselective Asymmetric Amination of Cinnamates.
Angew.Chem.Int.Ed.Engl., 51, 2012
2Y81
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Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs
分子名称: 6-CHLORO-N-((3S)-2-OXO-1-{4-[(2R)-2--PYRROLIDINYL] PHENYL}-3-PYRROLIDINYL)-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ...
著者Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S.
登録日2011-02-02
公開日2011-03-16
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs.
Bioorg.Med.Chem.Lett., 21, 2011

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