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PDB: 42254 件

3ZP2
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INFLUENZA VIRUS (VN1194) H5 HA A138V mutant with LSTa
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HAEMAGGLUTININ, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose
著者Liu, J, Stevens, D.J, Gamblin, S.J, Skehel, J.J.
登録日2013-02-26
公開日2013-10-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Changes in the Hemagglutinin of H5N1 Viruses During Human Infection - Influence on Receptor Binding.
Virology, 447, 2013
3K5K
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Discovery of a 2,4-Diamino-7-aminoalkoxy-quinazoline as a Potent Inhibitor of Histone Lysine Methyltransferase, G9a
分子名称: 7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine, CHLORIDE ION, Histone-lysine N-methyltransferase, ...
著者Dong, A, Wasney, G.A, Liu, F, Chen, X, Allali-Hassani, A, Senisterra, G, Chau, I, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Frye, S.V, Bochkarev, A, Brown, P.J, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC)
登録日2009-10-07
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of a 2,4-diamino-7-aminoalkoxyquinazoline as a potent and selective inhibitor of histone lysine methyltransferase G9a.
J.Med.Chem., 52, 2009
3JPX
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EED: A Novel Histone Trimethyllysine Binder Within The EED-EZH2 Polycomb Complex
分子名称: HISTONE PEPTIDE, Polycomb protein EED
著者Xu, C, Bian, C.B, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
登録日2009-09-04
公開日2009-10-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Binding of different histone marks differentially regulates the activity and specificity of polycomb repressive complex 2 (PRC2).
Proc.Natl.Acad.Sci.USA, 107, 2010
3X13
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Crystal structure of HLA-B*0801.N80I
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-8 alpha chain, ...
著者Vivian, J.P, Rossjohn, J.
登録日2014-10-24
公開日2014-12-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The interaction of KIR3DL1*001 with HLA class I molecules is dependent upon molecular microarchitecture within the Bw4 epitope
J.Immunol., 194, 2015
1GI0
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A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE
分子名称: 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, BETA-TRYPSIN, CALCIUM ION, ...
著者Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W.
登録日2001-01-22
公開日2002-01-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
3ZVG
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3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 98
分子名称: 3C PROTEASE, N-(tert-butoxycarbonyl)-O-tert-butyl-L-threonyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide
著者Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R.
登録日2011-07-24
公開日2012-08-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013
6CBA
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Ethylene forming enzyme in complex with manganese, 2-oxoglutarate and canavanine
分子名称: 2-OXOGLUTARIC ACID, 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, L-CANAVANINE, ...
著者Fellner, M, Martinez, S, Hu, J, Hausinger, R.P.
登録日2018-02-02
公開日2019-02-06
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Structural, Spectroscopic, and Computational Insights from Canavanine-Bound and Two Catalytically Compromised Variants of the Ethylene-Forming Enzyme.
Biochemistry, 2024
6NX7
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ECAII(D90T,K162T) MUTANT IN COMPLEX WITH CITRATE AT PH 5.6
分子名称: ACETIC ACID, CITRIC ACID, L-asparaginase 2
著者Lubkowski, J, Wlodawer, A.
登録日2019-02-08
公開日2019-08-07
最終更新日2020-08-19
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Opportunistic complexes of E. coli L-asparaginases with citrate anions.
Sci Rep, 9, 2019
4S1D
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Structure of IgG1 Fab fragment in complex with Biotincytidinamide
分子名称: MAB M33 FAB FRAGMENT, heavy chain, light chain, ...
著者Dengl, S, Hoffmann, E, Grote, M, Wagner, C, Mundigl, O, Georges, G, Theorey, I, Stubenrauch, K.-G, Bujotzek, A, Josel, H.-P, Dziadek, S, Benz, J, Brinkmann, U.
登録日2015-01-13
公開日2015-03-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Hapten-directed spontaneous disulfide shuffling: a universal technology for site-directed covalent coupling of payloads to antibodies.
Faseb J., 29, 2015
2W83
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Crystal structure of the ARF6 GTPase in complex with a specific effector, JIP4
分子名称: 1,4-DIETHYLENE DIOXIDE, ADP-RIBOSYLATION FACTOR 6, C-JUN-AMINO-TERMINAL KINASE-INTERACTING PROTEIN 4, ...
著者Isabet, T, Montagnac, G, Regazzoni, K, Raynal, B, El Khadali, F, Franco, M, England, P, Chavrier, P, Houdusse, A, Menetrey, J.
登録日2009-01-08
公開日2009-07-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献The Structural Basis of Arf Effector Specificity: The Crystal Structure of Arf6 in a Complex with Jip4.
Embo J., 28, 2009
6K0M
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Catalytic domain of GH87 alpha-1,3-glucanase from Paenibacillus glycanilyticus FH11
分子名称: Alpha-1,3-glucanase, CALCIUM ION, GLYCEROL, ...
著者Itoh, T, Intuy, R, Suyotha, W, Hayashi, J, Yano, S, Makabe, K, Wakayama, M, Hibi, T.
登録日2019-05-07
公開日2019-12-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural insights into substrate recognition and catalysis by glycoside hydrolase family 87 alpha-1,3-glucanase from Paenibacillus glycanilyticus FH11.
Febs J., 287, 2020
4S2E
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Phosphate ion bound Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5
分子名称: PHOSPHATE ION, Thymidylate kinase
著者Biswas, A, Jeyakanthan, J, Sekar, K.
登録日2015-01-20
公開日2016-01-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural studies of a hyperthermophilic thymidylate kinase enzyme reveal conformational substates along the reaction coordinate.
Febs J., 284, 2017
3ZP6
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INFLUENZA VIRUS (VN1194) H5 E190D mutant HA with LSTc
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HAEMAGGLUTININ, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose
著者Liu, J, Stevens, D.J, Gamblin, S.J, Skehel, J.J.
登録日2013-02-26
公開日2013-10-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Changes in the Hemagglutinin of H5N1 Viruses During Human Infection - Influence on Receptor Binding.
Virology, 447, 2013
3FQ8
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M248I mutant of GSAM
分子名称: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Glutamate-1-semialdehyde 2,1-aminomutase
著者Stetefeld, J.
登録日2009-01-07
公開日2009-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Absence of a catalytic water confers resistance to the neurotoxin gabaculine.
Faseb J., 24, 2010
2VOC
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THIOREDOXIN A ACTIVE SITE MUTANTS FORM MIXED DISULFIDE DIMERS THAT RESEMBLE ENZYME-SUBSTRATE REACTION INTERMEDIATE
分子名称: DI(HYDROXYETHYL)ETHER, THIOREDOXIN
著者Kouwen, T.R.H.M, Andrell, J, Schrijver, R, Dubois, J.Y.F, Maher, M.J, Iwata, S, Carpenter, E.P, van Dijl, J.M.
登録日2008-02-13
公開日2009-03-10
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Thioredoxin A active-site mutants form mixed disulfide dimers that resemble enzyme-substrate reaction intermediates.
J. Mol. Biol., 379, 2008
6K28
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Crystal structure of the 5-(Hydroxyethyl)-methylthiazole Kinase ThiM from Klebsiella pneumonia in complex with TZE
分子名称: 2-(4-METHYL-THIAZOL-5-YL)-ETHANOL, Hydroxyethylthiazole kinase, MAGNESIUM ION
著者Chen, Y, Wang, L, Shang, F, Lan, J, Liu, W, Xu, Y.
登録日2019-05-13
公開日2019-07-10
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献Structural insight of the 5-(Hydroxyethyl)-methylthiazole kinase ThiM involving vitamin B1 biosynthetic pathway from the Klebsiella pneumoniae.
Biochem.Biophys.Res.Commun., 518, 2019
1GHZ
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A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE
分子名称: 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, BETA-TRYPSIN, CALCIUM ION, ...
著者Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W.
登録日2001-01-22
公開日2002-01-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
1GI5
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A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE
分子名称: 2-(2-HYDROXY-5-METHOXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, BETA-TRYPSIN, CALCIUM ION, ...
著者Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W.
登録日2001-01-22
公開日2002-01-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
4TLA
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BU of 4tla by Molmil
Crystal structure of N-terminal C1 domain of KaiC
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Circadian clock protein kinase KaiC, ...
著者Abe, J, Hiyama, T.B, Mukaiyama, A, Son, S, Akiyama, S.
登録日2014-05-29
公開日2015-07-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Circadian rhythms. Atomic-scale origins of slowness in the cyanobacterial circadian clock.
Science, 349, 2015
7EOD
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MITF HLHLZ Delta AKE
分子名称: GLYCEROL, Isoform M1 of Microphthalmia-associated transcription factor
著者Li, P, Liu, Z, Fang, P, Wang, J.
登録日2021-04-22
公開日2022-04-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A unique hyperdynamic dimer interface permits small molecule perturbation of the melanoma oncoprotein MITF for melanoma therapy.
Cell Res., 33, 2023
6K0U
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Catalytic domain of GH87 alpha-1,3-glucanase D1068A in complex with tetrasaccharides
分子名称: Alpha-1,3-glucanase, CALCIUM ION, SULFATE ION, ...
著者Itoh, T, Intuy, R, Suyotha, W, Hayashi, J, Yano, S, Makabe, K, Wakayama, M, Hibi, T.
登録日2019-05-07
公開日2019-12-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural insights into substrate recognition and catalysis by glycoside hydrolase family 87 alpha-1,3-glucanase from Paenibacillus glycanilyticus FH11.
Febs J., 287, 2020
3KVO
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Crystal structure of the catalytic domain of human Hydroxysteroid dehydrogenase like 2 (HSDL2)
分子名称: Hydroxysteroid dehydrogenase-like protein 2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Ugochukwu, E, Bhatia, C, Huang, J, Pilka, E, Muniz, J.R.C, Pike, A.C.W, Krojer, T, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Verdin, E.M, Oppermann, U, Kavanagh, K.L, Structural Genomics Consortium (SGC)
登録日2009-11-30
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structure of the catalytic domain of human Hydroxysteroid dehydrogenase like 2 (HSDL2)
To be Published
3ZKO
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The structure of ''breathing'' dengue virus.
分子名称: ENVELOPE GLYCOPROTEIN
著者Fibriansah, G, Ng, T.S, Kostyuchenko, V.A, Lee, S, Wang, J, Lok, S.M.
登録日2013-01-24
公開日2013-05-15
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (13.7 Å)
主引用文献Structural Changes of Dengue Virus When Exposed to 37 Degrees C.
J.Virol., 87, 2013
6NXB
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ECAII IN COMPLEX WITH CITRATE AT PH 7
分子名称: CITRIC ACID, GLYCEROL, L-asparaginase 2
著者Lubkowski, J, Wlodawer, A.
登録日2019-02-08
公開日2019-08-07
最終更新日2019-11-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Opportunistic complexes of E. coli L-asparaginases with citrate anions.
Sci Rep, 9, 2019
3ZP0
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INFLUENZA VIRUS (VN1194) H5 HA with LSTa
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose
著者Liu, J, Stevens, D.J, Gamblin, S.J, Skehel, J.J.
登録日2013-02-26
公開日2013-10-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Changes in the Hemagglutinin of H5N1 Viruses During Human Infection - Influence on Receptor Binding.
Virology, 447, 2013

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