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3VQ8
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HIV-1 IN core domain in complex with (3R)-3,4-dihydro-2H-chromen-3-ylmethanol
分子名称: (3R)-3,4-dihydro-2H-chromen-3-ylmethanol, CADMIUM ION, CHLORIDE ION, ...
著者Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J.
登録日2012-03-20
公開日2013-01-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
1UGM
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BU of 1ugm by Molmil
Crystal Structure of LC3
分子名称: Microtubule-associated proteins 1A/1B light chain 3
著者Sugawara, K, Suzuki, N.N, Fujioka, Y, Mizushima, N, Ohsumi, Y, Inagaki, F.
登録日2003-06-16
公開日2004-07-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The crystal structure of microtubule-associated protein light chain 3, a mammalian homologue of Saccharomyces cerevisiae Atg8
Genes Cells, 9, 2004
2W0N
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BU of 2w0n by Molmil
Plasticity of PAS domain and potential role for signal transduction in the histidine-kinase DcuS
分子名称: SENSOR PROTEIN DCUS
著者Etzkorn, M, Kneuper, H, Duennwald, P, Vijayan, V, Kraemer, J, Griesinger, C, Becker, S, Unden, G, Baldus, M.
登録日2008-08-19
公開日2008-09-30
最終更新日2024-05-15
実験手法SOLID-STATE NMR
主引用文献Plasticity of the Pas Domain and a Potential Role for Signal Transduction in the Histidine Kinase Dcus.
Nat.Struct.Mol.Biol., 15, 2008
1TVV
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BU of 1tvv by Molmil
CONTRIBUTIONS OF ORIENTATION AND HYDROGEN BONDING TO CATALYSIS IN ASN-229 MUTANTS OF THYMIDYLATE SYNTHASE
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
著者Finer-Moore, J, Stroud, R.M.
登録日1997-09-17
公開日1998-01-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Contributions of orientation and hydrogen bonding to catalysis in Asn229 mutants of thymidylate synthase.
J.Mol.Biol., 276, 1998
6CB5
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BU of 6cb5 by Molmil
Macrophage Migration Inhibitory Factor in complex with a Pyrazole Inhibitor (8g)
分子名称: 2-[(naphthalen-2-yl)oxy]-5-(1H-pyrazol-4-yl)benzoic acid, Macrophage migration inhibitory factor, SULFATE ION
著者Krimmer, S.G, Robertson, M.J, Jorgensen, W.L.
登録日2018-02-02
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Optimization of Pyrazoles as Phenol Surrogates to Yield Potent Inhibitors of Macrophage Migration Inhibitory Factor.
ChemMedChem, 13, 2018
7LJE
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BU of 7lje by Molmil
Discovery of Spirohydantoins as Selective, Orally Bioavailable Inhibitors of p300/CBP Histone Acetyltransferases
分子名称: 2-[4-[(3'R,4S)-3'-fluoro-1-[2-[(4-fluorophenyl)methyl-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]amino]-2-oxo-ethyl]-2,5-dioxo-spiro[imidazolidine-4,1'-indane]-5'-yl]pyrazol-1-yl]-N-methyl-acetamide, Histone acetyltransferase p300
著者Jakob, C.G.
登録日2021-01-29
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.607 Å)
主引用文献Discovery of spirohydantoins as selective, orally bioavailable inhibitors of p300/CBP histone acetyltransferases.
Bioorg.Med.Chem.Lett., 39, 2021
4ERO
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BU of 4ero by Molmil
Study on structure and function relationships in human Pirin with Cobalt ion
分子名称: 1,2-ETHANEDIOL, COBALT (II) ION, Pirin
著者Liu, F, Rehmani, I, Fu, R, Esaka, S, Chen, L, Serrano, V, Liu, A.
登録日2012-04-20
公開日2013-05-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Pirin is an iron-dependent redox regulator of NF-kappa B.
Proc.Natl.Acad.Sci.USA, 110, 2013
4EEF
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Crystal structure of the designed inhibitor protein F-HB80.4 in complex with the 1918 influenza virus hemagglutinin.
分子名称: F-HB80.4, DESIGNED HEMAGGLUTININ BINDING PROTEIN, Hemagglutinin HA1 chain, ...
著者Dreyfus, C, Wilson, I.A.
登録日2012-03-28
公開日2012-06-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.704 Å)
主引用文献Optimization of affinity, specificity and function of designed influenza inhibitors using deep sequencing.
Nat.Biotechnol., 30, 2012
4IHL
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BU of 4ihl by Molmil
Human 14-3-3 isoform zeta in complex with a diphoyphorylated C-RAF peptide and Cotylenin A
分子名称: (1R,3aS,4R,5R,6R,9aR,10E)-6-({(1S,2R,4S,5R,6R,8S,9S)-5-hydroxy-2-(methoxymethyl)-9-methyl-9-[(2S)-oxiran-2-yl]-3,7,10,1 1-tetraoxatricyclo[6.2.1.0~1,6~]undec-4-yl}oxy)-1-(methoxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a-de cahydrodicyclopenta[a,d][8]annulene-1,5-diol, 14-3-3 protein zeta/delta, POTASSIUM ION, ...
著者Molzan, M, Ottmann, C.
登録日2012-12-19
公開日2013-09-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Stabilization of Physical RAF/14-3-3 Interaction by Cotylenin A as Treatment Strategy for RAS Mutant Cancers.
Acs Chem.Biol., 8, 2013
2ZW7
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BU of 2zw7 by Molmil
Crystal structure of bleomycin N-acetyltransferase complexed with bleomycin A2 and coenzyme A
分子名称: BLEOMYCIN A2, Bleomycin acetyltransferase, COENZYME A
著者Oda, K, Matoba, Y, Sugiyama, M.
登録日2008-12-01
公開日2009-11-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Catalytic mechanism of bleomycin N-acetyltransferase proposed on the basis of its crystal structure.
J.Biol.Chem., 285, 2010
1UJ2
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BU of 1uj2 by Molmil
Crystal structure of human uridine-cytidine kinase 2 complexed with products, CMP and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, CYTIDINE-5'-MONOPHOSPHATE, MAGNESIUM ION, ...
著者Suzuki, N.N, Koizumi, K, Fukushima, M, Matsuda, A, Inagaki, F.
登録日2003-07-25
公開日2004-05-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for the specificity, catalysis, and regulation of human uridine-cytidine kinase
STRUCTURE, 12, 2004
2ZW5
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BU of 2zw5 by Molmil
Crystal structure of bleomycin N-acetyltransferase complexed with coenzyme A in the trigonal crystal
分子名称: Bleomycin acetyltransferase, COENZYME A
著者Oda, K, Matoba, Y, Sugiyama, M.
登録日2008-12-01
公開日2009-11-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Catalytic mechanism of bleomycin N-acetyltransferase proposed on the basis of its crystal structure.
J.Biol.Chem., 285, 2010
4GUL
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BU of 4gul by Molmil
Study on structure and function relationships in human ferric Pirin
分子名称: FE (III) ION, Pirin
著者Liu, F, Rehmani, I, Fu, R, Esaka, S, Chen, L, Serrano, V, Liu, A.
登録日2012-08-29
公開日2013-05-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Pirin is an iron-dependent redox regulator of NF-kappa B.
Proc.Natl.Acad.Sci.USA, 110, 2013
1J1C
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BU of 1j1c by Molmil
Binary complex structure of human tau protein kinase I with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Glycogen synthase kinase-3 beta, MAGNESIUM ION
著者Aoki, M, Yokota, T, Sugiura, I, Sasaki, C, Hasegawa, T, Okumura, C, Kohno, T, Sugio, S, Matsuzaki, T.
登録日2002-12-03
公開日2003-12-03
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural insight into nucleotide recognition in tau-protein kinase I/glycogen synthase kinase 3 beta.
Acta Crystallogr.,Sect.D, 60, 2004
2ZW4
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BU of 2zw4 by Molmil
Crystal structure of bleomycin N-acetyltransferase complexed with coenzyme A in the orthorhombic crystal
分子名称: Bleomycin acetyltransferase, COENZYME A, SULFATE ION
著者Oda, K, Matoba, Y, Sugiyama, M.
登録日2008-12-01
公開日2009-11-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Catalytic mechanism of bleomycin N-acetyltransferase proposed on the basis of its crystal structure.
J.Biol.Chem., 285, 2010
2ZNF
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BU of 2znf by Molmil
HIGH-RESOLUTION STRUCTURE OF AN HIV ZINC FINGERLIKE DOMAIN VIA A NEW NMR-BASED DISTANCE GEOMETRY APPROACH
分子名称: GAG POLYPROTEIN, ZINC ION
著者Summers, M.F, South, T.L, Kim, B, Hare, D.R.
登録日1990-03-30
公開日1991-10-15
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献High-resolution structure of an HIV zinc fingerlike domain via a new NMR-based distance geometry approach.
Biochemistry, 29, 1990
3A29
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BU of 3a29 by Molmil
Crystal structure of human liver FBPase in complex with tricyclic inhibitor
分子名称: 2-amino-4,5-dihydronaphtho[1,2-d][1,3]thiazol-8-yl dihydrogen phosphate, Fructose-1,6-bisphosphatase 1
著者Takahashi, M, Sone, J, Hanzawa, H.
登録日2009-05-08
公開日2009-10-06
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Synthesis, SAR, and X-ray structure of tricyclic compounds as potent FBPase inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
3VQ7
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BU of 3vq7 by Molmil
HIV-1 IN core domain in complex with 4-(1H-pyrrol-1-yl)aniline
分子名称: 4-(1H-pyrrol-1-yl)aniline, CADMIUM ION, POL polyprotein, ...
著者Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J.
登録日2012-03-20
公開日2013-01-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
1IZ3
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BU of 1iz3 by Molmil
Dimeric structure of FIH (Factor inhibiting HIF)
分子名称: FIH, SULFATE ION
著者Lee, C, Kim, S.-J, Jeong, D.-G, Lee, S.M, Ryu, S.-E.
登録日2002-09-19
公開日2003-06-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of human FIH-1 reveals a unique active site pocket and interaction sites for HIF-1 and von Hippel-Lindau.
J.Biol.Chem., 278, 2003
1JUO
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BU of 1juo by Molmil
Crystal Structure of Calcium-free Human Sorcin: A Member of the Penta-EF-Hand Protein Family
分子名称: sorcin
著者Xie, X.
登録日2001-08-24
公開日2002-01-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of calcium-free human sorcin: a member of the penta-EF-hand protein family.
Protein Sci., 10, 2001
3VQA
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HIV-1 IN core domain in complex with 1-benzothiophen-6-amine 1,1-dioxide
分子名称: 1-benzothiophen-6-amine 1,1-dioxide, CADMIUM ION, POL polyprotein, ...
著者Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J.
登録日2012-03-20
公開日2013-01-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
1X9C
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An all-RNA Hairpin Ribozyme with mutation U39C
分子名称: 5'-R(*CP*GP*GP*UP*GP*AP*GP*AP*AP*GP*GP*G)-3', 5'-R(*GP*GP*CP*AP*GP*AP*GP*AP*AP*AP*CP*AP*CP*AP*CP*GP*A)-3', 5'-R(*UP*CP*CP*CP*(A2M)P*GP*UP*CP*CP*AP*CP*CP*G)-3', ...
著者Alam, S, Grum-Tokars, V, Krucinska, J, Kundracik, M.L, Wedekind, J.E.
登録日2004-08-20
公開日2005-11-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Conformational Heterogeneity at Position U37 of an All-RNA Hairpin Ribozyme with Implications for Metal Binding and the Catalytic Structure of the S-Turn.
Biochemistry, 44, 2005
1JI8
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Solution Structure of Pyrobaculum Aerophilum DsrC/gamma subunit of dissimilatory sulfite reductase
分子名称: dissimilatory siroheme-sulfite reductase
著者Cort, J.R, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
登録日2001-06-29
公開日2001-12-05
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Solution structure of Pyrobaculum aerophilum DsrC, an archaeal homologue of the gamma subunit of dissimilatory sulfite reductase.
Eur.J.Biochem., 268, 2001
2ZU6
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BU of 2zu6 by Molmil
crystal structure of the eIF4A-PDCD4 complex
分子名称: 1,2-ETHANEDIOL, ACETIC ACID, Eukaryotic initiation factor 4A-I, ...
著者Cho, Y, Chang, J.H, Sohn, S.Y.
登録日2008-10-13
公開日2009-02-24
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the eIF4A-PDCD4 complex
Proc.Natl.Acad.Sci.Usa, 106, 2009
2ZBS
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Crystal structure of human estrogen-related receptor gamma ligand binding domain apo form
分子名称: Estrogen-related receptor gamma
著者Matsushima, A, Kakuta, Y, Teramoto, T, Shimohigashi, Y.
登録日2007-10-27
公開日2008-10-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献ERRgamma tethers strongly bisphenol A and 4-alpha-cumylphenol in an induced-fit manner
Biochem.Biophys.Res.Commun., 373, 2008

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