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8CEW
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BU of 8cew by Molmil
Crystal structure of human DNA cross-link repair 1A in complex with N-hydroxyimide inhibitor H1
分子名称: 6-methoxy-2-oxidanyl-benzo[de]isoquinoline-1,3-dione, DIMETHYL SULFOXIDE, DNA cross-link repair 1A protein, ...
著者Newman, J.A, Yosaatmadja, Y, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O.
登録日2023-02-02
公開日2024-02-21
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Crystal structure of human DNA cross-link repair 1A in complex with N-hydroxyimide inhibitor H1
To Be Published
8CG9
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BU of 8cg9 by Molmil
Crystal structure of human DNA cross-link repair 1A in complex with a cyclic N-hydroxyurea inhibitor
分子名称: 1-[(2S)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]-3-hydroxythieno[3,2-d]pyrimidine-2,4(1H,3H)-dione, 1-[[(3~{R})-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-oxidanyl-thieno[3,2-d]pyrimidine-2,4-dione, DNA cross-link repair 1A protein, ...
著者Newman, J.A, Yosaatmadja, Y, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O.
登録日2023-02-03
公開日2024-02-21
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Crystal structure of human DNA cross-link repair 1A in complex with a cyclic N-hydroxyurea inhibitor
To Be Published
8CF0
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BU of 8cf0 by Molmil
Crystal structure of human DNA cross-link repair 1A in complex with quinoxalinedione inhibitor H2
分子名称: 9-chloranyl-1,4-dihydropyrazino[2,3-c]quinoline-2,3-dione, DIMETHYL SULFOXIDE, DNA cross-link repair 1A protein, ...
著者Newman, J.A, Yosaatmadja, Y, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O.
登録日2023-02-02
公開日2024-02-21
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Crystal structure of human DNA cross-link repair 1A in complex with quinoxalinedione inhibitor H2
To Be Published
5DP0
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BU of 5dp0 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a 4-fluorophenylamino-substituted triaryl-ethylene derivative 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
分子名称: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-09-11
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.382 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
2D47
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BU of 2d47 by Molmil
MOLECULAR STRUCTURE OF A COMPLETE TURN OF A-DNA
分子名称: DNA (5'-D(*CP*CP*CP*CP*CP*GP*CP*GP*GP*GP*GP*G)-3'), SPERMINE
著者Verdaguer, N, Aymami, J, Fernandez-Forner, D, Fita, I, Coll, M, Huynh-Dinh, T, Igolen, J, Subirana, J.A.
登録日1991-10-02
公開日1991-10-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular structure of a complete turn of A-DNA.
J.Mol.Biol., 221, 1991
2D30
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BU of 2d30 by Molmil
Crystal Structure of Cytidine Deaminase Cdd-2 (BA4525) from Bacillus Anthracis at 2.40A Resolution
分子名称: ZINC ION, cytidine deaminase
著者Levdikov, V.M, Blagova, E.V, Fogg, M.J, Brannigan, J.A, Moroz, O.V, Wilkinson, A.J, Wilson, K.S, Structural Proteomics in Europe (SPINE)
登録日2005-09-21
公開日2006-09-19
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of Cytidine Deaminase Cdd-2 (BA4525) from Bacillus Anthracis at 2.40A Resolution
To be Published
5EC0
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BU of 5ec0 by Molmil
Crystal Structure of Actin-like protein Alp7A
分子名称: ADENOSINE-5'-DIPHOSPHATE, Alp7A, GLYCEROL, ...
著者Petek, N.A, Kraemer, J.A, Mullins, R.D, Agard, D.A, DiMaio, F, Baker, D.
登録日2015-10-20
公開日2016-11-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and function of Alp7A reveal both conserved and unique features of plasmid segregation.
To Be Published
5DRJ
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BU of 5drj by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a dichloro-substituted, 3-methyl 2,5-diarylthiophene-core ligand 4,4'-(3-methylthiene-2,5-diyl)bis(3-chlorophenol)
分子名称: 4,4'-(3-methylthiene-2,5-diyl)bis(3-chlorophenol), Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-09-15
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5DWJ
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BU of 5dwj by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Resorcinyl 4-Fluoro-substituted Diaryl-imine analog 4-[(E)-[(4-fluorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol
分子名称: 4-[(E)-[(4-fluorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Wright, N.J, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-09-22
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5DWI
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BU of 5dwi by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Resorcinyl 2-Chloro-substituted Diaryl-imine analog 4-[(E)-[(2-chlorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol
分子名称: 4-[(E)-[(2-chlorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Wright, N.J, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-09-22
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5DXP
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BU of 5dxp by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(phenyl)methyl]phenol
分子名称: 4-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(phenyl)methyl]phenol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-09-23
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5DZI
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BU of 5dzi by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3S)-3-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol
分子名称: 4,4'-{[(3S)-3-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-09-25
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5DZ0
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BU of 5dz0 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-[(4-methylcyclohexylidene)methanediyl]diphenol
分子名称: 4,4'-[(4-methylcyclohexylidene)methanediyl]diphenol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-09-25
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
3IFV
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BU of 3ifv by Molmil
Crystal structure of the Haloferax volcanii proliferating cell nuclear antigen
分子名称: PCNA, SODIUM ION
著者Winter, J.A, Christofi, P, Morroll, S, Bunting, K.A.
登録日2009-07-26
公開日2009-09-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structure of Haloferax volcanii proliferating cell nuclear antigen reveals unique surface charge characteristics due to halophilic adaptation
Bmc Struct.Biol., 9, 2009
3IJQ
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BU of 3ijq by Molmil
Structure of dipeptide epimerase from Bacteroides thetaiotaomicron complexed with L-Ala-D-Glu; productive substrate binding.
分子名称: ALANINE, D-GLUTAMIC ACID, MAGNESIUM ION, ...
著者Fedorov, A.A, Fedorov, E.V, Lukk, T, Gerlt, J.A, Almo, S.C.
登録日2009-08-04
公開日2010-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
8C0S
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BU of 8c0s by Molmil
Crystal structure of S. aureus BlaR1 sensor domain in complex with an imidazole inhibitor
分子名称: 3-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-(hydroxymethyl)-1~{H}-imidazole-2-thione, Regulatory protein BlaR1
著者Miguel-Ruano, V, Hermoso, J.A.
登録日2022-12-19
公開日2024-07-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Restoring Susceptibility to b-Lactam Antibiotics in Methicillin-Sensitive and Methicillin-Resistant Staphylococcus aureus
To Be Published
8C0P
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BU of 8c0p by Molmil
Crystal structure of S. aureus BlaR1 sensor domain in complex with a boronate inhibitor
分子名称: Regulatory protein BlaR1, [1-[[2,4-bis(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]sulfanylmethyl-$l^{3}-oxidanyl-bis(oxidanyl)boron
著者Miguel-Ruano, V, Jimenez-Faraco, E, Hermoso, J.A.
登録日2022-12-19
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Restoring Susceptibility to b-Lactam Antibiotics in Methicillin-Sensitive and Methicillin-Resistant Staphylococcus aureus
To Be Published
5EHD
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BU of 5ehd by Molmil
Crystal structure of human nucleophosmin-core in complex with cytochrome c
分子名称: CHLORIDE ION, Nucleophosmin
著者Bernardo-Garcia, N, Hermoso, J.A, Gonzalez-Arzola, K, Diaz-Moreno, I, De la Rosa, M.A.
登録日2015-10-28
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal structure of human nucleophosmin-core in complex with cytochrome c
To Be Published
2BN0
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BU of 2bn0 by Molmil
Banana Lectin bound to Laminaribiose
分子名称: CADMIUM ION, RIPENING-ASSOCIATED PROTEIN, SULFATE ION, ...
著者Meagher, J.L, Winter, H.C, Ezell, P, Goldstein, I.J, Stuckey, J.A.
登録日2005-03-17
公開日2005-06-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of Banana Lectin Reveals a Novel Second Sugar Binding Site.
Glycobiology, 15, 2005
5EVF
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BU of 5evf by Molmil
Crystal structure of a Francisella virulence factor FvfA in the hexagonal form
分子名称: CHLORIDE ION, Francisella virulence factor, GLYCEROL
著者Kolappan, S, Lo, K.Y, Shen, C.L.J, Guttman, J.A, Craig, L.
登録日2015-11-19
公開日2016-10-26
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (1.762 Å)
主引用文献Structure of the conserved Francisella virulence protein FvfA.
Acta Crystallogr D Struct Biol, 73, 2017
2BZB
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BU of 2bzb by Molmil
NMR Solution Structure of a protein aspartic acid phosphate phosphatase from Bacillus Anthracis
分子名称: CONSERVED DOMAIN PROTEIN
著者Grenha, R, Rzechorzek, N.J, Brannigan, J.A, Ab, E, Folkers, G.E, De Jong, R.N, Diercks, T, Wilkinson, A.J, Kaptein, R, Wilson, K.S.
登録日2005-08-14
公開日2006-09-25
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural characterization of Spo0E-like protein-aspartic acid phosphatases that regulate sporulation in bacilli.
J. Biol. Chem., 281, 2006
2BW2
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BU of 2bw2 by Molmil
BofC from Bacillus subtilis
分子名称: BYPASS OF FORESPORE C
著者Patterson, H.M, Brannigan, J.A, Cutting, S.M, Wilson, K.S, Wilkinson, A.J, Ab, E, Diercks, T, Folkers, G.E, de Jong, R.N, Truffault, V, Kaptein, R.
登録日2005-07-08
公開日2005-09-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The structure of bypass of forespore C, an intercompartmental signaling factor during sporulation in Bacillus.
J. Biol. Chem., 280, 2005
3ID8
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BU of 3id8 by Molmil
Ternary complex of human pancreatic glucokinase crystallized with activator, glucose and AMP-PNP
分子名称: 2-AMINO-4-FLUORO-5-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]-N-(1,3-THIAZOL-2-YL)BENZAMIDE, Glucokinase, MAGNESIUM ION, ...
著者Petit, P, Gluais, L, Lagarde, A, Boutin, J.A, Ferry, G, Vuillard, L.
登録日2009-07-20
公開日2010-07-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The active conformation of human glucokinase is not altered by allosteric activators
Acta Crystallogr.,Sect.D, 67, 2011
3IFB
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BU of 3ifb by Molmil
NMR STUDY OF HUMAN INTESTINAL FATTY ACID BINDING PROTEIN
分子名称: INTESTINAL FATTY ACID BINDING PROTEIN
著者Zhang, F, Luecke, C, Baier, L.J, Sacchettini, J.C, Hamilton, J.A.
登録日1998-10-16
公開日1998-10-21
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution structure of human intestinal fatty acid binding protein: implications for ligand entry and exit.
J.Biomol.NMR, 9, 1997
3IFX
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BU of 3ifx by Molmil
Crystal structure of the Spin-labeled KcsA mutant V48R1
分子名称: POTASSIUM ION, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, TETRABUTYLAMMONIUM ION, ...
著者Cieslak, J.A, Focia, P.J, Gross, A.
登録日2009-07-26
公開日2010-02-09
最終更新日2023-09-06
実験手法EPR (3.56 Å), X-RAY DIFFRACTION
主引用文献Electron Spin-Echo Envelope Modulation (ESEEM) Reveals Water and Phosphate Interactions with the KcsA Potassium Channel
Biochemistry, 49, 2010

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