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3DR1
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BU of 3dr1 by Molmil
Side-chain fluorine atoms of non-steroidal vitamin D3 analogs stabilize helix 12 of vitamin D receptor
分子名称: (1R,3R)-5-[(2E)-3-{(1S,3R)-2,2,3-trimethyl-3-[6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-3-yn-1-yl]cyclopentyl}prop-2-en-1-ylidene]cyclohexane-1,3-diol, MAGNESIUM ION, SRC-1 (LXXLL motif) from Nuclear receptor coactivator 1, ...
著者Sato, Y, Rochel, N, Moras, D.
登録日2008-07-10
公開日2009-06-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Superagonistic fluorinated vitamin D3 analogs stabilize helix 12 of the vitamin D receptor.
Chem.Biol., 15, 2008
3DZJ
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BU of 3dzj by Molmil
Crystal structure of human CD38 extracellular domain E226Q mutant, NMN complex
分子名称: ADP-ribosyl cyclase 1, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE
著者Liu, Q, Kriksunov, I.A, Jiang, H, Graeff, R, Lin, H, Lee, H.C, Hao, Q.
登録日2008-07-29
公開日2008-11-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Covalent and Noncovalent Intermediates of an NAD Utilizing Enzyme, Human CD38.
Chem.Biol., 15, 2008
3DVU
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BU of 3dvu by Molmil
Crystal structure of the complex of murine gamma-herpesvirus 68 Bcl-2 homolog M11 and the Beclin 1 BH3 domain
分子名称: Beclin-1, V-bcl-2
著者Sinha, S.
登録日2008-07-20
公開日2008-10-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular basis of the regulation of Beclin 1-dependent autophagy by the gamma-herpesvirus 68 Bcl-2 homolog M11.
Autophagy, 4, 2008
3E17
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BU of 3e17 by Molmil
Crystal structure of the second PDZ domain from human Zona Occludens-2
分子名称: Tight junction protein ZO-2
著者Chen, H, Tong, S.L, Teng, M.K, Niu, L.W.
登録日2008-08-01
公開日2009-07-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure of the second PDZ domain from human zonula occludens 2
Acta Crystallogr.,Sect.F, 65, 2009
3GTJ
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BU of 3gtj by Molmil
Backtracked RNA polymerase II complex with 13mer RNA
分子名称: DNA (28-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ...
著者Wang, D, Bushnell, D.A, Huang, X, Westover, K.D, Levitt, M, Kornberg, R.D.
登録日2009-03-27
公開日2009-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.42 Å)
主引用文献Structural basis of transcription: backtracked RNA polymerase II at 3.4 angstrom resolution.
Science, 324, 2009
3GS0
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BU of 3gs0 by Molmil
Human transthyretin (TTR) complexed with (S)-3-(9H-fluoren-9-ylideneaminooxy)-2-methylpropanoic acid (inhibitor 16)
分子名称: (2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid, Transthyretin
著者Mohamedmohaideen, N.N, Palaninathan, S.K, Orlandini, E, Sacchettini, J.C.
登録日2009-03-26
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis.
Plos One, 4, 2009
3GSX
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BU of 3gsx by Molmil
Crystal structure of the binary complex between HLA-A2 and HCMV NLV-T8V peptide variant
分子名称: Beta-2-microglobulin, HCMV pp65 fragment 495-503, variant T8V (NLVPMVAVV), ...
著者Reiser, J.-B, Saulquin, X, Gras, S, Debeaupuis, E, Echasserieau, K, Kissenpfennig, A, Legoux, F, Chouquet, A, Le Gorrec, M, Machillot, P, Neveu, B, Thielens, N, Malissen, B, Bonneville, M, Housset, D.
登録日2009-03-27
公開日2009-08-04
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural bases for the affinity-driven selection of a public TCR against a dominant human cytomegalovirus epitope.
J.Immunol., 183, 2009
3GU5
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BU of 3gu5 by Molmil
Crystal structure of DAPKQ23V-AMPPNP-Mg2+
分子名称: Death-associated protein kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者McNamara, L.K, Schavocky, J.S, Watterson, D.M, Brunzelle, J.S.
登録日2009-03-28
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Enzyme activity and crystallographic analyses of a glycine-rich loop mutant of DAPK
To be Published
3H1V
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BU of 3h1v by Molmil
Human glucokinase in complex with a synthetic activator
分子名称: 1-({5-[4-(methylsulfonyl)phenoxy]-2-pyridin-2-yl-1H-benzimidazol-6-yl}methyl)pyrrolidine-2,5-dione, Glucokinase, SODIUM ION, ...
著者Kamata, K, Takahashi, K.
登録日2009-04-14
公開日2009-10-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献The design and optimization of a series of 2-(pyridin-2-yl)-1H-benzimidazole compounds as allosteric glucokinase activators.
Bioorg.Med.Chem., 17, 2009
3HB4
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17beta-hydroxysteroid dehydrogenase type1 complexed with E2B
分子名称: 3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide, Estradiol 17-beta-dehydrogenase 1
著者Mazumdar, M, Fournier, D, Zhu, D.-W, Cadot, C, Poirier, D, Lin, S.-X.
登録日2009-05-04
公開日2009-12-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Binary and ternary crystal structure analyses of a novel inhibitor with 17beta-HSD type 1: a lead compound for breast cancer therapy.
Biochem.J., 424, 2009
3HCC
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BU of 3hcc by Molmil
Crystal Structure of hPNMT in Complex With anti-9-amino-5-(trifluromethyl) benzonorbornene and AdoHcy
分子名称: (1S,4R,9S)-5-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-9-amine, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Drinkwater, N, Martin, J.L, Gee, C.L, Puri, M.
登録日2009-05-06
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular recognition of physiological substrate noradrenaline by the adrenaline-synthesizing enzyme PNMT and factors influencing its methyltransferase activity.
Biochem.J., 422, 2009
3GQP
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BU of 3gqp by Molmil
Crystal structure determination of cat (Felis silvestris catus) hemoglobin at 2.0 angstrom resolution
分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta-A/B, PROTOPORPHYRIN IX CONTAINING FE
著者Balasubramanian, M, Sathya Moorthy, P, Neelagandan, K, Ponnuswamy, M.N.
登録日2009-03-24
公開日2010-03-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure determination of cat (Felis silvestris catus) hemoglobin at 2 angstrom resolution
To be Published
3GSW
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BU of 3gsw by Molmil
Crystal structure of the binary complex between HLA-A2 and HCMV NLV-T8A peptide variant
分子名称: Beta-2-microglobulin, HCMV pp65 fragment 495-503, variant T8A (NLVPMVAAV), ...
著者Reiser, J.-B, Saulquin, X, Gras, S, Debeaupuis, E, Echasserieau, K, Kissenpfennig, A, Legoux, F, Chouquet, A, Le Gorrec, M, Machillot, P, Neveu, B, Thielens, N, Malissen, B, Bonneville, M, Housset, D.
登録日2009-03-27
公開日2009-08-04
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structural bases for the affinity-driven selection of a public TCR against a dominant human cytomegalovirus epitope.
J.Immunol., 183, 2009
3GT8
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BU of 3gt8 by Molmil
Crystal structure of the inactive EGFR kinase domain in complex with AMP-PNP
分子名称: Epidermal growth factor receptor, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Jura, N, Endres, N.F, Engel, K, Deindl, S, Das, R, Lamers, M.H, Wemmer, D.E, Zhang, X, Kuriyan, J.
登録日2009-03-27
公開日2009-07-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.955 Å)
主引用文献Mechanism for activation of the EGF receptor catalytic domain by the juxtamembrane segment.
Cell(Cambridge,Mass.), 137, 2009
3GUG
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BU of 3gug by Molmil
Crystal structure of AKR1C1 L308V mutant in complex with NADP and 3,5-dichlorosalicylic acid
分子名称: 3,5-dichloro-2-hydroxybenzoic acid, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Dhagat, U, El-Kabbani, O.
登録日2009-03-30
公開日2010-02-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of AKR1C1 L308V mutant in complex with NADP and 3,5-dichlorosalicylic acid
To be Published
3GU8
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BU of 3gu8 by Molmil
Crystal structure of DAPKL93G with N6-cyclopentyladenosine
分子名称: Death-associated protein kinase 1, N6-cyclopentyladenosine
著者McNamara, L.K, Schumacher, A.M, Schavocky, J.S, Watterson, D.M, Brunzelle, J.S.
登録日2009-03-28
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structures of the DAPK gatekeeper mutant with N6-modified adenosine analogs.
To be Published
3GUR
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BU of 3gur by Molmil
Crystal Structure of mu class glutathione S-transferase (GSTM2-2) in complex with glutathione and 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol (NBDHEX)
分子名称: 1,2-ETHANEDIOL, GLUTATHIONE, Glutathione S-transferase Mu 2, ...
著者Federici, L, Lo Sterzo, C, Di Matteo, A, Scaloni, F, Federici, G, Caccuri, A.M.
登録日2009-03-30
公開日2009-10-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for the binding of the anticancer compound 6-(7-nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol to human glutathione s-transferases
Cancer Res., 69, 2009
3G99
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BU of 3g99 by Molmil
GR DNA binding domain:Pal complex-9
分子名称: 1,2-ETHANEDIOL, BROMIDE ION, DNA (5'-D(*AP*AP*GP*AP*AP*CP*AP*TP*TP*TP*TP*GP*TP*TP*CP*T)-3'), ...
著者Pufall, M.A, Yamamoto, K.R, Meijsing, S.H.
登録日2009-02-13
公開日2009-04-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献DNA binding site sequence directs glucocorticoid receptor structure and activity.
Science, 324, 2009
3G9P
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BU of 3g9p by Molmil
GR DNA binding domain:Sgk 16bp complex-7
分子名称: DNA (5'-D(*AP*AP*GP*AP*AP*CP*AP*TP*TP*TP*TP*GP*TP*CP*CP*G)-3'), DNA (5'-D(*TP*CP*GP*GP*AP*CP*AP*AP*AP*AP*TP*GP*TP*TP*CP*T)-3'), Glucocorticoid receptor, ...
著者Pufall, M.A, Yamamoto, K.R, Meijsing, S.H.
登録日2009-02-13
公開日2009-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.652 Å)
主引用文献DNA binding site sequence directs glucocorticoid receptor structure and activity.
Science, 324, 2009
3G9I
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BU of 3g9i by Molmil
GR DNA Binding domain: Pal complex-35
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*AP*AP*GP*AP*AP*CP*AP*TP*TP*TP*TP*GP*TP*TP*CP*T)-3'), DNA (5'-D(*TP*AP*GP*AP*AP*CP*AP*AP*AP*AP*TP*GP*TP*TP*CP*T)-3'), ...
著者Pufall, M.A, Yamamoto, K.R, Meijsing, S.H.
登録日2009-02-13
公開日2009-04-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献DNA binding site sequence directs glucocorticoid receptor structure and activity.
Science, 324, 2009
3GEC
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BU of 3gec by Molmil
Crystal structure of a tandem PAS domain fragment of Drosophila PERIOD
分子名称: Period circadian protein
著者Yildiz, O, Wolf, E.
登録日2009-02-25
公開日2009-06-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Structural and functional analyses of PAS domain interactions of the clock proteins Drosophila PERIOD and mouse PERIOD2
Plos Biol., 7, 2009
3GCQ
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BU of 3gcq by Molmil
Human P38 MAP kinase in complex with RL45
分子名称: 1-{4-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
登録日2009-02-22
公開日2009-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors.
J.Am.Chem.Soc., 131, 2009
3GR4
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Activator-Bound Structure of Human Pyruvate Kinase M2
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 1-[(2,6-difluorophenyl)sulfonyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine, ADENOSINE-5'-DIPHOSPHATE, ...
著者Hong, B, Dimov, S, Tempel, W, Auld, D, Thomas, C, Boxer, M, Jianq, J.-K, Skoumbourdis, A, Min, S, Southall, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Inglese, J, Park, H, Structural Genomics Consortium (SGC)
登録日2009-03-24
公開日2009-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Activator-Bound Structures of Human Pyruvate Kinase M2
to be published
3GN7
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PARP complexed with A861696
分子名称: 2-[(2S)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-7-carboxamide, Poly [ADP-ribose] polymerase 1
著者Park, C.H.
登録日2009-03-16
公開日2010-03-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献PARP complexed with A861696
To be Published
3GU4
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Crystal structure of DAPKQ23V-AMPPNP
分子名称: Death-associated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者McNamara, L.K, Schavocky, J.S, Watterson, D.M, Brunzelle, J.S.
登録日2009-03-28
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Enzymatic activity and crystallgoraphic analyses of a glycine-rich loop mutant of DAPK
To be Published

223790

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