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5TF7
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BU of 5tf7 by Molmil
Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
著者Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F.
登録日2016-09-24
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.931 Å)
主引用文献Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
5TFF
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BU of 5tff by Molmil
Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with UTP
分子名称: Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, URIDINE 5'-TRIPHOSPHATE
著者Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F.
登録日2016-09-25
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.891 Å)
主引用文献Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
5TGK
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BU of 5tgk by Molmil
Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dATP
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
著者Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F.
登録日2016-09-28
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.912 Å)
主引用文献Ligand binding to a remote site thermodynamically corrects the F508del mutation in the human cystic fibrosis transmembrane conductance regulator.
J. Biol. Chem., 2018
3MTN
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BU of 3mtn by Molmil
Usp21 in complex with a ubiquitin-based, USP21-specific inhibitor
分子名称: CHLORIDE ION, GLYCEROL, UBIQUITIN VARIANT UBV.21.4, ...
著者Walker, J.R, Avvakumov, G.V, Xue, S, Li, Y, Ernst, A, Sidhu, S, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2010-04-30
公開日2010-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A strategy for modulation of enzymes in the ubiquitin system.
Science, 339, 2013
7KD1
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BU of 7kd1 by Molmil
Apo structure of the THF riboswitch aptamer domain
分子名称: MAGNESIUM ION, SULFATE ION, tetrahydrofolate riboswitch aptamer domain
著者Wilt, H.M, Stagno, J.R, Wang, Y.-X.
登録日2020-10-07
公開日2021-03-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Tying the knot in the tetrahydrofolate (THF) riboswitch: A molecular basis for gene regulation.
J.Struct.Biol., 213, 2021
3DB3
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BU of 3db3 by Molmil
Crystal structure of the tandem tudor domains of the E3 ubiquitin-protein ligase UHRF1 in complex with trimethylated histone H3-K9 peptide
分子名称: E3 ubiquitin-protein ligase UHRF1, Trimethylated histone H3-K9 peptide
著者Walker, J.R, Avvakumov, G.V, Xue, S, Dong, A, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2008-05-30
公開日2008-09-16
最終更新日2012-04-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Recognition of multivalent histone states associated with heterochromatin by UHRF1 protein.
J.Biol.Chem., 286, 2011
3MBW
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BU of 3mbw by Molmil
Crystal structure of the human ephrin A2 LBD and CRD domains in complex with ephrin A1
分子名称: Ephrin type-A receptor 2, Ephrin-A1, UNKNOWN ATOM OR ION, ...
著者Walker, J.R, Yermekbayeva, L, Seitova, A, Butler-Cole, C, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2010-03-26
公開日2010-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Architecture of Eph receptor clusters.
Proc.Natl.Acad.Sci.USA, 107, 2010
3MO2
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BU of 3mo2 by Molmil
human G9a-like (GLP, also known as EHMT1) in complex with inhibitor E67
分子名称: 7-[(5-aminopentyl)oxy]-N~4~-(1-benzylpiperidin-4-yl)-N~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine, Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, ...
著者Chang, Y, Horton, J.R, Cheng, X.
登録日2010-04-22
公開日2010-06-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Adding a lysine mimic in the design of potent inhibitors of histone lysine methyltransferases.
J.Mol.Biol., 400, 2010
5TBS
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BU of 5tbs by Molmil
Crystal Structure of Isoform 2 of Purine Nucleoside Phosphorylase complexed with adenine
分子名称: ADENINE, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase
著者Faheem, M, Torini, J.R, Romanello, L, Brandao-Neto, J, Pereira, H.M.
登録日2016-09-13
公開日2017-10-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The molecular structure of Schistosoma mansoni PNP isoform 2 provides insights into the nucleoside selectivity of PNPs.
PLoS ONE, 13, 2018
5T6K
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BU of 5t6k by Molmil
Crystal Structure of TgCDPK1 From Toxoplasma Gondii complexed with GW780159X
分子名称: 4-(3-chlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine, Calmodulin-domain protein kinase 1, UNKNOWN ATOM OR ION
著者Jiang, D.Q, Tempel, W, Walker, J.R, El Bakkouri, M, Loppnau, P, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lovato, D.V, Osman, K.T, Structural Genomics Consortium (SGC)
登録日2016-09-01
公開日2016-11-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of CDPK1 from toxoplasma gondii complexed with SGC-1-19
to be published
5T8I
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BU of 5t8i by Molmil
PI3Kdelta in complex with the inhibitor GS-9901
分子名称: 2,4-diamino-6-{[(S)-[5-chloro-8-fluoro-4-oxo-3-(pyridin-3-yl)-3,4-dihydroquinazolin-2-yl](cyclopropyl)methyl]amino}pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Somoza, J.R, Villasenor, A.
登録日2016-09-07
公開日2016-12-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The Discovery of GS-9901: A Potent, Selective and Metabolically Stable Inhibitor of PI3Kd
To Be Published
3MZL
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BU of 3mzl by Molmil
Sec13/Sec31 edge element, loop deletion mutant
分子名称: Protein transport protein SEC13, Protein transport protein SEC31
著者Whittle, J.R, Schwartz, T.U.
登録日2010-05-12
公開日2010-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the Sec13-Sec16 edge element, a template for assembly of the COPII vesicle coat.
J.Cell Biol., 190, 2010
7LSE
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BU of 7lse by Molmil
Crystal structure of the human neutralizing antibody Fab fragment T025 bound to TBEV EDIII (Far Eastern Subtype)
分子名称: Envelope protein E, GLYCEROL, T025 Fab Heavy Chain, ...
著者Keeffe, J.R, Bjorkman, P.J.
登録日2021-02-18
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Broad and potent neutralizing human antibodies to tick-borne flaviviruses protect mice from disease.
J.Exp.Med., 218, 2021
7LSF
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BU of 7lsf by Molmil
Crystal structure of the human neutralizing antibody Fab fragment T025 bound to TBEV EDIII (Western Subtype)
分子名称: Envelope protein E, GLYCEROL, SODIUM ION, ...
著者Keeffe, J.R, Bjorkman, P.J.
登録日2021-02-18
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Broad and potent neutralizing human antibodies to tick-borne flaviviruses protect mice from disease.
J.Exp.Med., 218, 2021
7LSG
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BU of 7lsg by Molmil
Crystal structure of the human neutralizing antibody Fab fragment T025 bound to TBEV EDIII (Siberian Subtype)
分子名称: Core protein, T025 Fab Heavy Chain, T025 Fab Light Chain
著者Keeffe, J.R, Bjorkman, P.J.
登録日2021-02-18
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Broad and potent neutralizing human antibodies to tick-borne flaviviruses protect mice from disease.
J.Exp.Med., 218, 2021
7M0O
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BU of 7m0o by Molmil
DGT-28 EPSPS
分子名称: 3-phosphoshikimate 1-carboxyvinyltransferase, PHOSPHATE ION, POTASSIUM ION
著者Chekan, J.R, Nair, S.K.
登録日2021-03-11
公開日2021-04-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Characterization of a Glyphosate-Tolerant Enzyme from Streptomyces svecius : A Distinct Class of 5-Enolpyruvylshikimate-3-phosphate Synthases.
J.Agric.Food Chem., 69, 2021
3BRB
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BU of 3brb by Molmil
Crystal structure of catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, GLYCEROL, ...
著者Walker, J.R, Huang, X, Finerty Jr, P.J, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2007-12-21
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insights into the inhibited states of the Mer receptor tyrosine kinase.
J.Struct.Biol., 165, 2009
3M7M
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BU of 3m7m by Molmil
Crystal structure of monomeric hsp33
分子名称: 33 kDa chaperonin
著者Chi, S.W, Jeong, D.G, Woo, J.R, Park, B.C, Ryu, S.E, Kim, S.J.
登録日2010-03-16
公開日2011-01-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of monomeric hsp33
To be Published
5TCM
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BU of 5tcm by Molmil
First Bromodomain from Leishmania donovani LdBPK.091320 complexed with BI-2536
分子名称: 1,2-ETHANEDIOL, 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Uncharacterized protein
著者Lin, Y.H, Hou, C.F.D, Loppnau, P, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC)
登録日2016-09-15
公開日2016-10-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献First Bromodomain from Leishmania donovani LdBPK.091320 complexed with BI-2536
To be published
3C8X
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BU of 3c8x by Molmil
Crystal structure of the ligand binding domain of human Ephrin A2 (Epha2) receptor protein kinase
分子名称: Ephrin type-A receptor 2
著者Walker, J.R, Yermekbayeva, L, Seitova, A, Butler-Cole, C, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2008-02-14
公開日2008-03-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Architecture of Eph receptor clusters.
Proc.Natl.Acad.Sci.USA, 107, 2010
3MO5
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BU of 3mo5 by Molmil
Human G9a-like (GLP, also known as EHMT1) in complex with inhibitor E72
分子名称: 7-[(5-aminopentyl)oxy]-N~4~-[1-(5-aminopentyl)piperidin-4-yl]-N~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine, Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, ...
著者Chang, Y, Horton, J.R, Cheng, X.
登録日2010-04-22
公開日2010-06-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Adding a lysine mimic in the design of potent inhibitors of histone lysine methyltransferases.
J.Mol.Biol., 400, 2010
5TF2
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BU of 5tf2 by Molmil
CRYSTAL STRUCTURE OF THE WD40 DOMAIN OF THE HUMAN PROLACTIN REGULATORY ELEMENT-BINDING PROTEIN
分子名称: Prolactin regulatory element-binding protein, UNKNOWN ATOM OR ION
著者Walker, J.R, Zhang, Q, Dong, A, Wernimont, A, Li, Y, He, H, Tempel, W, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Chen, Z, Tong, Y, Structural Genomics Consortium (SGC)
登録日2016-09-23
公開日2016-11-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献CRYSTAL STRUCTURE OF THE WD40 DOMAIN OF THE HUMAN PROLACTIN REGULATORY ELEMENT-BINDING PROTEIN (CASP target)
To be published
3BI7
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BU of 3bi7 by Molmil
Crystal structure of the SRA domain of E3 ubiquitin-protein ligase UHRF1
分子名称: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase UHRF1, SULFATE ION, ...
著者Walker, J.R, Avvakumov, G.V, Xue, S, Li, Y, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2007-11-30
公開日2007-12-18
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for recognition of hemi-methylated DNA by the SRA domain of human UHRF1.
Nature, 455, 2008
5TFC
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BU of 5tfc by Molmil
Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with GTP
分子名称: Cystic fibrosis transmembrane conductance regulator, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
著者Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F.
登録日2016-09-24
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
3B6Q
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BU of 3b6q by Molmil
Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) Mutant T686A in Complex with Glutamate at 2.0 Resolution
分子名称: GLUTAMIC ACID, Glutamate receptor 2, SULFATE ION
著者Cho, Y, Lolis, E, Howe, J.R.
登録日2007-10-29
公開日2008-02-05
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and single-channel results indicate that the rates of ligand binding domain closing and opening directly impact AMPA receptor gating.
J.Neurosci., 28, 2008

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