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PDB: 122 件

5A3T
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Crystal structure of human PLU-1 (JARID1B) in complex with KDM5-C49 (2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-oxoethyl)amino)methyl) isonicotinic acid).
分子名称: 1,2-ETHANEDIOL, 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Srikannathasan, V, Johansson, C, Gileadi, C, Kopec, J, Strain-Damerell, C, Kupinska, K, BurgessBrown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
登録日2015-06-02
公開日2015-06-17
最終更新日2016-06-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
5A3W
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Crystal structure of human PLU-1 (JARID1B) in complex with Pyridine-2, 6-dicarboxylic Acid (PDCA)
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, LYSINE-SPECIFIC DEMETHYLASE 5B, ...
著者Srikannathasan, V, Johansson, C, Gileadi, C, Kopec, J, Strain-Damerell, C, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
登録日2015-06-03
公開日2015-06-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
5LTU
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Crystal Structure of NUDT4A- Diphosphoinositol polyphosphate phosphohydrolase 2
分子名称: 1,2-ETHANEDIOL, Diphosphoinositol polyphosphate phosphohydrolase 2
著者Srikannathasan, V, Nunez, C.A, Tallant, C, Siejka, P, Mathea, S, Newman, J, Strain-Damerell, C, Elkins, J.M, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Huber, K.
登録日2016-09-07
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Crystal Structure of Human NUDT4A- Diphosphoinositol polyphosphate phosphohydrolase 2
To Be Published
6RSY
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The complex between TCR a7b2 and human Class I MHC HLA-A0201-WT1 with the bound RMFPNAPYL peptide.
分子名称: 1,2-ETHANEDIOL, ARG-MET-PHE-PRO-ASN-ALA-PRO-TYR-LEU, Beta-2-microglobulin, ...
著者Srikannathasan, V, Robinson, R.A.
登録日2019-05-22
公開日2020-04-15
最終更新日2020-05-13
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Specificity of bispecific T cell receptors and antibodies targeting peptide-HLA.
J.Clin.Invest., 130, 2020
5A1L
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BU of 5a1l by Molmil
Crystal structure of JmjC domain of human histone demethylase UTY with S21056a
分子名称: 1,2-ETHANEDIOL, 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propan-1-ol, FE (II) ION, ...
著者Srikannathasan, V, Gileadi, C, Johansson, C, Krojer, T, Tumber, A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Brennan, P, Oppermann, U.
登録日2015-05-01
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Jmjc Domain of Human Histone Demethylase Uty with S21056A
To be Published
2GGQ
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BU of 2ggq by Molmil
complex of hypothetical glucose-1-phosphate thymidylyltransferase from sulfolobus tokodaii
分子名称: 401aa long hypothetical glucose-1-phosphate thymidylyltransferase, IODIDE ION, THYMIDINE-5'-TRIPHOSPHATE
著者Rajakannan, V, Mizushima, T, Suzuki, A, Masui, R, Kuramitsu, S, Yamane, T.
登録日2006-03-24
公開日2007-03-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献complex of hypothetical glucose-1-phosphate thymidylyltransferase from sulfolobus tokodaii
To be published
2GGO
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Crystal Structure of glucose-1-phosphate thymidylyltransferase from Sulfolobus tokodaii
分子名称: 401aa long hypothetical glucose-1-phosphate thymidylyltransferase
著者Rajakannan, V, Mizushima, T, Suzuki, A, Masui, R, Kuramitsu, S, Yamane, T.
登録日2006-03-24
公開日2007-03-24
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of glucose-1-phosphate thymidylyltransferase from Sulfolobus tokodaii
To be published
2GGS
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BU of 2ggs by Molmil
crystal structure of hypothetical dTDP-4-dehydrorhamnose reductase from sulfolobus tokodaii
分子名称: 273aa long hypothetical dTDP-4-dehydrorhamnose reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Rajakannan, V, Mizushima, T, Suzuki, A, Masui, R, Kuramitsu, S, Yamane, T.
登録日2006-03-24
公開日2007-03-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献crystal structure of hypothetical dTDP-4-dehydrorhamnose reductase from sulfolobus tokodaii
To be published
5A1H
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BU of 5a1h by Molmil
Crystal structure of human Spindlin3
分子名称: SPINDLIN-3
著者Srikannathasan, V, Gileadi, C, Johansson, C, Shrestha, L, Tallon, R, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.
登録日2015-04-30
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Human Spindlin3
To be Published
6EIN
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BU of 6ein by Molmil
Crystal structure of KDM5B in complex with S49365a.
分子名称: 1,2-ETHANEDIOL, 8-[4-[2-(4-propanoylpiperazin-1-yl)ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, Lysine-specific demethylase 5B,Lysine-specific demethylase 5B, ...
著者Srikannathasan, V, Newman, J.A, Szykowska, A, Wright, M, Ruda, G.F, Vazquez-Rodriguez, S.A, Kupinska, K, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F.
登録日2017-09-19
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Crystal structure of KDM5B in complex with S49365a.
To Be Published
6EIY
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Crystal structure of KDM5B in complex with KDOPZ000034a.
分子名称: 1,2-ETHANEDIOL, 2-chloranyl-~{N}-[2-[4-(3-cyano-7-oxidanylidene-6-propan-2-yl-4~{H}-pyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-1-yl]ethyl]ethanamide, DIMETHYL SULFOXIDE, ...
著者Srikannathasan, V, Newman, J.A, Szykowska, A, Wright, M, Ruda, G.F, Vazquez-Rodriguez, S.A, Kupinska, K, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F.
登録日2017-09-19
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of KDM5B in complex with KDOPZ000034a.
to be published
6EJ0
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BU of 6ej0 by Molmil
Crystal structure of KDM5B in complex with KDOPZ000049a.
分子名称: 1,2-ETHANEDIOL, 7-oxidanylidene-6-propan-2-yl-5-[1-(1-prop-2-enoylpiperidin-4-yl)pyrazol-4-yl]-6~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile, DIMETHYL SULFOXIDE, ...
著者Srikannathasan, V, Newman, J.A, Szykowska, A, Wright, M, Ruda, G.F, Vazquez-Rodriguez, S.A, Kupinska, K, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F.
登録日2017-09-19
公開日2018-05-02
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Crystal structure of KDM5B in complex with KDOPZ000049a.
to be published
6EIU
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BU of 6eiu by Molmil
Crystal structure of KDM5B in complex with KDOPZ29a
分子名称: 1,2-ETHANEDIOL, 8-oxidanyl-6-phenyl-7-propan-2-yl-imidazo[1,2-b]pyridazine-3-carbonitrile, DIMETHYL SULFOXIDE, ...
著者Srikannathasan, V, Newman, J.A, Szykowska, A, Wright, M, Ruda, G.F, Vazquez-Rodriguez, S.A, Kupinska, K, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F.
登録日2017-09-19
公開日2018-05-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal structure of KDM5B in complex with KDOPZ29a.
to be published
6EJ1
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BU of 6ej1 by Molmil
Crystal structure of KDM5B in complex with KDOPZ48a.
分子名称: 1,2-ETHANEDIOL, 5-[1-[1-(2-chloranylethanoyl)piperidin-4-yl]pyrazol-4-yl]-7-oxidanylidene-6-propan-2-yl-4~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile, DIMETHYL SULFOXIDE, ...
著者Srikannathasan, V, Newman, J.A, Szykowska, A, Wright, M, Ruda, G.F, Vazquez-Rodriguez, S.A, Kupinska, K, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F.
登録日2017-09-19
公開日2018-05-02
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Crystal structure of KDM5B in complex with KDOPZ48a.
to be published
6EK6
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BU of 6ek6 by Molmil
Crystal structure of KDM5B in complex with S49195a.
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Lysine-specific demethylase 5B,Lysine-specific demethylase 5B, ...
著者Srikannathasan, V, Szykowska, A, Newman, J.A, Ruda, G.F, Strain-Damerell, C, Burgess-Brown, N.A, Vazquez-Rodriguez, S, Wright, M, Brennan, P.E, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F.
登録日2017-09-25
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of KDM5B in complex with S49195a.
To be published
5T3P
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BU of 5t3p by Molmil
Crystal structure of Human Peroxisomal coenzyme A diphosphatase NUDT7
分子名称: 1,2-ETHANEDIOL, Peroxisomal coenzyme A diphosphatase NUDT7
著者Srikannathasan, V, Nunez, C.A, Tallant, C, Siejka, P, Mathea, S, Kopec, J, Elkins, J.M, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Huber, K.
登録日2016-08-26
公開日2017-09-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Crystal structure of Human Peroxisomal coenzyme A diphosphatase NUDT7
To Be Published
5A3N
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BU of 5a3n by Molmil
Crystal structure of human PLU-1 (JARID1B) in complex with KDOAM25a
分子名称: 1,2-ETHANEDIOL, 2-[[[2-[2-(dimethylamino)ethyl-ethyl-amino]-2-oxidanylidene-ethyl]amino]methyl]pyridine-4-carboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Srikannathasan, V, Johansson, C, Gileadi, C, Nuzzi, A, Ruda, G.F, Kopec, J, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Brennan, P, Oppermann, U.
登録日2015-06-02
公開日2015-07-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Potent and Selective KDM5 Inhibitor Stops Cellular Demethylation of H3K4me3 at Transcription Start Sites and Proliferation of MM1S Myeloma Cells.
Cell Chem Biol, 24, 2017
5MG2
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BU of 5mg2 by Molmil
Crystal structure of the second bromodomain of human TAF1 in complex with BAY-299 chemical probe
分子名称: 1,2-ETHANEDIOL, 6-(3-oxidanylpropyl)-2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione, Transcription initiation factor TFIID subunit 1
著者Tallant, C, Bouche, L, Holton, S.J, Fedorov, O, Siejka, P, Picaud, S, Krojer, T, Srikannathasan, V, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hartung, I.V, Haendler, B, Muller, S, Huber, K.V.M, Structural Genomics Consortium (SGC)
登録日2016-11-20
公開日2017-05-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Benzoisoquinolinediones as Potent and Selective Inhibitors of BRPF2 and TAF1/TAF1L Bromodomains.
J. Med. Chem., 60, 2017
5FYB
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BU of 5fyb by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with MC1648
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, LYSINE-SPECIFIC DEMETHYLASE 5B, ...
著者Nowak, R, Srikannathasan, V, Rotili, D, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
登録日2016-03-05
公開日2017-03-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Mc1648
To be Published
1XDK
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BU of 1xdk by Molmil
Crystal Structure of the RARbeta/RXRalpha Ligand Binding Domain Heterodimer in Complex with 9-cis Retinoic Acid and a Fragment of the TRAP220 Coactivator
分子名称: (9cis)-retinoic acid, Retinoic acid receptor RXR-alpha, Retinoic acid receptor, ...
著者Pogenberg, V, Guichou, J.F, Vivat-Hannah, V, Kammerer, S, Perez, E, Germain, P, De Lera, A.R, Gronemeyer, H, Royer, C.A, Bourguet, W.
登録日2004-09-07
公開日2004-11-09
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献CHARACTERIZATION OF THE INTERACTION BETWEEN RAR/RXR HETERODIMERS AND TRANSCRIPTIONAL COACTIVATORS THROUGH STRUCTURAL AND FLUORESCENCE ANISOTROPY STUDIES
J.Biol.Chem., 280, 2005
7ZT2
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BU of 7zt2 by Molmil
Structure of E8 TCR in complex with human MR1 bound to 5-OP-RU
分子名称: 1,2-ETHANEDIOL, 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, ...
著者Karuppiah, V, Srikannathasan, V, Robinson, R.A.
登録日2022-05-09
公開日2023-06-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
J.Exp.Med., 220, 2023
7ZT8
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BU of 7zt8 by Molmil
Structure of E8 TCR in complex in human MR1 bound to 3FBA
分子名称: 1,2-ETHANEDIOL, 3-methylbenzoic acid, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ...
著者Karuppiah, V, Srikannathasan, V, Robinson, R.A.
登録日2022-05-09
公開日2023-06-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
J.Exp.Med., 220, 2023
7ZT9
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BU of 7zt9 by Molmil
Structure of E8 TCR in complex in human MR1 bound to 4FBA
分子名称: 1,2-ETHANEDIOL, 4-METHYLBENZOIC ACID, Beta-2-microglobulin, ...
著者Karuppiah, V, Srikannathasan, V, Robinson, R.A.
登録日2022-05-09
公開日2023-06-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
J.Exp.Med., 220, 2023
7ZT3
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BU of 7zt3 by Molmil
Structure of E8 TCR in complex in human MR1 K43A
分子名称: Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, TCR alpha, ...
著者Karuppiah, V, Srikannathasan, V, Robinson, R.A.
登録日2022-05-09
公開日2023-06-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
J.Exp.Med., 220, 2023
5CDQ
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2.95A structure of Moxifloxacin with S.aureus DNA gyrase and DNA
分子名称: 1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DNA (5'-D(P*GP*AP*GP*CP*GP*TP*AP*T*GP*GP*CP*CP*AP*TP*AP*CP*GP*CP*TP*T)-3'), DNA gyrase subunit A, ...
著者Bax, B.D, Srikannathasan, V, Chan, P.F.
登録日2015-07-04
公開日2015-12-16
最終更新日2016-12-21
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structural basis of DNA gyrase inhibition by antibacterial QPT-1, anticancer drug etoposide and moxifloxacin.
Nat Commun, 6, 2015

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