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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
7NDT
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BU of 7ndt by Molmil
UL40:01 TCR in complex with HLA-E with a non-natural amino acid
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, alpha chain E, ...
著者Pengelly, R.J, Robinson, R.A.
登録日2021-02-02
公開日2022-01-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.999 Å)
主引用文献Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition.
Eur.J.Immunol., 52, 2022
7NDQ
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BU of 7ndq by Molmil
Gag:02 TCR in complex with HLA-E.
分子名称: Beta-2-microglobulin, Gag6V, HLA class I histocompatibility antigen, ...
著者Pengelly, R.J, Robinson, R.A.
登録日2021-02-02
公開日2022-01-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.551 Å)
主引用文献Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition.
Eur.J.Immunol., 52, 2022
7NDU
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BU of 7ndu by Molmil
Gag:02 TCR in complex with HLA-E featuring a non-natural amino acid
分子名称: Beta-2-microglobulin, Gag6V(276-284 H4C), HLA class I histocompatibility antigen, ...
著者Pengelly, R.J, Robinson, R.A.
登録日2021-02-02
公開日2022-01-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition.
Eur.J.Immunol., 52, 2022
1V0J
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BU of 1v0j by Molmil
Udp-galactopyranose mutase from Mycobacterium tuberculosis
分子名称: BICINE, FLAVIN-ADENINE DINUCLEOTIDE, UDP-GALACTOPYRANOSE MUTASE
著者Beis, K, Naismith, J.H.
登録日2004-03-30
公開日2005-01-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structures of Mycobacteria tuberculosis and Klebsiella pneumoniae UDP-galactopyranose mutase in the oxidised state and Klebsiella pneumoniae UDP-galactopyranose mutase in the (active) reduced state.
J. Mol. Biol., 348, 2005
7ZT5
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BU of 7zt5 by Molmil
Structure of E8 TCR in complex in human MR1 bound to 3FSA
分子名称: 3-methanoyl-2-oxidanyl-benzoic acid, Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, ...
著者Karuppiah, 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 (2.09 Å)
主引用文献Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
J.Exp.Med., 220, 2023
7ZT7
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BU of 7zt7 by Molmil
Structure of E8 TCR in complex in human MR1 bound to 5FSA
分子名称: 1,2-ETHANEDIOL, 2-hydroxy-5-methylbenzoic acid, Beta-2-microglobulin, ...
著者Karuppiah, 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 (1.84 Å)
主引用文献Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
J.Exp.Med., 220, 2023
7ZT4
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BU of 7zt4 by Molmil
Structure of E8 TCR in complex with human MR1 bound to 6FP
分子名称: 2-azanyl-6-methyl-3~{H}-pteridin-4-one, Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, ...
著者Karuppiah, 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 (2.02 Å)
主引用文献Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
J.Exp.Med., 220, 2023
2V81
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BU of 2v81 by Molmil
Native KDPGal structure
分子名称: 2-DEHYDRO-3-DEOXY-6-PHOSPHOGALACTONATE ALDOLASE
著者Naismith, J.H.
登録日2007-08-02
公開日2007-08-14
最終更新日2018-03-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Characterization and crystal structure of Escherichia coli KDPGal aldolase.
Bioorg. Med. Chem., 16, 2008
2V82
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BU of 2v82 by Molmil
KDPGal complexed to KDPGal
分子名称: 2-DEHYDRO-3-DEOXY-6-PHOSPHOGALACTONATE ALDOLASE, 2-KETO-DEOXY-GALACTOSE
著者Naismith, J.H.
登録日2007-08-02
公開日2007-08-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Characterization and crystal structure of Escherichia coli KDPGal aldolase.
Bioorg. Med. Chem., 16, 2008
5NPK
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BU of 5npk by Molmil
1.98A STRUCTURE OF THIOPHENE1 WITH S.AUREUS DNA GYRASE AND DNA
分子名称: CHLORIDE ION, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), DNA gyrase subunit B,DNA gyrase subunit B,DNA gyrase subunit A, ...
著者Bax, B.D, Chan, P.F, Stavenger, R.A.
登録日2017-04-17
公開日2017-07-12
最終更新日2018-10-24
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Thiophene antibacterials that allosterically stabilize DNA-cleavage complexes with DNA gyrase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5NPP
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BU of 5npp by Molmil
2.22A STRUCTURE OF THIOPHENE2 AND GSK945237 WITH S.AUREUS DNA GYRASE AND DNA
分子名称: (1R)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one, DIMETHYL SULFOXIDE, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ...
著者Bax, B.D, Chan, P.F, Stavenger, R.A.
登録日2017-04-18
公開日2017-07-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Thiophene antibacterials that allosterically stabilize DNA-cleavage complexes with DNA gyrase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6GY5
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BU of 6gy5 by Molmil
Crystal structure of the kelch domain of human KLHL20 in complex with DAPK1 peptide
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Death-associated protein kinase 1, ...
著者Chen, Z, Hozjan, V, Strain-Damerell, C, Williams, E, Wang, D, Cooper, C.D.O, Sanvitale, C.E, Fairhead, M, Carpenter, E.P, Pike, A.C.W, Krojer, T, Srikannathasan, V, Sorrell, F, Johansson, C, Mathea, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
登録日2018-06-28
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.086 Å)
主引用文献Structural Basis for Recruitment of DAPK1 to the KLHL20 E3 Ligase.
Structure, 27, 2019
2IXJ
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BU of 2ixj by Molmil
RmlC P aeruginosa native
分子名称: DTDP-4-DEHYDRORHAMNOSE 3,5-EPIMERASE, S,R MESO-TARTARIC ACID
著者Dong, C, Naismith, J.H.
登録日2006-07-08
公開日2006-07-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Rmlc, a C3' and C5' Carbohydrate Epimerase, Appears to Operate Via an Intermediate with an Unusual Twist Boat Conformation.
J.Mol.Biol., 365, 2007
2IXI
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BU of 2ixi by Molmil
RmlC P aeruginosa with dTDP-xylose
分子名称: DTDP-4-DEHYDRORHAMNOSE 3,5-EPIMERASE, S,R MESO-TARTARIC ACID, THYMIDINE-5'-DIPHOSPHATE
著者Dong, C, Naismith, J.H.
登録日2006-07-08
公開日2006-07-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Rmlc, a C3' and C5' Carbohydrate Epimerase, Appears to Operate Via an Intermediate with an Unusual Twist Boat Conformation.
J.Mol.Biol., 365, 2007
2IXL
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BU of 2ixl by Molmil
RmlC S. suis with dTDP-rhamnose
分子名称: 2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE, DTDP-4-DEHYDRORHAMNOSE 3,5-EPIMERASE, NICKEL (II) ION
著者Dong, C, Naismith, J.H.
登録日2006-07-08
公開日2006-10-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Rmlc, a C3' and C5' Carbohydrate Epimerase, Appears to Operate Via an Intermediate with an Unusual Twist Boat Conformation.
J.Mol.Biol., 365, 2007
2IXC
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BU of 2ixc by Molmil
RmlC M. tuberculosis with dTDP-rhamnose
分子名称: 2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE, DTDP-4-DEHYDRORHAMNOSE 3,5-EPIMERASE RMLC
著者Dong, C, Naismith, J.H.
登録日2006-07-07
公開日2006-10-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Rmlc, a C3' and C5' Carbohydrate Epimerase, Appears to Operate Via an Intermediate with an Unusual Twist Boat Conformation.
J.Mol.Biol., 365, 2007
2IXK
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BU of 2ixk by Molmil
RmlC P aeruginosa with dTDP-4-keto rhamnnose (the product of the reaction)
分子名称: DTDP-4-DEHYDRORHAMNOSE 3,5-EPIMERASE, DTDP-4-KETO-L-RHAMNOSE
著者Dong, C, Naismith, J.H.
登録日2006-07-08
公開日2006-08-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Rmlc, a C3' and C5' Carbohydrate Epimerase, Appears to Operate Via an Intermediate with an Unusual Twist Boat Conformation.
J.Mol.Biol., 365, 2007
2IXH
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BU of 2ixh by Molmil
RmlC P aeruginosa with dTDP-rhamnose
分子名称: 2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE, DTDP-4-DEHYDRORHAMNOSE 3,5-EPIMERASE
著者Dong, C, Naismith, J.H.
登録日2006-07-08
公開日2006-10-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献RmlC, a C3' and C5' carbohydrate epimerase, appears to operate via an intermediate with an unusual twist boat conformation.
J. Mol. Biol., 365, 2007
5A3P
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BU of 5a3p by Molmil
Crystal structure of the catalytic domain of human PLU1 (JARID1B).
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, LYSINE-SPECIFIC DEMETHYLASE 5B, ...
著者Nowak, R, Srikannathasan, V, Johansson, C, Gileadi, C, Tallant, 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2015-06-02
公開日2015-06-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.008 Å)
主引用文献Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
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
5FUP
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BU of 5fup by Molmil
Crystal structure of human JARID1B in complex with 2-oxoglutarate.
分子名称: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Nowak, R, Srikannathasan, V, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Talon, R, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
登録日2016-01-28
公開日2016-03-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
5FV3
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Crystal structure of human JARID1B construct c2 in complex with N- Oxalylglycine.
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Nowak, R, Srikannathasan, V, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Talon, R, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
登録日2016-02-02
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016

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