5A3N
| Crystal structure of human PLU-1 (JARID1B) in complex with KDOAM25a | Descriptor: | 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, ... | Authors: | 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. | Deposit date: | 2015-06-02 | Release date: | 2015-07-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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
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1V0J
| Udp-galactopyranose mutase from Mycobacterium tuberculosis | Descriptor: | BICINE, FLAVIN-ADENINE DINUCLEOTIDE, UDP-GALACTOPYRANOSE MUTASE | Authors: | Beis, K, Naismith, J.H. | Deposit date: | 2004-03-30 | Release date: | 2005-01-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | 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
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7NDU
| Gag:02 TCR in complex with HLA-E featuring a non-natural amino acid | Descriptor: | Beta-2-microglobulin, Gag6V(276-284 H4C), HLA class I histocompatibility antigen, ... | Authors: | Pengelly, R.J, Robinson, R.A. | Deposit date: | 2021-02-02 | Release date: | 2022-01-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition. Eur.J.Immunol., 52, 2022
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7NDT
| UL40:01 TCR in complex with HLA-E with a non-natural amino acid | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, alpha chain E, ... | Authors: | Pengelly, R.J, Robinson, R.A. | Deposit date: | 2021-02-02 | Release date: | 2022-01-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.999 Å) | Cite: | Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition. Eur.J.Immunol., 52, 2022
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7NDQ
| Gag:02 TCR in complex with HLA-E. | Descriptor: | Beta-2-microglobulin, Gag6V, HLA class I histocompatibility antigen, ... | Authors: | Pengelly, R.J, Robinson, R.A. | Deposit date: | 2021-02-02 | Release date: | 2022-01-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.551 Å) | Cite: | Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition. Eur.J.Immunol., 52, 2022
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7ZT4
| Structure of E8 TCR in complex with human MR1 bound to 6FP | Descriptor: | 2-azanyl-6-methyl-3~{H}-pteridin-4-one, Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, ... | Authors: | Karuppiah, V, Robinson, R.A. | Deposit date: | 2022-05-09 | Release date: | 2023-06-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses. J.Exp.Med., 220, 2023
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7ZT5
| Structure of E8 TCR in complex in human MR1 bound to 3FSA | Descriptor: | 3-methanoyl-2-oxidanyl-benzoic acid, Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, ... | Authors: | Karuppiah, V, Robinson, R.A. | Deposit date: | 2022-05-09 | Release date: | 2023-06-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses. J.Exp.Med., 220, 2023
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7ZT7
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6GY5
| Crystal structure of the kelch domain of human KLHL20 in complex with DAPK1 peptide | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Death-associated protein kinase 1, ... | Authors: | 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. | Deposit date: | 2018-06-28 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.086 Å) | Cite: | Structural Basis for Recruitment of DAPK1 to the KLHL20 E3 Ligase. Structure, 27, 2019
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2V81
| Native KDPGal structure | Descriptor: | 2-DEHYDRO-3-DEOXY-6-PHOSPHOGALACTONATE ALDOLASE | Authors: | Naismith, J.H. | Deposit date: | 2007-08-02 | Release date: | 2007-08-14 | Last modified: | 2018-03-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Characterization and crystal structure of Escherichia coli KDPGal aldolase. Bioorg. Med. Chem., 16, 2008
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2V82
| KDPGal complexed to KDPGal | Descriptor: | 2-DEHYDRO-3-DEOXY-6-PHOSPHOGALACTONATE ALDOLASE, 2-KETO-DEOXY-GALACTOSE | Authors: | Naismith, J.H. | Deposit date: | 2007-08-02 | Release date: | 2007-08-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Characterization and crystal structure of Escherichia coli KDPGal aldolase. Bioorg. Med. Chem., 16, 2008
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2IXL
| RmlC S. suis with dTDP-rhamnose | Descriptor: | 2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE, DTDP-4-DEHYDRORHAMNOSE 3,5-EPIMERASE, NICKEL (II) ION | Authors: | Dong, C, Naismith, J.H. | Deposit date: | 2006-07-08 | Release date: | 2006-10-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Rmlc, a C3' and C5' Carbohydrate Epimerase, Appears to Operate Via an Intermediate with an Unusual Twist Boat Conformation. J.Mol.Biol., 365, 2007
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2IXC
| RmlC M. tuberculosis with dTDP-rhamnose | Descriptor: | 2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE, DTDP-4-DEHYDRORHAMNOSE 3,5-EPIMERASE RMLC | Authors: | Dong, C, Naismith, J.H. | Deposit date: | 2006-07-07 | Release date: | 2006-10-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Rmlc, a C3' and C5' Carbohydrate Epimerase, Appears to Operate Via an Intermediate with an Unusual Twist Boat Conformation. J.Mol.Biol., 365, 2007
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2IXK
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2IXI
| RmlC P aeruginosa with dTDP-xylose | Descriptor: | DTDP-4-DEHYDRORHAMNOSE 3,5-EPIMERASE, S,R MESO-TARTARIC ACID, THYMIDINE-5'-DIPHOSPHATE | Authors: | Dong, C, Naismith, J.H. | Deposit date: | 2006-07-08 | Release date: | 2006-07-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Rmlc, a C3' and C5' Carbohydrate Epimerase, Appears to Operate Via an Intermediate with an Unusual Twist Boat Conformation. J.Mol.Biol., 365, 2007
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2IXJ
| RmlC P aeruginosa native | Descriptor: | DTDP-4-DEHYDRORHAMNOSE 3,5-EPIMERASE, S,R MESO-TARTARIC ACID | Authors: | Dong, C, Naismith, J.H. | Deposit date: | 2006-07-08 | Release date: | 2006-07-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Rmlc, a C3' and C5' Carbohydrate Epimerase, Appears to Operate Via an Intermediate with an Unusual Twist Boat Conformation. J.Mol.Biol., 365, 2007
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2IXH
| RmlC P aeruginosa with dTDP-rhamnose | Descriptor: | 2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE, DTDP-4-DEHYDRORHAMNOSE 3,5-EPIMERASE | Authors: | Dong, C, Naismith, J.H. | Deposit date: | 2006-07-08 | Release date: | 2006-10-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | RmlC, a C3' and C5' carbohydrate epimerase, appears to operate via an intermediate with an unusual twist boat conformation. J. Mol. Biol., 365, 2007
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5NPK
| 1.98A STRUCTURE OF THIOPHENE1 WITH S.AUREUS DNA GYRASE AND DNA | Descriptor: | 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, ... | Authors: | Bax, B.D, Chan, P.F, Stavenger, R.A. | Deposit date: | 2017-04-17 | Release date: | 2017-07-12 | Last modified: | 2018-10-24 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Thiophene antibacterials that allosterically stabilize DNA-cleavage complexes with DNA gyrase. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5MG2
| Crystal structure of the second bromodomain of human TAF1 in complex with BAY-299 chemical probe | Descriptor: | 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 | Authors: | 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) | Deposit date: | 2016-11-20 | Release date: | 2017-05-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Benzoisoquinolinediones as Potent and Selective Inhibitors of BRPF2 and TAF1/TAF1L Bromodomains. J. Med. Chem., 60, 2017
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5FUP
| Crystal structure of human JARID1B in complex with 2-oxoglutarate. | Descriptor: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | 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. | Deposit date: | 2016-01-28 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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5FV3
| Crystal structure of human JARID1B construct c2 in complex with N- Oxalylglycine. | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | 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. | Deposit date: | 2016-02-02 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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5A3P
| Crystal structure of the catalytic domain of human PLU1 (JARID1B). | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, LYSINE-SPECIFIC DEMETHYLASE 5B, ... | Authors: | 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. | Deposit date: | 2015-06-02 | Release date: | 2015-06-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.008 Å) | Cite: | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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5NPP
| 2.22A STRUCTURE OF THIOPHENE2 AND GSK945237 WITH S.AUREUS DNA GYRASE AND DNA | Descriptor: | (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'), ... | Authors: | Bax, B.D, Chan, P.F, Stavenger, R.A. | Deposit date: | 2017-04-18 | Release date: | 2017-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Thiophene antibacterials that allosterically stabilize DNA-cleavage complexes with DNA gyrase. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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