6C67
 
 | | Mycobacterium tuberculosis adenosine kinase bound to iodotubercidin | | 分子名称: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, Adenosine kinase, GLYCEROL, ... | | 著者 | Crespo, R.A, TB Structural Genomics Consortium (TBSGC) | | 登録日 | 2018-01-17 | | 公開日 | 2019-05-01 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.
J.Med.Chem., 62, 2019
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7JTQ
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5FSM
 | | MTH1 substrate recognition: Complex with a methylbenzimidazolyl acetamide. | | 分子名称: | 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, ACETATE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J. | | 登録日 | 2016-01-06 | | 公開日 | 2016-07-20 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Mth1 Substrate Recognition--an Example of Specific Promiscuity.
Plos One, 11, 2016
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5FSO
 | | MTH1 substrate recognition: Complex with a methylaminopyrimidinedione. | | 分子名称: | 6-(METHYLAMINO)-1H-PYRIMIDINE-2,4-DIONE, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, ACETATE ION, ... | | 著者 | Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J. | | 登録日 | 2016-01-06 | | 公開日 | 2017-01-18 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | MTH1 Substrate Recognition--An Example of Specific Promiscuity.
PLoS ONE, 11, 2016
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5FSI
 | | MTH1 substrate recognition: Complex with 8-oxo-dGTP. | | 分子名称: | 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE | | 著者 | Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J. | | 登録日 | 2016-01-06 | | 公開日 | 2016-07-11 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Mth1 Substrate Recognition--an Example of Specific Promiscuity.
Plos One, 11, 2016
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4KFB
 | | HIV-1 reverse transcriptase with bound fragment at NNRTI adjacent site | | 分子名称: | 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, P51 RT, ... | | 著者 | Bauman, J.D, Patel, D, Arnold, E. | | 登録日 | 2013-04-26 | | 公開日 | 2013-05-15 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.854 Å) | | 主引用文献 | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-Ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
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5FSK
 | | MTH1 substrate recognition: Complex with 8-oxo-dGTP. | | 分子名称: | 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, 8-OXO-ADENOSINE-5'-TRIPHOSPHATE, ACETATE ION | | 著者 | Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J. | | 登録日 | 2016-01-06 | | 公開日 | 2016-07-20 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Mth1 Substrate Recognition--an Example of Specific Promiscuity.
Plos One, 11, 2016
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5FSN
 | | MTH1 substrate recognition: Complex with a aminomethylpyrimidinyl oxypropanol. | | 分子名称: | 3-(2-AMINO-6-METHYL-PYRIMIDIN-4-YL)OXYPROPAN-1-OL, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, ACETATE ION, ... | | 著者 | Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J. | | 登録日 | 2016-01-06 | | 公開日 | 2016-07-20 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Mth1 Substrate Recognition--an Example of Specific Promiscuity.
Plos One, 11, 2016
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2GU0
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5FH2
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5FA4
 | | Structure of HLA-A2:01 with peptide Y16R | | 分子名称: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | 著者 | Remesh, S.G, Zajonc, D.M. | | 登録日 | 2015-12-10 | | 公開日 | 2016-12-21 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Unconventional Peptide Presentation by Major Histocompatibility Complex (MHC) Class I Allele HLA-A*02:01: BREAKING CONFINEMENT.
J. Biol. Chem., 292, 2017
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5FH3
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2XYI
 | | Crystal Structure of Nurf55 in complex with a H4 peptide | | 分子名称: | DI(HYDROXYETHYL)ETHER, HISTONE H4, PROBABLE HISTONE-BINDING PROTEIN CAF1, ... | | 著者 | Stirnimann, C.U, Nowak, A.J, Mueller, C.W. | | 登録日 | 2010-11-17 | | 公開日 | 2011-05-04 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Chromatin-Modifying Complex Component Nurf55/P55 Associates with Histones H3, H4 and Polycomb Repressive Complex 2 Subunit Su(Z)12 Through Partially Overlapping Binding Sites.
J.Biol.Chem., 286, 2011
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5FD3
 | | Structure of Lin54 tesmin domain bound to DNA | | 分子名称: | DNA (5'-D(*CP*AP*GP*TP*TP*TP*CP*AP*AP*AP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*TP*TP*TP*GP*AP*AP*AP*CP*T)-3'), Protein lin-54 homolog, ... | | 著者 | Marceau, A.H, Felthousen, J.G, Goetsch, P.D, Lee, H, Tripathi, S.M, Strome, S, Litovchick, L, Rubin, S.M. | | 登録日 | 2015-12-15 | | 公開日 | 2016-08-03 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | Structural basis for LIN54 recognition of CHR elements in cell cycle-regulated promoters.
Nat Commun, 7, 2016
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5FH1
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5FKP
 | | Crystal structure of the mouse CD1d in complex with the p99 peptide | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIGEN-PRESENTING GLYCOPROTEIN CD1D1, BETA 2 MICROGLOBULIN, ... | | 著者 | Girardi, E, Wang, J, Zajonc, D.M. | | 登録日 | 2015-10-18 | | 公開日 | 2016-03-30 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure of an Alpha-Helical Peptide and Lipopeptide Bound to the Non-Classical Mhc Class I Molecule Cd1D
J.Biol.Chem., 291, 2016
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5G3M
 | | Discovery of a novel secreted phospholipase A2 (sPLA2) inhibitor. | | 分子名称: | 4-BENZYLBENZAMIDE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Sandmark, J, Bodin, C, Hallberg, K. | | 登録日 | 2016-04-29 | | 公開日 | 2016-09-14 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Discovery of Azd2716: A Novel Secreted Phospholipase A2 (Spla2) Inhibitor for the Treatment of Coronary Artery Disease
Acs Med.Chem.Lett., 7, 2016
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8X5B
 | | Cryo-EM structures of human XPR1 in closed states | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CHOLESTEROL, PHOSPHATE ION, ... | | 著者 | Jiang, D.H, Yan, R. | | 登録日 | 2023-11-16 | | 公開日 | 2024-07-03 | | 最終更新日 | 2025-07-02 | | 実験手法 | ELECTRON MICROSCOPY (2.84 Å) | | 主引用文献 | Human XPR1 structures reveal phosphate export mechanism.
Nature, 633, 2024
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8X5E
 | | Cryo-EM structure of human XPR1 in open state | | 分子名称: | PHOSPHATE ION, Solute carrier family 53 member 1, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate | | 著者 | Jiang, D.H, Yan, R. | | 登録日 | 2023-11-17 | | 公開日 | 2024-07-03 | | 最終更新日 | 2025-07-02 | | 実験手法 | ELECTRON MICROSCOPY (3.61 Å) | | 主引用文献 | Human XPR1 structures reveal phosphate export mechanism.
Nature, 633, 2024
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7K3I
 | | Cellular retinol-binding protein 2 (CRBP2) in complex with 2-lauroylglycerol | | 分子名称: | 1,3-dihydroxypropan-2-yl dodecanoate, Retinol-binding protein 2 | | 著者 | Adams, C, Silvaroli, J.A, Banarjee, S, Golczak, M. | | 登録日 | 2020-09-11 | | 公開日 | 2021-03-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Molecular basis for the interaction of cellular retinol binding protein 2 (CRBP2) with nonretinoid ligands.
J.Lipid Res., 62, 2021
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7JX2
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5GH9
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5GK9
 | | Crystal structure of human HBO1 in complex with BRPF2 | | 分子名称: | ACETYL COENZYME *A, BRD1 protein, Histone acetyltransferase KAT7, ... | | 著者 | Tao, Y, Zhu, J, Xu, S, Ding, J. | | 登録日 | 2016-07-04 | | 公開日 | 2017-03-29 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural and mechanistic insights into regulation of HBO1 histone acetyltransferase activity by BRPF2.
Nucleic Acids Res., 45, 2017
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5GRD
 | | Crystal structure of 10-mer peptide from EBV in complex with HLA-A1101. | | 分子名称: | Beta-2-microglobulin, Epstein Barr Virus, Latent membrane protein 2 epitope, ... | | 著者 | Tadwal, V.S, Xiao, Z, Ren, E.C. | | 登録日 | 2016-08-10 | | 公開日 | 2017-08-09 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Dual non-contiguous peptide occupancy of HLA class I evoke antiviral human CD8 T cell response and form neo-epitopes with self-antigens
Sci Rep, 7, 2017
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4Q1E
 | | Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 10 {2-{[(1R/S)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol 4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine} | | 分子名称: | (R)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine, (S)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine, Deoxycytidine kinase, ... | | 著者 | Nomme, J, Lavie, A. | | 登録日 | 2014-04-03 | | 公開日 | 2014-11-05 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
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