7KGY
| Beta-glucuronidase from Faecalibacterium prausnitzii bound to the inhibitor UNC10201652-glucuronide | 分子名称: | 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3 -c]isoquinoline, Beta-glucuronidase, GLYCEROL | 著者 | Simpson, J.B, Redinbo, M.R. | 登録日 | 2020-10-19 | 公開日 | 2021-11-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Microbial enzymes induce colitis by reactivating triclosan in the mouse gastrointestinal tract. Nat Commun, 13, 2022
|
|
2FR8
| Structure of transhydrogenase (dI.R127A.NAD+)2(dIII.NADP+)1 asymmetric complex | 分子名称: | NAD(P) transhydrogenase subunit alpha part 1, NAD(P) transhydrogenase subunit beta, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Brondijk, T.H, van Boxel, G.I, Mather, O.C, Quirk, P.G, White, S.A, Jackson, J.B. | 登録日 | 2006-01-19 | 公開日 | 2006-02-28 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | The Role of Invariant Amino Acid Residues at the Hydride Transfer Site of Proton-translocating Transhydrogenase. J.Biol.Chem., 281, 2006
|
|
2FRD
| Structure of Transhydrogenase (dI.S138A.NADH)2(dIII.NADPH)1 asymmetric complex | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, NAD(P) transhydrogenase subunit alpha part 1, NAD(P) transhydrogenase subunit beta, ... | 著者 | Brondijk, T.H, van Boxel, G.I, Mather, O.C, Quirk, P.G, White, S.A, Jackson, J.B. | 登録日 | 2006-01-19 | 公開日 | 2006-02-28 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | The Role of Invariant Amino Acid Residues at the Hydride Transfer Site of Proton-translocating Transhydrogenase. J.Biol.Chem., 281, 2006
|
|
2FSV
| Structure of transhydrogenase (dI.D135N.NAD+)2(dIII.E155W.NADP+)1 asymmetric complex | 分子名称: | GLYCEROL, NAD(P) transhydrogenase subunit alpha part 1, NAD(P) transhydrogenase subunit beta, ... | 著者 | Brondijk, T.H, van Boxel, G.I, Mather, O.C, Quirk, P.G, White, S.A, Jackson, J.B. | 登録日 | 2006-01-23 | 公開日 | 2006-02-28 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The Role of Invariant Amino Acid Residues at the Hydride Transfer Site of Proton-translocating Transhydrogenase. J.Biol.Chem., 281, 2006
|
|
1M7E
| Crystal structure of the phosphotyrosine binding domain(PTB) of mouse Disabled 2(Dab2):implications for Reeling signaling | 分子名称: | Disabled homolog 2, NGYENPTYK peptide | 著者 | Yun, M, Keshvara, L, Park, C.-G, Zhang, Y.-M, Dickerson, J.B, Zheng, J, Rock, C.O, Curran, T, Park, H.-W. | 登録日 | 2002-07-19 | 公開日 | 2003-08-05 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Crystal structures of the Dab homology domains of mouse disabled 1 and 2 J.Biol.Chem., 278, 2003
|
|
7CHT
| Crystal structure of TTK kinase domain in complex with compound 30 | 分子名称: | 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(oxan-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK, MAGNESIUM ION | 著者 | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Ko, E.H, Choi, H.G, Son, J.B, Kim, N.D. | 登録日 | 2020-07-06 | 公開日 | 2021-05-12 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor. J.Med.Chem., 64, 2021
|
|
7CHM
| Crystal structure of TTK kinase domain in complex with compound 8 | 分子名称: | 4-(cyclohexylamino)-2-[(2-methoxy-4-morpholin-4-ylcarbonyl-phenyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK | 著者 | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. | 登録日 | 2020-07-06 | 公開日 | 2021-05-12 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor. J.Med.Chem., 64, 2021
|
|
7CHN
| Crystal structure of TTK kinase domain in complex with compound 9 | 分子名称: | 4-(cyclohexylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK | 著者 | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. | 登録日 | 2020-07-06 | 公開日 | 2021-05-12 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor. J.Med.Chem., 64, 2021
|
|
7CLH
| Crystal structure of TTK kinase domain in complex with compound 19 | 分子名称: | 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK | 著者 | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. | 登録日 | 2020-07-21 | 公開日 | 2021-05-12 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor. J.Med.Chem., 64, 2021
|
|
7CJA
| Crystal structure of TTK kinase domain in complex with compound 28 | 分子名称: | 4-(cyclopentylmethylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK | 著者 | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. | 登録日 | 2020-07-09 | 公開日 | 2021-05-12 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor. J.Med.Chem., 64, 2021
|
|
7CIL
| Crystal structure of TTK kinase domain in complex with compound 7 | 分子名称: | 4-(cyclohexylamino)-2-[(1-methylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK | 著者 | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. | 登録日 | 2020-07-07 | 公開日 | 2021-05-12 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor. J.Med.Chem., 64, 2021
|
|
4PL4
| Crystal structure of murine IRE1 in complex with OICR464 inhibitor | 分子名称: | 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, 2-methoxy-6-methyl-4-(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)phenol, ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Sanches, M, Duffy, N, Talukdar, M, Thevakumaran, N, Chiovitti, D, Al-awar, R, Patterson, J.B, Sicheri, F. | 登録日 | 2014-05-16 | 公開日 | 2014-09-03 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structure and mechanism of action of the hydroxy-aryl-aldehyde class of IRE1 endoribonuclease inhibitors. Nat Commun, 5, 2014
|
|
4PL5
| Crystal structure of murine IRE1 in complex with OICR573 inhibitor | 分子名称: | 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, 3-methoxy-5-methyl-4'-(morpholin-4-yl)biphenyl-4-ol, ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Sanches, M, Duffy, N, Talukdar, M, Thevakumaran, N, Chiovitti, D, Al-awar, R, Patterson, J.B, Sicheri, F. | 登録日 | 2014-05-16 | 公開日 | 2014-09-03 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Structure and mechanism of action of the hydroxy-aryl-aldehyde class of IRE1 endoribonuclease inhibitors. Nat Commun, 5, 2014
|
|
4PL3
| Crystal structure of murine IRE1 in complex with MKC9989 inhibitor | 分子名称: | 7-hydroxy-6-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4,8-dimethyl-2H-chromen-2-one, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Sanches, M, Duffy, N, Talukdar, M, Thevakumaran, N, Chiovitti, D, Al-awar, R, Patterson, J.B, Sicheri, F. | 登録日 | 2014-05-16 | 公開日 | 2014-09-03 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structure and mechanism of action of the hydroxy-aryl-aldehyde class of IRE1 endoribonuclease inhibitors. Nat Commun, 5, 2014
|
|
178D
| CRYSTAL STRUCTURE OF A DNA DUPLEX CONTAINING 8-HYDROXYDEOXYGUANINE.ADENINE BASE-PAIRS | 分子名称: | DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*(8OG)P*GP*CP*G)-3') | 著者 | McAuley-Hecht, K.E, Leonard, G.A, Gibson, N.J, Thomson, J.B, Watson, W.P, Hunter, W.N, Brown, T. | 登録日 | 1994-05-19 | 公開日 | 1994-10-04 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structure of a DNA duplex containing 8-hydroxydeoxyguanine-adenine base pairs. Biochemistry, 33, 1994
|
|
1NM5
| R. rubrum transhydrogenase (dI.Q132N)2(dIII)1 asymmetric complex | 分子名称: | GLYCEROL, NAD(P) transhydrogenase subunit alpha part 1, NAD(P) transhydrogenase subunit beta, ... | 著者 | Van Boxel, G.I, Quirk, P.G, Cotton, N.P, White, S.A, Jackson, J.B. | 登録日 | 2003-01-09 | 公開日 | 2004-01-13 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Glutamine 132 in the NAD(H)-binding component of proton-translocating transhydrogenase tethers the nucleotides before hydride transfer. Biochemistry, 42, 2003
|
|
1U2D
| Structre of transhydrogenaes (dI.NADH)2(dIII.NADPH)1 asymmetric complex | 分子名称: | GLYCEROL, NAD(P) transhydrogenase subunit alpha part 1, NAD(P) transhydrogenase subunit beta, ... | 著者 | Mather, O.C, Singh, A, van Boxel, G.I, White, S.A, Jackson, J.B. | 登録日 | 2004-07-19 | 公開日 | 2005-01-25 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Active-site conformational changes associated with hydride transfer in proton-translocating transhydrogenase. Biochemistry, 43, 2004
|
|
1SNK
| Cathepsin K complexed with carbamate derivatized norleucine aldehyde | 分子名称: | Cathepsin K, N2-({[(4-BROMOPHENYL)METHYL]OXY}CARBONYL)-N1-[(1S)-1-FORMYLPENTYL]-L-LEUCINAMIDE, SULFATE ION | 著者 | Boros, E.E, Deaton, D.N, Hassell, A.M, McFadyen, R.B, Miller, A.B, Miller, L.R, Shewchuk, L.M, Thompson, J.B, Willard Jr, D.H, Wright, L.L. | 登録日 | 2004-03-11 | 公開日 | 2004-06-22 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Exploration of the P(2)-P(3) SAR of aldehyde cathepsin K inhibitors Bioorg.Med.Chem.Lett., 14, 2004
|
|
1U31
| recombinant human heart transhydrogenase dIII bound with NADPH | 分子名称: | GLYCEROL, NAD(P) transhydrogenase, mitochondrial, ... | 著者 | Mather, O.C, Singh, A, van Boxel, G.I, White, S.A, Jackson, J.B. | 登録日 | 2004-07-20 | 公開日 | 2005-01-25 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Active-site conformational changes associated with hydride transfer in proton-translocating transhydrogenase. Biochemistry, 43, 2004
|
|
1U2G
| transhydrogenase (dI.ADPr)2(dIII.NADPH)1 asymmetric complex | 分子名称: | ADENOSINE-5-DIPHOSPHORIBOSE, GLYCEROL, NAD(P) transhydrogenase subunit alpha part 1, ... | 著者 | Mather, O.C, Singh, A, van Boxel, G.I, White, S.A, Jackson, J.B. | 登録日 | 2004-07-19 | 公開日 | 2005-01-25 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Active-site conformational changes associated with hydride transfer in proton-translocating transhydrogenase. Biochemistry, 43, 2004
|
|
1U28
| R. rubrum transhydrogenase asymmetric complex (dI.NAD+)2(dIII.NADP+)1 | 分子名称: | GLYCEROL, NAD(P) transhydrogenase subunit alpha part 1, NAD(P) transhydrogenase subunit beta, ... | 著者 | Mather, O.C, Singh, A, van Boxel, G.I, White, S.A, Jackson, J.B. | 登録日 | 2004-07-16 | 公開日 | 2005-01-18 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Active-site conformational changes associated with hydride transfer in proton-translocating transhydrogenase. Biochemistry, 43, 2004
|
|
1OQN
| Crystal structure of the phosphotyrosine binding domain (PTB) of mouse Disabled 1 (Dab1) | 分子名称: | Alzheimer's disease amyloid A4 protein homolog, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Disabled homolog 1 | 著者 | Yun, M, Keshvara, L, Park, C.-G, Zhang, Y.-M, Dickerson, J.B, Zheng, J, Rock, C.O, Curran, T, Park, H.-W. | 登録日 | 2003-03-10 | 公開日 | 2003-08-05 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structures of the Dab homology domains of mouse disabled 1 and 2 J.Biol.Chem., 278, 2003
|
|
1PT9
| Crystal Structure Analysis of the DIII Component of Transhydrogenase with a Thio-Nicotinamide Nucleotide Analogue | 分子名称: | 7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, GLYCEROL, NAD(P) transhydrogenase, ... | 著者 | Singh, A, Venning, J.D, Quirk, P.G, van Boxel, G.I, Rodrigues, D.J, White, S.A, Jackson, J.B. | 登録日 | 2003-06-23 | 公開日 | 2003-10-07 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | 主引用文献 | Interactions between transhydrogenase and thio-nicotinamide analogues of NAD(H) and NADP(H) underline the importance of nucleotide conformational changes in coupling to proton translocation J.Biol.Chem., 278, 2003
|
|
1PTJ
| Crystal structure analysis of the DI and DIII complex of transhydrogenase with a thio-nicotinamide nucleotide analogue | 分子名称: | GLYCEROL, NAD(P) transhydrogenase subunit alpha part 1, NAD(P) transhydrogenase subunit beta, ... | 著者 | Singh, A, Venning, J.D, Quirk, P.G, van Boxel, G.I, Rodrigues, D.J, White, S.A, Jackson, J.B. | 登録日 | 2003-06-23 | 公開日 | 2003-10-07 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | 主引用文献 | Interactions between transhydrogenase and thio-nicotinamide analogues of NAD(H) and NADP(H) underline the importance of nucleotide conformational changes in coupling to proton translocation J.Biol.Chem., 278, 2003
|
|
1P3R
| Crystal structure of the phosphotyrosin binding domain(PTB) of mouse Disabled 1(Dab1) | 分子名称: | Disabled homolog 2 | 著者 | Yun, M, Keshvara, L, Park, C.G, Zhang, Y.M, Dickerson, J.B, Zheng, J, Rock, C.O, Curran, T, Park, H.W. | 登録日 | 2003-04-18 | 公開日 | 2003-08-05 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal structures of the Dab homology domains of mouse disabled 1 and 2. J.Biol.Chem., 278, 2003
|
|