7UHX
 
 | | Horse liver alcohol dehydrogenase G173A, complexed with NAD+ and 2,3,4,5,6-pentafluorobenzyl alcohol at 150 K | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ... | | 著者 | Plapp, B.V, Gakhar, L. | | 登録日 | 2022-03-27 | | 公開日 | 2022-04-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
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7UHV
 | | Horse liver alcohol dehydrogenase G173A, complexed with NAD+ and 2,3,4,5,6-pentafluorobenzyl alcohol at 50 K | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ... | | 著者 | Plapp, B.V, Gakhar, L. | | 登録日 | 2022-03-27 | | 公開日 | 2022-04-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
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2HMW
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2HMT
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2HMS
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2HMU
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2HMV
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7OUK
 | | BDM88855 inhibitor bound to the transmembrane domain of AcrB | | 分子名称: | (2S)-3-hydroxypropane-1,2-diyl didecanoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, 1,2-ETHANEDIOL, ... | | 著者 | Tam, H.K, Foong, W.E, Pos, K.M. | | 登録日 | 2021-06-12 | | 公開日 | 2021-12-29 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Pyridylpiperazine-based allosteric inhibitors of RND-type multidrug efflux pumps.
Nat Commun, 13, 2022
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7OUL
 | | BDM88832 inhibitor bound to the transmembrane domain of AcrB-R971A | | 分子名称: | (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, 1,2-ETHANEDIOL, 1-(3-chloranyl-5-iodanyl-pyridin-2-yl)piperazine, ... | | 著者 | Tam, H.K, Foong, W.E, Pos, K.M. | | 登録日 | 2021-06-12 | | 公開日 | 2021-12-29 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Pyridylpiperazine-based allosteric inhibitors of RND-type multidrug efflux pumps.
Nat Commun, 13, 2022
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7OUM
 | | BDM88855 inhibitor bound to the transmembrane domain of AcrB-R971A | | 分子名称: | (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, 1,2-ETHANEDIOL, 3-chloranyl-2-piperazin-1-yl-quinoline, ... | | 著者 | Tam, H.K, Foong, W.E, Pos, K.M. | | 登録日 | 2021-06-12 | | 公開日 | 2021-12-29 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Pyridylpiperazine-based allosteric inhibitors of RND-type multidrug efflux pumps.
Nat Commun, 13, 2022
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6GW5
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7UR7
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7UR8
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6XNS
 | | C3_crown-05 | | 分子名称: | C3_crown-05 | | 著者 | Bick, M.J, Hsia, Y, Sankaran, B, Baker, D. | | 登録日 | 2020-07-04 | | 公開日 | 2020-12-23 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (3.19 Å) | | 主引用文献 | Design of multi-scale protein complexes by hierarchical building block fusion.
Nat Commun, 12, 2021
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6XT4
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6XI6
 | | Hierarchical design of multi-scale protein complexes by combinatorial assembly of oligomeric helical bundle and repeat protein building blocks | | 分子名称: | helical fusion design | | 著者 | Bera, A.K, Hsia, Y, Kang, A.S, Shankaran, B, Baker, D. | | 登録日 | 2020-06-19 | | 公開日 | 2021-06-02 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | Design of multi-scale protein complexes by hierarchical building block fusion.
Nat Commun, 12, 2021
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6XH5
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6XSS
 | | CryoEM structure of designed helical fusion protein C4_nat_HFuse-7900 | | 分子名称: | C4_nat_HFuse-7900 | | 著者 | Redler, R.L, Edman, N.I, Baker, D, Ekiert, D, Bhabha, G. | | 登録日 | 2020-07-16 | | 公開日 | 2020-12-23 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Design of multi-scale protein complexes by hierarchical building block fusion.
Nat Commun, 12, 2021
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5E83
 | | CRYSTAL STRUCTURE OF CARBONMONOXY HEMOGLOBIN S (LIGANDED SICKLE CELL HEMOGLOBIN) COMPLEXED WITH GBT440, CO-CRYSTALLIZATION EXPERIMENT | | 分子名称: | 2-methyl-3-({2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl}methoxy)phenol, CARBON MONOXIDE, GLYCEROL, ... | | 著者 | Patskovska, L, Patskovsky, Y, Bonanno, J.B, Almo, S.C. | | 登録日 | 2015-10-13 | | 公開日 | 2016-07-20 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | GBT440 increases haemoglobin oxygen affinity, reduces sickling and prolongs RBC half-life in a murine model of sickle cell disease.
Br.J.Haematol., 175, 2016
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3ETA
 | | Kinase domain of insulin receptor complexed with a pyrrolo pyridine inhibitor | | 分子名称: | 1-(3-{5-[4-(aminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)-3-(2-phenoxyphenyl)urea, insulin receptor, kinase domain | | 著者 | Patnaik, S, Stevens, K, Gerding, R, Deanda, F, Shotwell, B, Tang, J, Hamajima, T, Nakamura, H, Leesnitzer, A, Hassell, A, Shewchuk, L, Kumar, R, Lei, H, Chamberlain, S. | | 登録日 | 2008-10-07 | | 公開日 | 2009-05-26 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Discovery of 3,5-disubstituted-1H-pyrrolo[2,3-b]pyridines as potent inhibitors of the insulin-like growth factor-1 receptor (IGF-1R) tyrosine kinase.
Bioorg.Med.Chem.Lett., 19, 2009
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5LP2
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2UVK
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3ZRZ
 | | Crystal structure of the second and third fibronectin F1 modules in complex with a fragment of Streptococcus pyogenes SfbI-5 | | 分子名称: | FIBRONECTIN, FIBRONECTIN-BINDING PROTEIN, GLYCEROL, ... | | 著者 | Norris, N.C, Bingham, R.J, Potts, J.R. | | 登録日 | 2011-06-21 | | 公開日 | 2011-09-28 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural and Functional Analysis of the Tandem Beta-Zipper Interaction of a Streptococcal Protein with Human Fibronectin.
J.Biol.Chem., 286, 2011
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4WMV
 | | STRUCTURE OF MBP-MCL1 BOUND TO ligand 4 AT 2.4A | | 分子名称: | 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Clifton, M.C, Moulin, A. | | 登録日 | 2014-10-09 | | 公開日 | 2015-05-06 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10, 2015
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5U3I
 | | CRYSTAL STRUCTURE OF CARBONMONOXY HEMOGLOBIN S (LIGANDED SICKLE CELL HEMOGLOBIN) COMPLEXED WITH GBT compound 31 | | 分子名称: | 2-methoxy-5-({2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl}methoxy)pyridine-4-carbaldehyde, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | | 著者 | Partridge, J.R, Choy, R.M, Li, Z, Metcalf, B. | | 登録日 | 2016-12-02 | | 公開日 | 2017-02-22 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Discovery of GBT440, an Orally Bioavailable R-State Stabilizer of Sickle Cell Hemoglobin.
ACS Med Chem Lett, 8, 2017
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