5NN3
 
 | | Crystal structure of human lysosomal acid-alpha-glucosidase, GAA | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Roig-Zamboni, V, Cobucci-Ponzano, B, Iacono, R, Ferrara, M.C, Germany, S, Parenti, G, Bourne, Y, Moracci, M. | | 登録日 | 2017-04-08 | | 公開日 | 2017-10-25 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure of human lysosomal acid alpha-glucosidase-a guide for the treatment of Pompe disease.
Nat Commun, 8, 2017
|
|
5OIN
 | |
5NTQ
 | |
5O38
 | | Human Brd2(BD2) mutant in free form | | 分子名称: | (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, 3-[(2~{R})-2-oxidanylpropoxy]-2-[[(2~{R})-2-oxidanylpropoxy]methyl]-2-[[(2~{S})-2-oxidanylpropoxy]methyl]propan-1-ol, Bromodomain-containing protein 2, ... | | 著者 | Chan, K.-H, Runcie, A.C, Ciulli, A. | | 登録日 | 2017-05-23 | | 公開日 | 2018-02-14 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
|
|
5O3C
 | | Human Brd2(BD2) mutant in complex with 9-Me | | 分子名称: | (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, CHLORIDE ION, ... | | 著者 | Runcie, A.C, Chan, K.-H, Ciulli, A. | | 登録日 | 2017-05-23 | | 公開日 | 2018-02-14 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
|
|
5O3I
 | | Human Brd2(BD2) mutant in complex with AL-tBu | | 分子名称: | (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, CHLORIDE ION, ... | | 著者 | Chan, K.-H, Runcie, A.C, Ciulli, A. | | 登録日 | 2017-05-23 | | 公開日 | 2018-02-14 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
|
|
5NXI
 | | Carbonic Anhydrase II Inhibitor RA2 | | 分子名称: | 4-[(4-bromophenyl)sulfonylamino]benzenesulfonamide, CITRIC ACID, Carbonic anhydrase 2, ... | | 著者 | Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J. | | 登録日 | 2017-05-10 | | 公開日 | 2018-01-17 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | | 主引用文献 | Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes.
Chemphyschem, 19, 2018
|
|
5NXO
 | | Carbonic Anhydrase II Inhibitor RA6 | | 分子名称: | 4-[(4-nitrophenyl)methyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | | 著者 | Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J. | | 登録日 | 2017-05-10 | | 公開日 | 2018-01-17 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes.
Chemphyschem, 19, 2018
|
|
5O3B
 | | Human Brd2(BD2) mutant in complex with AL | | 分子名称: | Bromodomain-containing protein 2, methyl (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]pent-4-enoate | | 著者 | Runcie, A.C, Chan, K.-H, Ciulli, A. | | 登録日 | 2017-05-23 | | 公開日 | 2018-02-14 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
|
|
5O65
 | | Crystal Structure of the Pseudomonas functional amyloid secretion protein FapF | | 分子名称: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, FapF, LAURYL DIMETHYLAMINE-N-OXIDE, ... | | 著者 | Rouse, S.L, Hare, S, Lambert, S, Morgan, R.M.L, Hawthorne, W.J, Berry, J, Matthews, S.J. | | 登録日 | 2017-06-05 | | 公開日 | 2017-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | A new class of hybrid secretion system is employed in Pseudomonas amyloid biogenesis.
Nat Commun, 8, 2017
|
|
5OIC
 | |
5OIO
 | | InhA (T2A mutant) complexed with 5-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)-N-ethyl-1,3,4-thiadiazol-2-amine | | 分子名称: | 5-[(3,5-dimethylpyrazol-1-yl)methyl]-~{N}-ethyl-1,3,4-thiadiazol-2-amine, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Convery, M.A. | | 登録日 | 2017-07-19 | | 公開日 | 2018-02-14 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | | 主引用文献 | Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
|
|
5OIM
 | |
5OIT
 | |
5OGC
 | | Molecular basis of human kinesin-8 function and inhibition | | 分子名称: | 4-chloranyl-2-nitro-1-(phenylsulfonyl)benzene, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Locke, J, Joseph, A.P, Topf, M, Moores, C.A. | | 登録日 | 2017-07-12 | | 公開日 | 2017-10-25 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (4.8 Å) | | 主引用文献 | Structural basis of human kinesin-8 function and inhibition.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
5OIR
 | |
5OLJ
 | |
5OIF
 | | InhA (T2A mutant) complexed with 1-benzyl-3-methyl-1H-pyrazol-5-amine | | 分子名称: | 5-methyl-2-(phenylmethyl)pyrazol-3-amine, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Convery, M.A. | | 登録日 | 2017-07-18 | | 公開日 | 2018-02-14 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
|
|
5OIL
 | |
5QFC
 | | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOMB000140a | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-[(thiophen-2-yl)methyl]benzenesulfonamide, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | | 登録日 | 2018-08-30 | | 公開日 | 2018-10-10 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.841 Å) | | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
|
|
5O3A
 | | Human Brd2(BD2) mutant in complex with ET | | 分子名称: | Bromodomain-containing protein 2, methyl (2R)-2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butanoate | | 著者 | Chan, K.-H, Runcie, A.C, Ciulli, A. | | 登録日 | 2017-05-23 | | 公開日 | 2018-02-14 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
|
|
5O3E
 | | Human Brd2(BD2) mutant in complex with Me-Am1 | | 分子名称: | (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{N}-ethyl-propanamide, (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, ... | | 著者 | Chan, K.-H, Runcie, A.C, Ciulli, A. | | 登録日 | 2017-05-23 | | 公開日 | 2018-02-14 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
|
|
5O3D
 | | Human Brd2(BD2) mutant in complex with 9-ET | | 分子名称: | (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, CHLORIDE ION, ... | | 著者 | Chan, K.-H, Runcie, A.C, Ciulli, A. | | 登録日 | 2017-05-23 | | 公開日 | 2018-02-14 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
|
|
5NYA
 | | Carbonic Anhydrase II Inhibitor RA13 | | 分子名称: | Carbonic anhydrase 2, GLUTARIC ACID, ZINC ION, ... | | 著者 | Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J. | | 登録日 | 2017-05-11 | | 公開日 | 2018-01-17 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes.
Chemphyschem, 19, 2018
|
|
5O3G
 | | Human Brd2(BD2) mutant in complex with AL-Am1 | | 分子名称: | (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{N}-ethyl-pent-4-enamide, Bromodomain-containing protein 2 | | 著者 | Chan, K.-H, Runcie, A.C, Ciulli, A. | | 登録日 | 2017-05-23 | | 公開日 | 2018-02-14 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
|
|
