5NMT
 
 | | Dimer structure of Sortilin ectodomain crystal form 1, 2.3A | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | 著者 | Leloup, N.O.L, Janssen, B.J.C. | | 登録日 | 2017-04-07 | | 公開日 | 2017-11-29 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Low pH-induced conformational change and dimerization of sortilin triggers endocytosed ligand release.
Nat Commun, 8, 2017
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6NVF
 | | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 8 | | 分子名称: | (4-{[(1R,2R)-2-(carboxymethyl)cyclopentyl]methyl}phenyl)acetic acid, (4-{[(1S,2S)-2-(carboxymethyl)cyclopentyl]methyl}phenyl)acetic acid, ATP-dependent dethiobiotin synthetase BioD, ... | | 著者 | Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. | | 登録日 | 2019-02-05 | | 公開日 | 2020-02-12 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.989 Å) | | 主引用文献 | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 8
To Be Published
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5NCZ
 | | mPI3Kd IN COMPLEX WITH inh1 | | 分子名称: | 1,2-ETHANEDIOL, 4-azanyl-6-[[(1~{S})-1-[6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | 著者 | Petersen, J. | | 登録日 | 2017-03-06 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Design and Synthesis of Soluble and Cell-Permeable PI3K delta Inhibitors for Long-Acting Inhaled Administration.
J. Med. Chem., 60, 2017
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8QHU
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3FEX
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4OH2
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5NQ5
 | | Mtb TMK crystal structure in complex with compound 1 | | 分子名称: | 5-methyl-1-[(3~{S})-1-[(3-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4-dione, Thymidylate kinase | | 著者 | Merceron, R, Song, L, Munier-Lehmann, H, Van Calenbergh, S, Savvides, S. | | 登録日 | 2017-04-19 | | 公開日 | 2018-03-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Structure Guided Lead Generation toward Nonchiral M. tuberculosis Thymidylate Kinase Inhibitors.
J. Med. Chem., 61, 2018
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5NGT
 | | Crystal structure of human MTH1 in complex with inhibitor 7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine | | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, 7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine, SULFATE ION | | 著者 | Gustafsson, R, Rudling, A, Almlof, I, Homan, E, Scobie, M, Warpman Berglund, U, Helleday, T, Carlsson, J, Stenmark, P. | | 登録日 | 2017-03-20 | | 公開日 | 2017-10-04 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Fragment-Based Discovery and Optimization of Enzyme Inhibitors by Docking of Commercial Chemical Space.
J. Med. Chem., 60, 2017
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5FVJ
 | | Crystal structure of TacT (tRNA acetylating toxin) from Salmonella | | 分子名称: | ACETYL COENZYME *A, PUTATIVE ACETYLTRANSFERASE | | 著者 | Przydacz, M, Wong, C.T, Cheverton, A.M, Gollan, B, Mylona, A, Helaine, S, Hare, S.A. | | 登録日 | 2016-02-08 | | 公開日 | 2016-06-01 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | A Salmonella Toxin Promotes Persister Formation Through Acetylation of tRNA.
Mol.Cell, 63, 2016
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5NQK
 | | human 199.16 TCR in complex with Melan-A/MART-1 (26-35) peptide and HLA-A2 | | 分子名称: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | | 著者 | Exertier, C, Reiser, J.-B, Lantez, V, Chouquet, A, Bonneville, M, Saulquin, X, Housset, D. | | 登録日 | 2017-04-20 | | 公開日 | 2018-05-30 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | | 主引用文献 | human 199.16 TCR in complex with Melan-A/MART-1 (26-35) peptide and HLA-A2
To Be Published
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5NMG
 | | 868 TCR in complex with HLA A02 presenting SLYFNTIAVL | | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | | 著者 | Rizkallah, P.J, Cole, D.K, Fuller, A, Sewell, A.K. | | 登録日 | 2017-04-05 | | 公開日 | 2017-11-15 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Dual Molecular Mechanisms Govern Escape at Immunodominant HLA A2-Restricted HIV Epitope.
Front Immunol, 8, 2017
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5O8H
 | | Crystal structure of R. ruber ADH-A, mutant Y294F, W295A, F43H, H39Y | | 分子名称: | Alcohol dehydrogenase, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Dobritzsch, D, Maurer, D, Hamnevik, E, Reddy Enugala, T, Widersten, M. | | 登録日 | 2017-06-13 | | 公開日 | 2017-10-11 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Relaxation of nonproductive binding and increased rate of coenzyme release in an alcohol dehydrogenase increases turnover with a nonpreferred alcohol enantiomer.
FEBS J., 284, 2017
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7KGB
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1UZR
 | | Crystal Structure of the Class Ib Ribonucleotide Reductase R2F-2 subunit from Mycobacterium tuberculosis | | 分子名称: | CITRIC ACID, FE (III) ION, GLYCEROL, ... | | 著者 | Uppsten, M, Davis, J, Rubin, H, Uhlin, U. | | 登録日 | 2004-03-15 | | 公開日 | 2004-07-08 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal Structure of the Biologically Active Form of Class Ib Ribonucleotide Reductase Small Subunit from Mycobacterium Tuberculosis
FEBS Lett., 569, 2004
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3MED
 | | HIV-1 K103N Reverse Transcriptase in Complex with TMC125 | | 分子名称: | 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE, CHLORIDE ION, SULFATE ION, ... | | 著者 | Lansdon, E.B. | | 登録日 | 2010-03-31 | | 公開日 | 2010-05-12 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal Structures of HIV-1 Reverse Transcriptase with Etravirine (TMC125) and Rilpivirine (TMC278): Implications for Drug Design.
J.Med.Chem., 53, 2010
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5O90
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5O9D
 | | Crystal structure of R. ruber ADH-A, mutant Y294F, W295A, Y54F, F43H, H39Y | | 分子名称: | (2~{S})-2-methylpentanedioic acid, Alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Dobritzsch, D, Maurer, D, Hamnevik, E, Enugala, T.R, Widersten, M. | | 登録日 | 2017-06-19 | | 公開日 | 2017-10-11 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Relaxation of nonproductive binding and increased rate of coenzyme release in an alcohol dehydrogenase increases turnover with a nonpreferred alcohol enantiomer.
FEBS J., 284, 2017
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5O9F
 | | Crystal structure of R. ruber ADH-A, mutant Y294F, W295A, Y54F, F43S, H39Y | | 分子名称: | (2~{S})-2-methylpentanedioic acid, Alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Dobritzsch, D, Maurer, D, Hamnevik, E, Enugala, T.R, Widersten, M. | | 登録日 | 2017-06-19 | | 公開日 | 2017-10-11 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Relaxation of nonproductive binding and increased rate of coenzyme release in an alcohol dehydrogenase increases turnover with a nonpreferred alcohol enantiomer.
FEBS J., 284, 2017
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5OA3
 | | Human 40S-eIF2D-re-initiation complex | | 分子名称: | 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ... | | 著者 | Weisser, M, Schaefer, T, Leibundgut, M, Boehringer, D, Aylett, C.H.S, Ban, N. | | 登録日 | 2017-06-20 | | 公開日 | 2017-08-09 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | | 主引用文献 | Structural and Functional Insights into Human Re-initiation Complexes.
Mol. Cell, 67, 2017
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5GNB
 | | Crystal Structure of the Receptor Binding Domain of the Spike Glycoprotein of Human Betacoronavirus HKU1 (HKU1 1A-CTD, 2.3 angstrom, native-SAD phasing) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | 著者 | Guan, H, Wojdyla, J.A, Wang, M, Cui, S. | | 登録日 | 2016-07-20 | | 公開日 | 2017-06-07 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of the receptor binding domain of the spike glycoprotein of human betacoronavirus HKU1
Nat Commun, 8, 2017
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5N4M
 | | Human myelin protein P2, mutant I43N | | 分子名称: | D-MALATE, Myelin P2 protein, PALMITIC ACID, ... | | 著者 | Ruskamo, S, Kursula, P. | | 登録日 | 2017-02-11 | | 公開日 | 2017-08-09 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Molecular mechanisms of Charcot-Marie-Tooth neuropathy linked to mutations in human myelin protein P2.
Sci Rep, 7, 2017
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5N4P
 | | Human myelin P2, mutant I52T | | 分子名称: | D-MALATE, Myelin P2 protein, PALMITIC ACID, ... | | 著者 | Ruskamo, S, Kursula, P. | | 登録日 | 2017-02-11 | | 公開日 | 2017-08-09 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.533 Å) | | 主引用文献 | Molecular mechanisms of Charcot-Marie-Tooth neuropathy linked to mutations in human myelin protein P2.
Sci Rep, 7, 2017
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5NLC
 | | Structure of PipY, the COG0325 family member of Synechococcus elongatus PCC7942,without PLP | | 分子名称: | PHOSPHATE ION, PipY | | 著者 | Tremino, L, Forcada-Nadal, A, Contreras, A, Rubio, V. | | 登録日 | 2017-04-04 | | 公開日 | 2017-09-13 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Studies on cyanobacterial protein PipY shed light on structure, potential functions, and vitamin B6 -dependent epilepsy.
FEBS Lett., 591, 2017
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3MEE
 | | HIV-1 Reverse Transcriptase in Complex with TMC278 | | 分子名称: | 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, SULFATE ION, p51 Reverse transcriptase, ... | | 著者 | Lansdon, E.B. | | 登録日 | 2010-03-31 | | 公開日 | 2010-05-12 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal Structures of HIV-1 Reverse Transcriptase with Etravirine (TMC125) and Rilpivirine (TMC278): Implications for Drug Design.
J.Med.Chem., 53, 2010
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3IPX
 | | X-Ray structure of Human Deoxycytidine Kinase in complex with ADP and an inhibitor | | 分子名称: | 2'-deoxy-5-fluorocytidine, ADENOSINE-5'-DIPHOSPHATE, Deoxycytidine kinase, ... | | 著者 | Tari, L.W, Swanson, R.V, Hunter, M, Hoffman, I, Stouch, T.R, Carson, K.G. | | 登録日 | 2009-08-18 | | 公開日 | 2010-08-18 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Lead optimization and structure-based design of potent and bioavailable deoxycytidine kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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