7H69
 
 | | THE 1.67 A CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH 1-[(7-fluoronaphthalen-1-yl)methyl]indole-2-carboxylic acid | | 分子名称: | 1-[(7-fluoronaphthalen-1-yl)methyl]-1H-indole-2-carboxylic acid, Chymase, DIMETHYL SULFOXIDE, ... | | 著者 | Banner, D.W, Benz, J.M, Schlatter, D, Hilpert, H. | | 登録日 | 2024-04-19 | | 公開日 | 2025-03-05 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Crystal structures of human Chymase and Cathepsin G
To be published
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4PQT
 | | Insights into the mechanism of deubiquitination by JAMM deubiquitinases from co-crystal structures of enzyme with substrate and product | | 分子名称: | 1,2-ETHANEDIOL, AMSH-like protease sst2, Protein UBBP4, ... | | 著者 | Shrestha, R.K, Ronau, J.A, Das, C. | | 登録日 | 2014-03-04 | | 公開日 | 2014-06-18 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Insights into the Mechanism of Deubiquitination by JAMM Deubiquitinases from Cocrystal Structures of the Enzyme with the Substrate and Product.
Biochemistry, 53, 2014
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1CCZ
 | | CRYSTAL STRUCTURE OF THE CD2-BINDING DOMAIN OF CD58 (LYMPHOCYTE FUNCTION-ASSOCIATED ANTIGEN 3) AT 1.8-A RESOLUTION | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEIN (CD58) | | 著者 | Ikemizu, S, Sparks, L.M, Van Der Merwe, P.A, Harlos, K, Stuart, D.I, Jones, E.Y, Davis, S.J. | | 登録日 | 1999-03-02 | | 公開日 | 1999-04-05 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of the CD2-binding domain of CD58 (lymphocyte function-associated antigen 3) at 1.8-A resolution.
Proc.Natl.Acad.Sci.USA, 96, 1999
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9FFN
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4LNG
 | | Aspergillus fumigatus protein farnesyltransferase complex with farnesyldiphosphate and tipifarnib | | 分子名称: | 1,2-ETHANEDIOL, 6-[(S)-AMINO(4-CHLOROPHENYL)(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-4-(3-CHLOROPHENYL)-1-METHYLQUINOLIN-2(1H)-ONE, CaaX farnesyltransferase alpha subunit Ram2, ... | | 著者 | Mabanglo, M.F, Hast, M.A, Beese, L.S. | | 登録日 | 2013-07-11 | | 公開日 | 2014-01-01 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.905 Å) | | 主引用文献 | Crystal structures of the fungal pathogen Aspergillus fumigatus protein farnesyltransferase complexed with substrates and inhibitors reveal features for antifungal drug design.
Protein Sci., 23, 2014
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7ARB
 | | Cryo-EM structure of Arabidopsis thaliana Complex-I (complete composition) | | 分子名称: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, ... | | 著者 | Klusch, N, Kuelbrandt, W, Yildiz, O. | | 登録日 | 2020-10-23 | | 公開日 | 2021-12-15 | | 最終更新日 | 2025-07-02 | | 実験手法 | ELECTRON MICROSCOPY (3.41 Å) | | 主引用文献 | A ferredoxin bridge connects the two arms of plant mitochondrial complex I.
Plant Cell, 33, 2021
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7AR8
 | | Cryo-EM structure of Arabidopsis thaliana complex-I (closed conformation) | | 分子名称: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, ... | | 著者 | Klusch, N, Kuelbrandt, W, Yildiz, O. | | 登録日 | 2020-10-23 | | 公開日 | 2021-12-15 | | 最終更新日 | 2025-10-01 | | 実験手法 | ELECTRON MICROSCOPY (3.53 Å) | | 主引用文献 | A ferredoxin bridge connects the two arms of plant mitochondrial complex I.
Plant Cell, 33, 2021
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7FHS
 | | Crystal structure of DYRK1A in complex with RD0392 | | 分子名称: | (5~{Z})-5-[(3-ethoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, GLYCEROL | | 著者 | Kikuchi, M, Sumida, T, Hosoya, T, Kii, I, Umehara, T. | | 登録日 | 2021-07-30 | | 公開日 | 2022-03-23 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | Structure-activity relationship for the folding intermediate-selective inhibition of DYRK1A.
Eur.J.Med.Chem., 227, 2022
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4YAT
 | | Crystal structure of TRIM24 PHD-bromodomain complexed with N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-4-methoxybenzene-1-sulfonamide (5b) | | 分子名称: | N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-methoxybenzenesulfonamide, Transcription intermediary factor 1-alpha, ZINC ION | | 著者 | Poncet-Montange, G, Palmer, W, Jones, P. | | 登録日 | 2015-02-17 | | 公開日 | 2015-06-24 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
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5QIK
 | | TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH N-{4-[3-(6-fluoropyridin-3-yl)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}acetamide | | 分子名称: | GLYCEROL, N-{4-[3-(6-fluoropyridin-3-yl)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}acetamide, TGF-beta receptor type-1 | | 著者 | Sheriff, S. | | 登録日 | 2018-08-05 | | 公開日 | 2018-10-31 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Discovery of 4-Azaindole Inhibitors of TGF beta RI as Immuno-oncology Agents.
ACS Med Chem Lett, 9, 2018
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3NNB
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1XQ5
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4LI8
 | | TANKYRASE-1 complexed with small molecule inhibitor 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide | | 分子名称: | 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide, SULFATE ION, Tankyrase-1, ... | | 著者 | Kirby, C.A, Stams, T. | | 登録日 | 2013-07-02 | | 公開日 | 2013-08-14 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.521 Å) | | 主引用文献 | Identification of NVP-TNKS656: The Use of Structure-Efficiency Relationships To Generate a Highly Potent, Selective, and Orally Active Tankyrase Inhibitor.
J.Med.Chem., 56, 2013
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3N21
 | | Crystal structure of Thermolysin in complex with S-1,2-Propandiol | | 分子名称: | CALCIUM ION, S-1,2-PROPANEDIOL, Thermolysin, ... | | 著者 | Behnen, J, Heine, A, Klebe, G. | | 登録日 | 2010-05-17 | | 公開日 | 2011-05-25 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Experimental and computational active site mapping as a starting point to fragment-based lead discovery.
Chemmedchem, 7, 2012
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4YJ5
 | | Crystal structure of PKM2 mutant | | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, PYRUVIC ACID, ... | | 著者 | Liu, J.-S, Wu, C.-W, Wang, W.-C. | | 登録日 | 2015-03-03 | | 公開日 | 2016-03-09 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Mutations in the PKM2 exon-10 region are associated with reduced allostery and increased nuclear translocation
Commun Biol, 2, 2019
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7AR7
 | | Cryo-EM structure of Arabidopsis thaliana complex-I (open conformation) | | 分子名称: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, ... | | 著者 | Klusch, N, Kuelbrandt, W. | | 登録日 | 2020-10-23 | | 公開日 | 2022-03-02 | | 最終更新日 | 2025-10-01 | | 実験手法 | ELECTRON MICROSCOPY (3.72 Å) | | 主引用文献 | A ferredoxin bridge connects the two arms of plant mitochondrial complex I.
Plant Cell, 33, 2021
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3S0B
 | | Apis mellifera OBP14 in complex with the fluorescent probe 1-N-phenylnaphthylamine (NPN) | | 分子名称: | N-phenylnaphthalen-1-amine, OBP14 | | 著者 | Spinelli, S, Lagarde, A, Iovinella, I, Tegoni, M, Pelosi, P, Cambillau, C. | | 登録日 | 2011-05-13 | | 公開日 | 2011-11-30 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | | 主引用文献 | Crystal structure of Apis mellifera OBP14, a C-minus odorant-binding protein, and its complexes with odorant molecules.
Insect Biochem.Mol.Biol., 42, 2012
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4A32
 | | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A PYRAZOLE SULPHONAMIDE LIGAND | | 分子名称: | 3,5-DICHLORO-3'-[(DIETHYLAMINO)METHYL]-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BIPHENYL-4-SULFONAMIDE, GLYCEROL, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ... | | 著者 | Robinson, D.A, Brand, S, Cleghorn, L.A.T, McElroy, S.P, Smith, V.C, Hallyburton, I, Harrison, J.R, Norcross, N.R, Norval, S, Spinks, D, Stojanovski, L, Torrie, L.S, Frearson, J.A, Brenk, R, Fairlamb, A.H, Ferguson, M.A.J, Read, K.D, Wyatt, P.G, Gilbert, I.H. | | 登録日 | 2011-09-29 | | 公開日 | 2011-12-21 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors.
J. Med. Chem., 55, 2012
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4LRQ
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4AHR
 | | Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification | | 分子名称: | 3-(1,3-benzodioxol-5-yl)propanoic acid, ACETIC ACID, GLYCEROL, ... | | 著者 | Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J. | | 登録日 | 2012-02-07 | | 公開日 | 2012-12-19 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Parallel Screening of Low Molecular Weight Fragment Libraries: Do Differences in Methodology Affect Hit Identification?
J.Biomol.Screen, 18, 2013
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6HFY
 | | Influenza A virus N6 neuraminidase complex with DANA (Duck/England/56). | | 分子名称: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Salinger, M.T, Hobbs, J.R, Murray, J.W, Laver, W.G, Kuhn, P, Garman, E.F. | | 登録日 | 2018-08-22 | | 公開日 | 2018-08-29 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | High Resolution Structures of Viral Neuraminidase with Drugs Bound in the Active Site. (In preparation)
To Be Published
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6HG5
 | | Influenza A virus N6 neuraminidase complex with Oseltamivir (Duck/England/56). | | 分子名称: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Salinger, M.T, Hobbs, J.R, Murray, J.W, Laver, W.G, Kuhn, P, Garman, E.F. | | 登録日 | 2018-08-22 | | 公開日 | 2018-08-29 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | High Resolution Structures of Viral Neuraminidase with Drugs Bound in the Active Site.
To Be Published
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1X66
 | | Solution structure of the SAM_PNT-domain of the human friend LEUKEMIAINTEGRATION 1 transcription factor | | 分子名称: | Friend leukemia integration 1 transcription factor | | 著者 | Goroncy, A, Kigawa, T, Koshiba, S, Sato, M, Kobayashi, N, Tochio, N, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2005-05-17 | | 公開日 | 2005-11-17 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of the SAM_PNT-domain of the human friend LEUKEMIAINTEGRATION 1 transcription factor
To be Published
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6B06
 | | Crystal structure of CfFPPS2, a lepidopteran type-II farnesyl diphosphate synthase, complexed with IPP and [2-(1-methylpyridin-2-yl)-1-phosphono-ethyl]phosphonic acid (inhibitor 1b) | | 分子名称: | 2-(2,2-diphosphonoethyl)-1-methylpyridin-1-ium, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl diphosphate synthase, ... | | 著者 | Picard, M.-E, Cusson, M, Shi, R. | | 登録日 | 2017-09-13 | | 公開日 | 2017-12-13 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural characterization of a lepidopteran type-II farnesyl diphosphate synthase from the spruce budworm, Choristoneura fumiferana: Implications for inhibitor design.
Insect Biochem. Mol. Biol., 92, 2017
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2XCR
 | | The 3.5A crystal structure of the catalytic core (B'A' region) of Staphylococcus aureus DNA Gyrase complexed with GSK299423 and DNA | | 分子名称: | 5'-D(*5UA*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP *GP*CP*TP)-3', 5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP *GP*CP*TP)-3', 6-METHOXY-4-(2-{4-[([1,3]OXATHIOLO[5,4-C]PYRIDIN-6-YLMETHYL)AMINO]PIPERIDIN-1-YL}ETHYL)QUINOLINE-3-CARBONITRILE, ... | | 著者 | Bax, B.D, Chan, P.F, Eggleston, D.S, Fosberry, A, Gentry, D.R, Gorrec, F, Giordano, I, Hann, M.M, Hennessy, A, Hibbs, M, Huang, J, Jones, E, Jones, J, Brown, K.K, Lewis, C.J, May, E.W, Singh, O, Spitzfaden, C, Shen, C, Shillings, A, Theobald, A.F, Wohlkonig, A, Pearson, N.D, Gwynn, M.N. | | 登録日 | 2010-04-25 | | 公開日 | 2010-08-04 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Type Iia Topoisomerase Inhibition by a New Class of Antibacterial Agents.
Nature, 466, 2010
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