2OWP
 
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3ZLL
 | | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-azanyl-6-oxidanyl-1-(phenylmethyl)pyrimidine-2,4-dione, CHLORIDE ION, ... | | 著者 | Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Sarkar, A, Brenk, R, Westwood, N.J, Gray, D, Naismith, J.H. | | 登録日 | 2013-02-01 | | 公開日 | 2013-02-20 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
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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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1GFZ
 | | FLAVOPIRIDOL INHIBITS GLYCOGEN PHOSPHORYLASE BY BINDING AT THE INHIBITOR SITE | | 分子名称: | CAFFEINE, GLYCOGEN PHOSPHORYLASE, INOSINIC ACID, ... | | 著者 | Oikonomakos, N.G, Zographos, S.E, Skamnaki, V.T, Tsitsanou, K.E, Johnson, L.N. | | 登録日 | 2000-06-29 | | 公開日 | 2000-07-26 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Flavopiridol inhibits glycogen phosphorylase by binding at the inhibitor site.
J.Biol.Chem., 275, 2000
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1VMI
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1VKQ
 | | A re-determination of the structure of the triple mutant (K53,56,120M) of phospholipase A2 at 1.6A resolution using sulphur-SAS at 1.54A wavelength | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Sekar, K, Velmurugan, D, Rajakannan, V, Yamane, T, Dauter, M, Dauter, Z. | | 登録日 | 2004-06-12 | | 公開日 | 2004-08-31 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A redetermination of the structure of the triple mutant (K53,56,120M) of phospholipase A2 at 1.6 A resolution using sulfur-SAS at 1.54 A wavelength.
Acta Crystallogr.,Sect.D, 60, 2004
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6ANY
 | | Structure of BmVAL-1 | | 分子名称: | Bm4233, isoform b, SULFATE ION, ... | | 著者 | Asojo, O.A. | | 登録日 | 2017-08-14 | | 公開日 | 2018-03-28 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Crystal structure of Brugia malayi venom allergen-like protein-1 (BmVAL-1), a vaccine candidate for lymphatic filariasis.
Int. J. Parasitol., 48, 2018
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3PPL
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1H08
 | | CDK2 in complex with a disubstituted 2, 4-bis anilino pyrimidine CDK4 inhibitor | | 分子名称: | (2R)-1-{4-[(4-ANILINO-5-BROMOPYRIMIDIN-2-YL)AMINO]PHENOXY}-3-(DIMETHYLAMINO)PROPAN-2-OL, (2S)-1-{4-[(4-ANILINO-5-BROMOPYRIMIDIN-2-YL)AMINO]PHENOXY}-3-(DIMETHYLAMINO)PROPAN-2-OL, CELL DIVISION PROTEIN KINASE 2, ... | | 著者 | Breault, G.A, Ellston, R.P.A, Green, S, James, S.R, Jewsbury, P.J, Midgley, C.J, Minshull, C.A, Pauptit, R.A, Tucker, J.A, Pease, J.E. | | 登録日 | 2002-06-11 | | 公開日 | 2003-07-11 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Cyclin-Dependent Kinase 4 Inhibitors as a Treatment for Cancer. Part 1: Identification and Optimisation of Substituted 4,6-Bis Anilino Pyrimidines
Bioorg.Med.Chem.Lett., 13, 2003
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1YQV
 | | The crystal structure of the antibody Fab HyHEL5 complex with lysozyme at 1.7A resolution | | 分子名称: | Hen Egg White Lysozyme, HyHEL-5 Antibody Heavy Chain, HyHEL-5 Antibody Light Chain | | 著者 | Cohen, G.H, Silverton, E.W, Padlan, E.A, Dyda, F, Wibbenmeyer, J.A, Wilson, R.C, Davies, D.R. | | 登録日 | 2005-02-02 | | 公開日 | 2005-04-26 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Water molecules in the antibody-antigen interface of the structure of the Fab HyHEL-5-lysozyme complex at 1.7 A resolution: comparison with results from isothermal titration calorimetry.
Acta Crystallogr.,Sect.D, 61, 2005
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7E7O
 | | Cryo-EM structure of human ABCA4 in NRPE-bound state | | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Retinal-specific phospholipid-transporting ATPase ABCA4, ... | | 著者 | Xie, T, Zhang, Z.K, Gong, X. | | 登録日 | 2021-02-26 | | 公開日 | 2021-06-30 | | 最終更新日 | 2025-06-18 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Structural basis of substrate recognition and translocation by human ABCA4.
Nat Commun, 12, 2021
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7E7I
 | | Cryo-EM structure of human ABCA4 in the apo state | | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Retinal-specific phospholipid-transporting ATPase ABCA4, ... | | 著者 | Xie, T, Zhang, Z.K, Gong, X. | | 登録日 | 2021-02-26 | | 公開日 | 2021-06-30 | | 最終更新日 | 2025-07-02 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Structural basis of substrate recognition and translocation by human ABCA4.
Nat Commun, 12, 2021
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7E14
 | | Compound2_GLP-1R_OWL833_Gs complex structure | | 分子名称: | 3-[(1S,2S)-1-(5-[(4S)-2,2-dimethyloxan-4-yl]-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl)-2-methylcyclopropyl]-1,2,4-oxadiazol-5(4H)-one, CHOLESTEROL, G protein, ... | | 著者 | Cong, Z.T, Chen, L.N, Ma, H.L, Yang, D.H, Xu, H.E, Zhang, Y, Wang, M.W. | | 登録日 | 2021-01-30 | | 公開日 | 2021-07-07 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Molecular insights into ago-allosteric modulation of the human glucagon-like peptide-1 receptor.
Nat Commun, 12, 2021
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2NXL
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3UDS
 | | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with ADP. | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Inositol-pentakisphosphate 2-kinase, MAGNESIUM ION | | 著者 | Gosein, V, Leung, T.-F, Krajden, O, Miller, G.J. | | 登録日 | 2011-10-28 | | 公開日 | 2012-03-14 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Inositol phosphate-induced stabilization of inositol 1,3,4,5,6-pentakisphosphate 2-kinase and its role in substrate specificity.
Protein Sci., 21, 2012
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4GV1
 | | PKB alpha in complex with AZD5363 | | 分子名称: | 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide, GLYCEROL, RAC-alpha serine/threonine-protein kinase | | 著者 | Addie, M, Ballard, P, Bird, G, Buttar, D, Currie, G, Davies, B, Debreczeni, J, Dry, H, Dudley, P, Greenwood, R, Hatter, G, Jestel, A, Johnson, P.D, Kettle, J.G, Lane, C, Lamont, G, Leach, A, Luke, R.W.A, Ogilvie, D, Page, K, Pass, M, Steinbacher, S, Steuber, H, Pearson, S, Ruston, L. | | 登録日 | 2012-08-30 | | 公開日 | 2013-02-27 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Discovery of 4-Amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (AZD5363), an Orally Bioavailable, Potent Inhibitor of Akt Kinases.
J.Med.Chem., 56, 2013
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3REA
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3RK8
 | | Crystal structure of the chloride inhibited dihydrodipicolinate synthase from Acinetobacter baumannii complexed with pyruvate at 1.8 A resolution | | 分子名称: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Dihydrodipicolinate synthase, ... | | 著者 | Kaushik, S, Singh, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | 登録日 | 2011-04-17 | | 公開日 | 2011-04-27 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of the chloride inhibited dihydrodipicolinate synthase from Acinetobacter baumannii complexed with pyruvate at 1.8 A resolution
To be Published
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2PLE
 | | NUCLEAR MAGNETIC RESONANCE STRUCTURE OF AN SH2 DOMAIN OF PHOSPHOLIPASE C-GAMMA1 COMPLEXED WITH A HIGH AFFINITY BINDING PEPTIDE | | 分子名称: | PHOSPHOLIPASE C GAMMA-1, C-TERMINAL SH2 DOMAIN, PHOSPHOPEPTIDE FROM PDGF | | 著者 | Pascal, S.M, Singer, A.U, Gish, G, Yamazaki, T, Shoelson, S.E, Pawson, T, Kay, L.E, Forman-Kay, J.D. | | 登録日 | 1994-08-19 | | 公開日 | 1995-01-26 | | 最終更新日 | 2024-11-20 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Nuclear magnetic resonance structure of an SH2 domain of phospholipase C-gamma 1 complexed with a high affinity binding peptide.
Cell(Cambridge,Mass.), 77, 1994
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3NDX
 | | HIV-1 Protease Saquinavir:Ritonavir 1:50 complex structure | | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Geremia, S, Olajuyigbe, F.M, Demitri, N. | | 登録日 | 2010-06-08 | | 公開日 | 2011-07-20 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | | 主引用文献 | Investigation of 2-Fold Disorder of Inhibitors and Relative Potency by Crystallizations of HIV-1 Protease in Ritonavir and Saquinavir Mixtures
Cryst.Growth Des., 11, 2011
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4A22
 | | Structure of Mycobacterium tuberculosis fructose 1,6-bisphosphate aldolase bound to N-(4-hydroxybutyl)- glycolohydroxamic acid bis- phosphate | | 分子名称: | 4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydrogen phosphate, FRUCTOSE-BISPHOSPHATE ALDOLASE, SODIUM ION, ... | | 著者 | Coincon, M, De la Paz Santangelo, M, Gest, P.M, Guerin, M.E, Pham, H, Ryan, G, Puckett, S.E, Spencer, J.S, Gonzalez-Juarrero, M, Daher, R, Lenaerts, A.J, Schnappinger, D, Therisod, M, Ehrt, S, Jackson, M, Sygusch, J. | | 登録日 | 2011-09-21 | | 公開日 | 2011-10-12 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Glycolytic and non-glycolytic functions of Mycobacterium tuberculosis fructose-1,6-bisphosphate aldolase, an essential enzyme produced by replicating and non-replicating bacilli.
J. Biol. Chem., 286, 2011
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4HDQ
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1IF1
 | | INTERFERON REGULATORY FACTOR 1 (IRF-1) COMPLEX WITH DNA | | 分子名称: | DNA (26-MER), PROTEIN (INTERFERON REGULATORY FACTOR 1) | | 著者 | Escalante, C.R, Yie, J, Thanos, D, Aggarwal, A. | | 登録日 | 1997-09-12 | | 公開日 | 1998-02-25 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structure of IRF-1 with bound DNA reveals determinants of interferon regulation.
Nature, 391, 1998
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2Z5O
 | | Complex of Transportin 1 with JKTBP NLS | | 分子名称: | Heterogeneous nuclear ribonucleoprotein D-like, Transportin-1 | | 著者 | Imasaki, T, Shimizu, T, Hashimoto, H, Hidaka, Y, Kose, S, Imamoto, N, Yamada, M, Sato, M. | | 登録日 | 2007-07-14 | | 公開日 | 2007-10-23 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Structural basis for substrate recognition and dissociation by human transportin 1
Mol.Cell, 28, 2007
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4JOO
 | | Spirocyclic Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors | | 分子名称: | (4R)-2'-amino-6-bromo-1',2,2-trimethyl-2,3-dihydrospiro[chromene-4,4'-imidazol]-5'(1'H)-one, Beta-secretase 1, NICKEL (II) ION | | 著者 | Vigers, G.P.A, Smith, D. | | 登録日 | 2013-03-18 | | 公開日 | 2013-04-10 | | 最終更新日 | 2024-11-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Spirocyclic beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors: from hit to lowering of cerebrospinal fluid (CSF) amyloid beta in a higher species.
J.Med.Chem., 56, 2013
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