1Q8F
 
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1JNQ
 | | LIPOXYGENASE-3 (SOYBEAN) COMPLEX WITH EPIGALLOCATHECHIN (EGC) | | 分子名称: | 2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-3,5,7-TRIOL, FE (II) ION, lipoxygenase-3 | | 著者 | Zhou, K, Skrzypczak-Jankun, E, Jankun, J. | | 登録日 | 2001-07-24 | | 公開日 | 2003-06-03 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Inhibition of lipoxygenase by (-)-epigallocatechin gallate: X-ray analysis at 2.1 A reveals degradation of EGCG
and shows soybean LOX-3 complex with EGC instead.
INT.J.MOL.MED., 12, 2003
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1OQ5
 | | CARBONIC ANHYDRASE II IN COMPLEX WITH NANOMOLAR INHIBITOR | | 分子名称: | 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, Carbonic anhydrase II, ZINC ION | | 著者 | Weber, A, Casini, A, Heine, A, Kuhn, D, Supuran, C.T, Scozzafava, A, Klebe, G. | | 登録日 | 2003-03-07 | | 公開日 | 2004-03-23 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition.
J.Med.Chem., 47, 2004
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1PQ3
 | | Human Arginase II: Crystal Structure and Physiological Role in Male and Female Sexual Arousal | | 分子名称: | Arginase II, mitochondrial precursor, CHLORIDE ION, ... | | 著者 | Cama, E, Colleluori, D.M, Emig, F.A, Shin, H, Kim, S.W, Kim, N.N, Traish, A.M, Ash, D.E, Christianson, D.W. | | 登録日 | 2003-06-17 | | 公開日 | 2003-08-12 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Human Arginase II: Crystal Structure and Physiological Role in Male and Female Sexual Arousal
Biochemistry, 42, 2003
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1NAV
 | | Thyroid Receptor Alpha in complex with an agonist selective for Thyroid Receptor Beta1 | | 分子名称: | SULFATE ION, hormone receptor alpha 1, THRA1, ... | | 著者 | Ye, L, Li, Y.L, Mellstrom, K, Mellin, C, Bladh, L.G, Koehler, K, Garg, N, Garcia Collazo, A.M, Litten, C, Husman, B, Persson, K, Ljunggren, J, Grover, G, Sleph, P.G, George, R, Malm, J. | | 登録日 | 2002-11-29 | | 公開日 | 2003-06-17 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Thyroid receptor ligands. 1. Agonist ligands selective for the thyroid receptor beta1.
J.Med.Chem., 46, 2003
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1PYE
 | | Crystal structure of CDK2 with inhibitor | | 分子名称: | Cell division protein kinase 2, [2-AMINO-6-(2,6-DIFLUORO-BENZOYL)-IMIDAZO[1,2-A]PYRIDIN-3-YL]-PHENYL-METHANONE | | 著者 | Zhang, F, Hamdouchi, C. | | 登録日 | 2003-07-08 | | 公開日 | 2004-07-13 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The discovery of a new structural class of cyclin-dependent kinase inhibitors, aminoimidazo[1,2-a]pyridines.
MOL.CANCER THER., 3, 2004
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1NAX
 | | Thyroid receptor beta1 in complex with a beta-selective ligand | | 分子名称: | Thyroid hormone receptor beta-1, {3,5-DICHLORO-4-[4-HYDROXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}ACETIC ACID | | 著者 | Ye, L, Li, Y.L, Mellstrom, K, Mellin, C, Bladh, L.G, Koehler, K, Garg, N, Garcia Collazo, A.M, Litten, C, Husman, B, Persson, K, Ljunggren, J, Grover, G, Sleph, P.G, George, R, Malm, J. | | 登録日 | 2002-11-29 | | 公開日 | 2003-06-17 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Thyroid receptor ligands. 1. Agonist ligands selective for the thyroid receptor beta1.
J.Med.Chem., 46, 2003
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1NIR
 | | OXYDIZED NITRITE REDUCTASE FROM PSEUDOMONAS AERUGINOSA | | 分子名称: | CHLORIDE ION, HEME C, HEME D, ... | | 著者 | Nurizzo, D, Tegoni, M, Cambillau, C. | | 登録日 | 1997-06-17 | | 公開日 | 1997-12-03 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | N-terminal arm exchange is observed in the 2.15 A crystal structure of oxidized nitrite reductase from Pseudomonas aeruginosa.
Structure, 5, 1997
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1SA5
 | | Rat protein farnesyltransferase complexed with FPP and BMS-214662 | | 分子名称: | 3-BENZYL-1-(1H-IMIDAZOL-4-YLMETHYL)-4-(THIEN-2-YLSULFONYL)-2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPINE-7-CARBONITRILE, ACETIC ACID, FARNESYL DIPHOSPHATE, ... | | 著者 | Reid, T.S, Beese, L.S. | | 登録日 | 2004-02-06 | | 公開日 | 2004-06-08 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystal Structures of the Anticancer Clinical Candidates R115777 (Tipifarnib) and BMS-214662 Complexed with Protein Farnesyltransferase Suggest a Mechanism of FTI Selectivity.
Biochemistry, 43, 2004
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7WA8
 | | Strigolactone receptors in Striga ShHTL7 | | 分子名称: | Hyposensitive to light 7 | | 著者 | Wang, Y, Yao, R. | | 登録日 | 2021-12-12 | | 公開日 | 2022-01-05 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Molecular basis for high ligand sensitivity and selectivity of strigolactone receptors in Striga.
Plant Physiology, Volume 185, 2021
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1TKX
 | | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW490745 | | 分子名称: | 4-[(CYCLOPROPYLETHYNYL)OXY]-6-FLUORO-3-ISOPROPYLQUINOLIN-2(1H)-ONE, Pol polyprotein, Reverse transcriptase, ... | | 著者 | Ren, J, Hopkins, A.L, Stuart, D.I, Stammers, D.K. | | 登録日 | 2004-06-09 | | 公開日 | 2004-12-07 | | 最終更新日 | 2022-12-21 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 2.
J.Med.Chem., 47, 2004
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7ZYN
 | | Crystal Structure of EGFR-T790M/C797S in Complex with WZ4002 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide | | 著者 | Niggenaber, J, Kleinboelting, S, Mueller, M.P, Rauh, D. | | 登録日 | 2022-05-25 | | 公開日 | 2023-05-03 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Addressing the Osimertinib Resistance Mutation EGFR-L858R/C797S with Reversible Aminopyrimidines.
Acs Med.Chem.Lett., 14, 2023
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7ZYM
 | | Crystal Structure of EGFR-T790M/C797S in Complex with Brigatinib | | 分子名称: | 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine, Epidermal growth factor receptor | | 著者 | Niggenaber, J, Kleinboelting, S, Mueller, M.P, Rauh, D. | | 登録日 | 2022-05-25 | | 公開日 | 2023-05-03 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Addressing the Osimertinib Resistance Mutation EGFR-L858R/C797S with Reversible Aminopyrimidines.
Acs Med.Chem.Lett., 14, 2023
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7ZYP
 | | Crystal Structure of EGFR-T790M/C797S in Complex with Reversible Aminopyrimidine 9 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, propan-2-yl 2-[[4-(4-azanylpiperidin-1-yl)-2-methoxy-phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate | | 著者 | Niggenaber, J, Kleinboelting, S, Mueller, M.P, Rauh, D. | | 登録日 | 2022-05-25 | | 公開日 | 2023-05-03 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Addressing the Osimertinib Resistance Mutation EGFR-L858R/C797S with Reversible Aminopyrimidines.
Acs Med.Chem.Lett., 14, 2023
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7ZYQ
 | | Crystal Structure of EGFR-T790M/V948R in Complex with Reversible Aminopyrimidine 13 | | 分子名称: | CHLORIDE ION, Epidermal growth factor receptor, SODIUM ION, ... | | 著者 | Niggenaber, J, Mueller, M.P, Rauh, D. | | 登録日 | 2022-05-25 | | 公開日 | 2023-05-03 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Addressing the Osimertinib Resistance Mutation EGFR-L858R/C797S with Reversible Aminopyrimidines.
Acs Med.Chem.Lett., 14, 2023
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8AIJ
 | | STRUCTURE OF THE LECB LECTIN FROM PSEUDOMONAS AERUGINOSA STRAIN PAO1 IN COMPLEX WITH N-(alpha-L-Fucopyranosyl)benzamide (6) | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Fucose-binding lectin PA-IIL, ... | | 著者 | Meiers, J, Mala, P, Varrot, A, Siebs, E, Imberty, A, Titz, A. | | 登録日 | 2022-07-26 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Discovery of N -beta-l-Fucosyl Amides as High-Affinity Ligands for the Pseudomonas aeruginosa Lectin LecB.
J.Med.Chem., 65, 2022
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8AIY
 | | STRUCTURE OF THE LECB LECTIN FROM PSEUDOMONAS AERUGINOSA STRAIN PAO1 IN COMPLEX WITH N-(beta-L-Fucopyranosyl)-biphenyl-3-carboxamide (4i) | | 分子名称: | CALCIUM ION, Fucose-binding lectin PA-IIL, N-(beta-L-Fucopyranosyl)-biphenyl-3-carboxamide, ... | | 著者 | Meiers, J, Mala, P, Varrot, A, Siebs, E, Imberty, A, Titz, A. | | 登録日 | 2022-07-27 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Discovery of N -beta-l-Fucosyl Amides as High-Affinity Ligands for the Pseudomonas aeruginosa Lectin LecB.
J.Med.Chem., 65, 2022
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1UAW
 | | Solution structure of the N-terminal RNA-binding domain of mouse Musashi1 | | 分子名称: | mouse-musashi-1 | | 著者 | Miyanoiri, Y, Kobayashi, H, Watanabe, M, Ikeda, T, Nagata, T, Okano, H, Uesugi, S, Katahira, M. | | 登録日 | 2003-03-24 | | 公開日 | 2004-03-24 | | 最終更新日 | 2023-12-27 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Origin of higher affinity to RNA of the N-terminal RNA-binding domain than that of the C-terminal one of a mouse neural protein, musashi1, as revealed by comparison of their structures, modes of interaction, surface electrostatic potentials, and backbone dynamics
J.Biol.Chem., 278, 2003
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1UDT
 | | Crystal structure of Human Phosphodiesterase 5 complexed with Sildenafil(Viagra) | | 分子名称: | 5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-1-METHYL-3-PROPYL-1H,6H,7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE, MAGNESIUM ION, ZINC ION, ... | | 著者 | Sung, B.-J, Lee, J.I, Heo, Y.-S, Kim, J.H, Moon, J, Yoon, J.M, Hyun, Y.-L, Kim, E, Eum, S.J, Lee, T.G, Cho, J.M, Park, S.-Y, Lee, J.-O, Jeon, Y.H, Hwang, K.Y, Ro, S. | | 登録日 | 2003-05-06 | | 公開日 | 2004-05-11 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure of the catalytic domain of human phosphodiesterase 5 with bound drug molecules
Nature, 425, 2003
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8AT5
 | | native Coxsackievirus A9 | | 分子名称: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | | 著者 | Domanska, A, Plavec, Z, Ruokolainen, V, Marjomaki, V.S, Butcher, S.J. | | 登録日 | 2022-08-22 | | 公開日 | 2022-11-16 | | 最終更新日 | 2024-07-24 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Structural Studies Reveal that Endosomal Cations Promote Formation of Infectious Coxsackievirus A9 A-Particles, Facilitating RNA and VP4 Release.
J.Virol., 96, 2022
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1H23
 | | Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with (S,S)-(-)-bis(12)-hupyridone at 2.15A resolution | | 分子名称: | (S,S)-(-)-N,N'-DI-5'-[5',6',7',8'-TETRAHYDRO- 2'(1'H)-QUINOLYNYL]-1,12-DIAMINODODECANE DIHYDROCHLORIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE | | 著者 | Wong, D.M, Greenblatt, H.M, Carlier, P.R, Han, Y.F, Pang, Y.P, Silman, I, Sussman, J.L. | | 登録日 | 2002-07-30 | | 公開日 | 2002-12-23 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Acetylcholinesterase Complexed with Bivalent Ligands Related to Huperzine A: Experimental Evidence for Species-Dependent Protein-Ligand Complementarity
J.Am.Chem.Soc., 125, 2003
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1H87
 | | Gadolinium derivative of tetragonal Hen Egg-White Lysozyme at 1.7 A resolution | | 分子名称: | 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ... | | 著者 | Girard, E, Chantalat, L, Vicat, J, Kahn, R. | | 登録日 | 2001-01-25 | | 公開日 | 2002-01-15 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Gd-Hp-Do3A, a Complex to Obtain High-Phasing-Power Heavy Atom Derivatives for Sad and MAD Experiments. Results with Tetragonal Hen Egg-White Lysozyme
Acta Crystallogr.,Sect.D, 58, 2001
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1UDU
 | | Crystal structure of Human Phosphodiesterase 5 complexed with tadalafil(Cialis) | | 分子名称: | 6-BENZO[1,3]DIOXOL-5-YL-2-METHYL-2,3,6,7,12,12A-HEXAHYDRO-PYRAZINO[1',2':1,6]PYRIDO[3,4-B]INDOLE-1,4-DIONE, MAGNESIUM ION, ZINC ION, ... | | 著者 | Sung, B.-J, Lee, J.I, Heo, Y.-S, Kim, J.H, Moon, J, Yoon, J.M, Hyun, Y.-L, Kim, E, Eum, S.J, Lee, T.G, Cho, J.M, Park, S.-Y, Lee, J.-O, Jeon, Y.H, Hwang, K.Y, Ro, S. | | 登録日 | 2003-05-06 | | 公開日 | 2004-05-11 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | | 主引用文献 | Structure of the catalytic domain of human phosphodiesterase 5 with bound drug molecules
Nature, 425, 2003
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8A9O
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8A9N
 | | Structure of DpA polyamine acetyltransferase in complex with 1,3-DAP | | 分子名称: | 1,3-DIAMINOPROPANE, Acetyltransferase, COENZYME A, ... | | 著者 | Garcia-Pino, A, Jurenas, D. | | 登録日 | 2022-06-28 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.854 Å) | | 主引用文献 | A polyamine acetyltransferase regulates the motility and biofilm formation of Acinetobacter baumannii.
Nat Commun, 14, 2023
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