2KXT
 
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3AFG
 | | Crystal structure of ProN-Tk-SP from Thermococcus kodakaraensis | | 分子名称: | CALCIUM ION, Subtilisin-like serine protease | | 著者 | Foophow, T, Tanaka, S, Angkawidjaja, C, Koga, Y, Takano, K, Kanaya, S. | | 登録日 | 2010-03-01 | | 公開日 | 2010-08-04 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of a subtilisin homologue, Tk-SP, from Thermococcus kodakaraensis: requirement of a C-terminal beta-jelly roll domain for hyperstability.
J.Mol.Biol., 400, 2010
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8PI3
 | | Cathepsin S Y132D mutant in complex with NNPI-C10 inhibitor | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, CADMIUM ION, ... | | 著者 | Petruzzella, A, Lau, K, Pojer, F, Oricchio, E. | | 登録日 | 2023-06-21 | | 公開日 | 2024-06-05 | | 最終更新日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Antibody-peptide conjugates deliver covalent inhibitors blocking oncogenic cathepsins.
Nat.Chem.Biol., 2024
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6GEV
 | | Mineralocorticoid receptor in complex with (s)-13 | | 分子名称: | 6-[[(3~{S})-7-fluoranyl-3-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-4-yl]carbonyl]-4~{H}-1,4-benzoxazin-3-one, GLYCEROL, Mineralocorticoid receptor, ... | | 著者 | Edman, K, Aagaard, A, Tangefjord, S. | | 登録日 | 2018-04-27 | | 公開日 | 2019-01-09 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Identification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ Protection.
J.Med.Chem., 62, 2019
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3ALQ
 | | Crystal structure of TNF-TNFR2 complex | | 分子名称: | COBALT (II) ION, Tumor necrosis factor, Tumor necrosis factor receptor superfamily member 1B | | 著者 | Mukai, Y, Nakamura, T, Yamagata, Y, Tsutsumi, Y. | | 登録日 | 2010-08-06 | | 公開日 | 2010-11-17 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Solution of the Structure of the TNF-TNFR2 Complex
Sci.Signal., 3, 2010
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1YGC
 | | Short Factor VIIa with a small molecule inhibitor | | 分子名称: | (R)-4-[2-(3-AMINO-BENZENESULFONYLAMINO)-1-(3,5-DIETHOXY-2-FLUOROPHENYL)-2-OXO-ETHYLAMINO]-2-HYDROXY-BENZAMIDINE, CALCIUM ION, Coagulation factor VII, ... | | 著者 | Olivero, A.G, Eigenbrot, C, Goldsmith, R, Robarge, K, Artis, D.R, Flygare, J, Rawson, T, Refino, C, Bunting, S, Kirchhofer, D. | | 登録日 | 2005-01-04 | | 公開日 | 2005-01-18 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A selective, slow binding inhibitor of factor VIIa binds to a nonstandard active site conformation and attenuates thrombus formation in vivo.
J.Biol.Chem., 280, 2005
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3ANV
 | | Crystal structure of D-serine dehydratase from chicken kidney (2,3-DAP complex) | | 分子名称: | 3-amino-D-alanine, CHLORIDE ION, D-serine dehydratase, ... | | 著者 | Tanaka, H, Senda, M, Venugopalan, N, Yamamoto, A, Senda, T, Ishida, T, Horiike, K. | | 登録日 | 2010-09-09 | | 公開日 | 2011-06-15 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Crystal structure of a zinc-dependent D-serine dehydratase from chicken kidney
J.Biol.Chem., 286, 2011
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8OUO
 | | Human TPC2 in Complex with Antagonist (S)-SG-094 | | 分子名称: | (1S)-6-methoxy-2-methyl-7-phenoxy-1-[(4-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline, 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... | | 著者 | Chi, G, Pike, A.C.W, Maclean, E.M, Li, H, Mukhopadhyay, S.M.M, Bohstedt, T, Wang, D, McKinley, G, Fernandez-Cid, A, Duerr, K. | | 登録日 | 2023-04-24 | | 公開日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structural basis for inhibition of the lysosomal two-pore channel TPC2 by a small molecule antagonist.
Structure, 2024
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3BJZ
 | | Crystal structure of Pseudomonas aeruginosa phosphoheptose isomerase | | 分子名称: | CHLORIDE ION, Phosphoheptose isomerase, SULFATE ION | | 著者 | Walker, J.R, Evdokimova, E, Kudritska, M, Osipiuk, J, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2007-12-05 | | 公開日 | 2007-12-18 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure and Function of Sedoheptulose-7-phosphate Isomerase, a Critical Enzyme for Lipopolysaccharide Biosynthesis and a Target for Antibiotic Adjuvants.
J.Biol.Chem., 283, 2008
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4RSC
 | | Crystal structure of RPE65 in complex with emixustat and palmitate | | 分子名称: | (1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol, FE (II) ION, PALMITIC ACID, ... | | 著者 | Kiser, P.D, Shi, W, Palczewski, K. | | 登録日 | 2014-11-07 | | 公開日 | 2015-04-15 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Catalytic mechanism of a retinoid isomerase essential for vertebrate vision.
Nat.Chem.Biol., 11, 2015
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1YHJ
 | | Crystal Structure of Pyridoxal Kinase in Complex with Roscovitine and Derivatives | | 分子名称: | (2R)-2-{[6-(BENZYLOXY)-9-ISOPROPYL-9H-PURIN-2-YL]AMINO}BUTAN-1-OL, Pyridoxal Kinase | | 著者 | Tang, L, Li, M.-H, Cao, P, Wang, F, Chang, W.-R, Bach, S, Reinhardt, J, Ferandin, Y, Koken, M, Galons, H, Wan, Y, Gray, N, Meijer, L, Jiang, T, Liang, D.-C. | | 登録日 | 2005-01-09 | | 公開日 | 2005-07-05 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystal structure of pyridoxal kinase in complex with roscovitine and derivatives.
J.Biol.Chem., 280, 2005
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1YIN
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3BMQ
 | | Structure of Pteridine Reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor (Compound AX5) | | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6-(benzylsulfanyl)pyrimidine-2,4-diamine, ACETATE ION, ... | | 著者 | Martini, V.P, Iulek, J, Hunter, W.N. | | 登録日 | 2007-12-13 | | 公開日 | 2008-12-16 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
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3IA4
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4TWB
 | | Sulfolobus solfataricus ribose-phosphate pyrophosphokinase | | 分子名称: | ADENOSINE MONOPHOSPHATE, Ribose-phosphate pyrophosphokinase, SULFATE ION | | 著者 | Kadziola, A. | | 登録日 | 2014-06-30 | | 公開日 | 2014-07-30 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.802 Å) | | 主引用文献 | Structure of dimeric, recombinant Sulfolobus solfataricus phosphoribosyl diphosphate synthase: a bent dimer defining the adenine specificity of the substrate ATP.
Extremophiles, 19, 2015
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1Y4E
 | | NMR structure of transmembrane segment IV of the NHE1 isoform of the Na+/H+ exchanger | | 分子名称: | Sodium/hydrogen exchanger 1 | | 著者 | Slepkov, E.R, Rainey, J.K, Li, X, Liu, Y, Lindhout, D.A, Sykes, B.D, Fliegel, L. | | 登録日 | 2004-11-30 | | 公開日 | 2005-02-01 | | 最終更新日 | 2022-03-02 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural and functional characterization of transmembrane segment IV of the NHE1 isoform of the Na+/H+ exchanger.
J.Biol.Chem., 280, 2005
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4TXN
 | | Crystal structure of uridine phosphorylase from Schistosoma mansoni in complex with 5-fluorouracil | | 分子名称: | 5-FLUOROURACIL, SULFATE ION, Uridine phosphorylase | | 著者 | Marinho, A, Torini, J, Romanello, L, Cassago, A, DeMarco, R, Brandao-Neto, J, Pereira, H.M. | | 登録日 | 2014-07-03 | | 公開日 | 2015-10-14 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Analysis of two Schistosoma mansoni uridine phosphorylases isoforms suggests the emergence of a protein with a non-canonical function.
Biochimie, 125, 2016
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8FY8
 | | 5-MeO-DMT-bound serotonin 1A (5-HT1A) receptor-Gi1 protein complex | | 分子名称: | 2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethan-1-amine, CHOLESTEROL HEMISUCCINATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Warren, A.L, Zilberg, G, Capper, M.J, Wacker, D. | | 登録日 | 2023-01-25 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (2.79 Å) | | 主引用文献 | Structural pharmacology and therapeutic potential of 5-methoxytryptamines.
Nature, 630, 2024
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2H40
 | | Crystal structure of the catalytic domain of unliganded PDE5 | | 分子名称: | MAGNESIUM ION, ZINC ION, cGMP-specific 3',5'-cyclic phosphodiesterase | | 著者 | Wang, H, Liu, Y, Huai, Q, Cai, J, Zoraghi, R, Francis, S.H, Corbin, J.D, Robinson, H, Xin, Z, Lin, G, Ke, H. | | 登録日 | 2006-05-23 | | 公開日 | 2006-06-06 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Multiple Conformations of Phosphodiesterase-5: Implications for enzyme function and drug development
J.Biol.Chem., 281, 2006
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8G3C
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4TWT
 | | Human TNFa dimer in complex with the semi-synthetic bicyclic peptide M21 | | 分子名称: | (2,4,6-trimethylbenzene-1,3,5-triyl)trimethanol, ALA-CYS-PRO-PRO-CYS-LEU-TRP-GLN-VAL-LEU-CYS-GLY, GLYCEROL, ... | | 著者 | Luzi, S, Kondo, Y, Bernard, E, Stadler, L, Winter, G, Holliger, P. | | 登録日 | 2014-07-01 | | 公開日 | 2015-02-04 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Subunit disassembly and inhibition of TNF alpha by a semi-synthetic bicyclic peptide.
Protein Eng.Des.Sel., 28, 2015
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4TXH
 | | Crystal structure of uridine phosphorylase from Schistosoma mansoni in APO form | | 分子名称: | SULFATE ION, Uridine phosphorylase | | 著者 | Torini, J, Romanello, L, Marinho, A, Brandao-Neto, J, Cassago, A, DeMarco, R, Pereira, H.M. | | 登録日 | 2014-07-03 | | 公開日 | 2015-10-14 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.892 Å) | | 主引用文献 | Analysis of two Schistosoma mansoni uridine phosphorylases isoforms suggests the emergence of a protein with a non-canonical function.
Biochimie, 125, 2016
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8G3E
 | | Crystal structure of human WDR5 in complex with (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide (compound 2, WDR5-MYC inhibitor) | | 分子名称: | (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide, WD repeat-containing protein 5 | | 著者 | Zhao, M. | | 登録日 | 2023-02-07 | | 公開日 | 2023-06-28 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | Discovery and Structure-Based Design of Inhibitors of the WD Repeat-Containing Protein 5 (WDR5)-MYC Interaction.
J.Med.Chem., 66, 2023
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1ZS0
 | | Crystal structure of the complex between MMP-8 and a phosphonate inhibitor (S-enantiomer) | | 分子名称: | (1S)-1-{[(4'-METHOXY-1,1'-BIPHENYL-4-YL)SULFONYL]AMINO}-2-METHYLPROPYLPHOSPHONIC ACID, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | 著者 | Pochetti, G, Gavuzzo, E, Campestre, C, Agamennone, M, Tortorella, P, Consalvi, V, Gallina, C, Hiller, O, Tschesche, H, Tucker, P.A, Mazza, F. | | 登録日 | 2005-05-23 | | 公開日 | 2006-05-02 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Structural insight into the stereoselective inhibition of MMP-8 by enantiomeric sulfonamide phosphonates.
J.Med.Chem., 49, 2006
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6DAI
 | | Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design | | 分子名称: | 6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methylindoline, DIMETHYL SULFOXIDE, WD repeat-containing protein 5 | | 著者 | Phan, J, Fesik, S.W. | | 登録日 | 2018-05-01 | | 公開日 | 2018-09-05 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J. Med. Chem., 61, 2018
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