2VE1
 
 | | Isopenicillin N synthase with substrate analogue AsMCOV (oxygen exposed 1min 20bar) | | 分子名称: | FE (II) ION, ISOPENICILLIN N SYNTHETASE, N^6^-[(1R,2S)-1-({[(1R)-1-carboxy-2-methylpropyl]oxy}carbonyl)-2-sulfanylpropyl]-6-oxo-L-lysine, ... | | 著者 | Ge, W, Clifton, I.J, Adlington, R.M, Baldwin, J.E, Rutledge, P.J. | | 登録日 | 2007-10-15 | | 公開日 | 2008-11-04 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural Studies on the Reaction of Isopenicillin N Synthase with a Sterically Demanding Depsipeptide Substrate Analogue.
Chembiochem, 10, 2009
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2FJL
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2PDH
 | | Human aldose reductase mutant L300P complexed with uracil-type inhibitor at 1.45 A. | | 分子名称: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {3-[(5-CHLORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL}ACETIC ACID | | 著者 | Steuber, H, Heine, A, Klebe, G. | | 登録日 | 2007-03-31 | | 公開日 | 2008-04-01 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
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4IS0
 | | Structural Insights into Omega-Class Glutathione Transferases: A Snapshot of Enzyme Reduction and Identification of the Non-Catalytic Ligandin Site. | | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Glutathione S-transferase omega-1, L-gamma-glutamyl-S-[2-(4-nitrophenyl)-2-oxoethyl]-L-cysteinylglycine, ... | | 著者 | Brock, J, Oakley, A.J. | | 登録日 | 2013-01-15 | | 公開日 | 2013-04-24 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.721 Å) | | 主引用文献 | Structural insights into omega-class glutathione transferases: a snapshot of enzyme reduction and identification of a non-catalytic ligandin site.
Plos One, 8, 2013
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4N6H
 | | 1.8 A Structure of the human delta opioid 7TM receptor (PSI Community Target) | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol, L(+)-TARTARIC ACID, ... | | 著者 | Fenalti, G, Giguere, P.M, Katritch, V, Huang, X.-P, Thompson, A.A, Han, G.W, Cherezov, V, Roth, B.L, Stevens, R.C, GPCR Network (GPCR) | | 登録日 | 2013-10-12 | | 公開日 | 2013-12-25 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Molecular control of delta-opioid receptor signalling.
Nature, 506, 2014
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2PPD
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5GR4
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3O0K
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3FQ0
 | | Staphylococcus aureus dihydrofolate reductase complexed with NADPH and 2,4-diamino-5-(3-(2,5-dimethoxyphenyl)prop-1-ynyl)-6-ethylpyrimidine (UCP120B) | | 分子名称: | 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Trimethoprim-sensitive dihydrofolate reductase | | 著者 | Anderson, A.C, Frey, K.M, Liu, J, Lombardo, M.N. | | 登録日 | 2009-01-06 | | 公開日 | 2009-03-24 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Crystal structures of wild-type and mutant methicillin-resistant Staphylococcus aureus dihydrofolate reductase reveal an alternate conformation of NADPH that may be linked to trimethoprim resistance.
J.Mol.Biol., 387, 2009
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1T2C
 | | Plasmodium falciparum lactate dehydrogenase complexed with NADH | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, L-lactate dehydrogenase | | 著者 | Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G. | | 登録日 | 2004-04-21 | | 公開日 | 2004-05-11 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity.
J.Biol.Chem., 279, 2004
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2PPE
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3V9I
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7JGN
 | | Crystal Structure of the Zn-bound Human Heavy-chain variant 122H-delta C-star with meta-benzenedihyrdoxamate collected at 100K | | 分子名称: | Ferritin heavy chain, N~1~,N~3~-dihydroxybenzene-1,3-dicarboxamide, SODIUM ION, ... | | 著者 | Bailey, J.B, Tezcan, F.A. | | 登録日 | 2020-07-19 | | 公開日 | 2020-10-14 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Tunable and Cooperative Thermomechanical Properties of Protein-Metal-Organic Frameworks.
J.Am.Chem.Soc., 142, 2020
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5EIY
 | | Bacterial cellulose synthase bound to a substrate analogue | | 分子名称: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), DIUNDECYL PHOSPHATIDYL CHOLINE, LAURYL DIMETHYLAMINE-N-OXIDE, ... | | 著者 | McNamara, J.T, Zimmer, J. | | 登録日 | 2015-10-30 | | 公開日 | 2016-03-09 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Observing cellulose biosynthesis and membrane translocation in crystallo.
Nature, 531, 2016
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2F2K
 | | Aldose reductase tertiary complex with NADPH and DEG | | 分子名称: | Aldose reductase, GAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Singh, R, White, M.A, Ramana, K.V, Petrash, J.M, Watowich, S.J, Bhatnagar, A, Srivastava, S.K. | | 登録日 | 2005-11-17 | | 公開日 | 2006-05-16 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Structure of a glutathione conjugate bound to the active site of aldose reductase.
Proteins, 64, 2006
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3FL8
 | | Crystal structure of B. anthracis dihydrofolate reductase (DHFR) with RAB1, a TMP-dihydrophthalazine derivative | | 分子名称: | 5-(3,4-dimethoxy-5-{(1E)-3-oxo-3-[(1S)-1-propylphthalazin-2(1H)-yl]prop-1-en-1-yl}benzyl)pyrimidine-2,4-diamine, CALCIUM ION, Dihydrofolate reductase | | 著者 | Bourne, C.R, Barrow, W.W. | | 登録日 | 2008-12-18 | | 公開日 | 2009-04-28 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.2881 Å) | | 主引用文献 | Crystal structure of Bacillus anthracis dihydrofolate reductase with the dihydrophthalazine-based trimethoprim derivative RAB1 provides a structural explanation of potency and selectivity.
Antimicrob.Agents Chemother., 53, 2009
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5VU0
 | | Crystal structure of the complex between afucosylated/galactosylated human IgG1 Fc and Fc gamma receptor IIIa (CD16A) with Man5 N-glycans | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Subedi, G.S, Marcella, A.M, Barb, A.W. | | 登録日 | 2017-05-18 | | 公開日 | 2018-05-23 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Antibody Fucosylation Lowers the Fc gamma RIIIa/CD16a Affinity by Limiting the Conformations Sampled by the N162-Glycan.
ACS Chem. Biol., 13, 2018
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3SFE
 | | crystal structure of porcine mitochondrial respiratory complex II bound with oxaloacetate and thiabendazole | | 分子名称: | 2-(1,3-THIAZOL-4-YL)-1H-BENZIMIDAZOLE, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | | 著者 | Zhou, Q.J, Zhai, Y.J, Liu, M, Sun, F. | | 登録日 | 2011-06-13 | | 公開日 | 2011-09-07 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Thiabendazole inhibits ubiquinone reduction activity of mitochondrial respiratory complex II via a water molecule mediated binding feature.
Protein Cell, 2, 2011
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1GCO
 | | CRYSTAL STRUCTURE OF GLUCOSE DEHYDROGENASE COMPLEXED WITH NAD+ | | 分子名称: | GLUCOSE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Yamamoto, K, Kurisu, G, Kusunoki, M, Tabata, S, Urabe, I, Osaki, S. | | 登録日 | 2000-08-07 | | 公開日 | 2001-02-28 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal structure of glucose dehydrogenase from Bacillus megaterium IWG3 at 1.7 A resolution.
J.Biochem., 129, 2001
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1FX2
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5R8I
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3FQV
 | | Staphylococcus aureus F98Y mutant dihydrofolate reductase complexed with NADPH and 2,4-diamino-5-[3-(3-methoxy-4-phenylphenyl)but-1-ynyl]-6-methylpyrimidine | | 分子名称: | 5-[(3S)-3-(2-methoxybiphenyl-4-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Trimethoprim-sensitive dihydrofolate reductase | | 著者 | Anderson, A.C, Frey, K.M, Liu, J, Lombardo, M.N. | | 登録日 | 2009-01-07 | | 公開日 | 2009-03-24 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Crystal structures of wild-type and mutant methicillin-resistant Staphylococcus aureus dihydrofolate reductase reveal an alternate conformation of NADPH that may be linked to trimethoprim resistance.
J.Mol.Biol., 387, 2009
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4B7E
 | | FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH CONSENSUS ANKYRIN REPEAT DOMAIN-LEU PEPTIDE (20-MER) | | 分子名称: | CONSENSUS ANKYRIN REPEAT DOMAIN-LEU, GLYCEROL, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, ... | | 著者 | Chowdhury, R, Ge, W, Schofield, C.J. | | 登録日 | 2012-08-17 | | 公開日 | 2013-01-23 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Substrate selectivity analyses of factor inhibiting hypoxia-inducible factor.
Angew. Chem. Int. Ed. Engl., 52, 2013
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5UP7
 | | Crystal Structure of the Ni-bound Human Heavy-Chain Ferritin 122H-delta C-star variant | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Bailey, J.B, Zhang, L, Chiong, J.A, Ahn, S, Tezcan, F.A. | | 登録日 | 2017-02-01 | | 公開日 | 2017-06-21 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Synthetic Modularity of Protein-Metal-Organic Frameworks.
J. Am. Chem. Soc., 139, 2017
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3CCT
 | | Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors | | 分子名称: | (3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-5-(1-methylethyl)-3-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase | | 著者 | Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C. | | 登録日 | 2008-02-26 | | 公開日 | 2008-06-17 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase.
J.Med.Chem., 51, 2008
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