7AAJ
 
 | | Human porphobilinogen deaminase in complex with cofactor | | 分子名称: | 3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid, GLYCEROL, Porphobilinogen deaminase | | 著者 | Kallio, J.P, Bustad, H.J, Martinez, A. | | 登録日 | 2020-09-04 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Characterization of porphobilinogen deaminase mutants reveals that arginine-173 is crucial for polypyrrole elongation mechanism.
Iscience, 24, 2021
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7AAK
 | | Human porphobilinogen deaminase R173W mutant crystallized in the ES2 intermediate state | | 分子名称: | 3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-1~{H}-pyrrol-3-yl]propanoic acid, GLYCEROL, Porphobilinogen deaminase | | 著者 | Kallio, J.P, Bustad, H.J, Martinez, A. | | 登録日 | 2020-09-04 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Characterization of porphobilinogen deaminase mutants reveals that arginine-173 is crucial for polypyrrole elongation mechanism.
Iscience, 24, 2021
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7V6H
 | | Crystal Structure of the SpnL | | 分子名称: | Cyclopropane fatty-acyl-phospholipid synthase-like methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | 著者 | Wu, H.-H, Ko, T.-P, Liu, H.-W, Tsai, M.-D. | | 登録日 | 2021-08-20 | | 公開日 | 2021-12-29 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (3.054 Å) | | 主引用文献 | Evidence for an Enzyme-Catalyzed Rauhut-Currier Reaction during the Biosynthesis of Spinosyn A.
J.Am.Chem.Soc., 143, 2021
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3CLB
 | | Structure of bifunctional TcDHFR-TS in complex with TMQ | | 分子名称: | 1,2-ETHANEDIOL, DHFR-TS, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Schormann, N, Senkovich, O, Chattopadhyay, D. | | 登録日 | 2008-03-18 | | 公開日 | 2009-01-06 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structure-based approach to pharmacophore identification, in silico screening, and three-dimensional quantitative structure-activity relationship studies for inhibitors of Trypanosoma cruzi dihydrofolate reductase function.
Proteins, 73, 2008
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9EV5
 | | Corynebacterium glutamicum CS176 pyruvate:quinone oxidoreductase (PQO) in complex with FAD and thiamine diphosphate-magnesium ion | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, THIAMINE DIPHOSPHATE, ... | | 著者 | Da Silva Lameira, C, Muenssinger, S, Yang, L, Eikmanns, B.J, Bellinzoni, M. | | 登録日 | 2024-03-28 | | 公開日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.863 Å) | | 主引用文献 | Corynebacterium glutamicum pyruvate:quinone oxidoreductase: an enigmatic metabolic enzyme with unusual structural features.
Febs J., 2024
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7JXT
 | | Ovine COX-1 in complex with the subtype-selective derivative 2a | | 分子名称: | 2-[4,5-bis(2-chlorophenyl)-1H-imidazol-2-yl]-6-(prop-2-en-1-yl)phenyl methoxyacetate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Ko, Y, Iaselli, M, Miciaccia, M, Friedrich, L, Schneider, G, Scilimati, A, Cingolani, G. | | 登録日 | 2020-08-27 | | 公開日 | 2021-09-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.35 Å) | | 主引用文献 | Learning from Nature: From a Marine Natural Product to Synthetic Cyclooxygenase-1 Inhibitors by Automated De Novo Design.
Adv Sci, 8, 2021
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5LNS
 | | Crystal structure of Arabidopsis thaliana Pdx1-R5P complex | | 分子名称: | PHOSPHATE ION, Pyridoxal 5'-phosphate synthase subunit PDX1.3, RIBULOSE-5-PHOSPHATE | | 著者 | Rodrigues, M.J, Windeisen, V, Zhang, Y, Guedez, G, Weber, S, Strohmeier, M, Hanes, J.W, Royant, A, Evans, G, Sinning, I, Ealick, S.E, Begley, T.P, Tews, I. | | 登録日 | 2016-08-06 | | 公開日 | 2017-01-18 | | 最終更新日 | 2017-02-22 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Lysine relay mechanism coordinates intermediate transfer in vitamin B6 biosynthesis.
Nat. Chem. Biol., 13, 2017
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3MO7
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6VL1
 | | Crystal Structure of the N-prenyltransferase DabA in Complex with NGG and Mg2+ | | 分子名称: | DabA, MAGNESIUM ION, N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-L-glutamic acid | | 著者 | Chekan, J.R, Noel, J.P, Moore, B.S. | | 登録日 | 2020-01-22 | | 公開日 | 2020-04-08 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Algal neurotoxin biosynthesis repurposes the terpene cyclase structural fold into anN-prenyltransferase.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6VKZ
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7AG4
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6UEL
 | | CPS1 bound to allosteric inhibitor H3B-193 | | 分子名称: | Carbamoyl-phosphate synthase [ammonia], mitochondrial, N~1~-[(4-fluorophenyl)methyl]-N~1~-methyl-N~4~-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide, ... | | 著者 | Larsen, N.A, Nguyen, T.V. | | 登録日 | 2019-09-21 | | 公開日 | 2020-03-18 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Small Molecule Inhibition of CPS1 Activity through an Allosteric Pocket.
Cell Chem Biol, 27, 2020
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6S26
 | | Crystal structure of human wild type STING in complex with 2'-3'-cyclic-GMP-7-deaza-AMP | | 分子名称: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one, Stimulator of interferon protein | | 著者 | Boura, E, Smola, M, Brynda, J. | | 登録日 | 2019-06-20 | | 公開日 | 2019-11-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Enzymatic Preparation of 2'-5',3'-5'-Cyclic Dinucleotides, Their Binding Properties to Stimulator of Interferon Genes Adaptor Protein, and Structure/Activity Correlations.
J.Med.Chem., 62, 2019
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1R5Z
 | | Crystal Structure of Subunit C of V-ATPase | | 分子名称: | V-type ATP synthase subunit C | | 著者 | Iwata, M, Imamura, H, Stambouli, E, Ikeda, C, Tamakoshi, M, Nagata, K, Makyio, H, Hankamer, B, Barber, J, Yoshida, M, Yokoyama, K, Iwata, S. | | 登録日 | 2003-10-14 | | 公開日 | 2004-01-13 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Crystal structure of a central stalk subunit C and reversible association/dissociation of vacuole-type ATPase.
Proc.Natl.Acad.Sci.Usa, 101, 2004
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1NMM
 | | beta-1,4-galactosyltransferase mutant Cys342Thr complex with alpha-lactalbumin and GlcNAc | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-LACTALBUMIN, BETA-1,4-GALACTOSYLTRANSFERASE, ... | | 著者 | Ramakrishnan, B, Shah, P.S, Qasba, P.K. | | 登録日 | 2003-01-10 | | 公開日 | 2003-01-21 | | 最終更新日 | 2021-10-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | alpha-Lactalbumin (LA) stimulates milk beta-1,4-galactosyltransferase I (beta 4Gal-T1) to transfer glucose from UDP-glucose to N-acetylglucosamine. Crystal structure of beta 4Gal-T1 x LA complex with UDP-Glc.
J.Biol.Chem., 276, 2001
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2C2W
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8J6N
 | | Crystal structure of Cystathionine gamma-lyase in complex with compound 1 | | 分子名称: | 1,2-ETHANEDIOL, Cystathionine gamma-lyase, GLYCEROL, ... | | 著者 | Hibi, R, Toma-Fukai, S, Shimizu, T, Hanaoka, K. | | 登録日 | 2023-04-26 | | 公開日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of a cystathionine gamma-lyase (CSE) selective inhibitor targeting active-site pyridoxal 5'-phosphate (PLP) via Schiff base formation.
Sci Rep, 13, 2023
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6FQB
 | | MurT/GatD peptidoglycan amidotransferase complex from Streptococcus pneumoniae R6 | | 分子名称: | Cobyric acid synthase, GLUTAMINE, Mur ligase family protein | | 著者 | Morlot, C, Contreras-Martel, C, Leisico, F, Straume, D, Peters, K, Hegnar, O.A, Simon, N, Villard, A.M, Breukink, E, Gravier-Pelletier, C, Le Corre, L, Vollmer, W, Pietrancosta, N, Havarstein, L.S, Zapun, A. | | 登録日 | 2018-02-13 | | 公開日 | 2018-08-22 | | 最終更新日 | 2018-11-07 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structure of the essential peptidoglycan amidotransferase MurT/GatD complex from Streptococcus pneumoniae.
Nat Commun, 9, 2018
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2RAA
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5DOT
 | | Crystal Structure of Human Carbamoyl phosphate synthetase I (CPS1), apo form | | 分子名称: | 1,2-ETHANEDIOL, Carbamoyl-phosphate synthase [ammonia], mitochondrial, ... | | 著者 | Polo, L.M, de Cima, S, Fita, I, Rubio, V. | | 登録日 | 2015-09-11 | | 公開日 | 2015-12-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure of human carbamoyl phosphate synthetase: deciphering the on/off switch of human ureagenesis.
Sci Rep, 5, 2015
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4CL6
 | | Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa in complex with N-(4- Chlorobenzyl)-3-(2-furyl)-1H-1,2,4-triazol-5-amine | | 分子名称: | 3-HYDROXYDECANOYL-[ACYL-CARRIER-PROTEIN] DEHYDRATASE, N-(4-chlorobenzyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine | | 著者 | Moynie, L, McMahon, S.A, Duthie, F.G, Naismith, J.H. | | 登録日 | 2014-01-13 | | 公開日 | 2015-01-21 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | A Substrate Mimic Allows High Throughput Assay of the Faba Protein and Consequently the Identification of a Novel Inhibitor of Pseudomonas Aeruginosa Faba.
J.Mol.Biol., 428, 2016
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2CI5
 | | Crystal structure of Dimethylarginine Dimethylaminohydrolase I in complex with L-homocysteine | | 分子名称: | 2-AMINO-4-MERCAPTO-BUTYRIC ACID, CITRIC ACID, NG, ... | | 著者 | Frey, D, Braun, O, Briand, C, Vasak, M, Grutter, M.G. | | 登録日 | 2006-03-17 | | 公開日 | 2006-05-17 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Structure of the Mammalian Nos Regulator Dimethylarginine Dimethylaminohydrolase: A Basis for the Design of Specific Inbitors
Structure, 14, 2006
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2OYU
 | | Indomethacin-(S)-alpha-ethyl-ethanolamide bound to Cyclooxygenase-1 | | 分子名称: | 2-[1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-1H-INDOL-3-YL]-N-[(1S)-1-(HYDROXYMETHYL)PROPYL]ACETAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Harman, C.A, Garavito, R.M. | | 登録日 | 2007-02-23 | | 公開日 | 2007-07-24 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural basis of enantioselective inhibition of cyclooxygenase-1 by S-alpha-substituted indomethacin ethanolamides.
J.Biol.Chem., 282, 2007
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7X4Q
 | | LpCdnE UTP Mg complex | | 分子名称: | Cyclic dipyrimidine nucleotide synthase, MAGNESIUM ION, URIDINE 5'-TRIPHOSPHATE | | 著者 | Chen, Y, Ko, T.P, Yang, C.S, Wang, Y.C, Hou, M.H. | | 登録日 | 2022-03-03 | | 公開日 | 2023-03-08 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Crystal structure and functional implications of cyclic di-pyrimidine-synthesizing cGAS/DncV-like nucleotidyltransferases.
Nat Commun, 14, 2023
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6E59
 | | Crystal structure of the human NK1 tachykinin receptor | | 分子名称: | 1-(4-{[(2R,3S)-2-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-1H-1,2,3-triazol-5-yl)-N,N-dimethylmethanamine, Substance-P receptor, GlgA glycogen synthase, ... | | 著者 | Yin, J, Clark, L, Chapman, K, Shao, Z, Borek, D, Xu, Q, Wang, J, Rosenbaum, D.M. | | 登録日 | 2018-07-19 | | 公開日 | 2018-12-12 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Crystal structure of the human NK1tachykinin receptor.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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