3LDW
 
 | | Crystal Structure of Plasmodium vivax geranylgeranylpyrophosphate synthase PVX_092040 with zoledronate and IPP bound | | 分子名称: | 1,2-ETHANEDIOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, ... | | 著者 | Wernimont, A.K, Lew, J, Zhao, Y, Kozieradzki, I, Cossar, D, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC) | | 登録日 | 2010-01-13 | | 公開日 | 2010-11-17 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | | 主引用文献 | Molecular characterization of a novel geranylgeranyl pyrophosphate synthase from Plasmodium parasites.
J.Biol.Chem., 286, 2011
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7S3G
 | | Structure of cofactor pyridoxal 5-phosphate bound human ornithine decarboxylase in complex with citrate at the catalytic center | | 分子名称: | CITRIC ACID, Ornithine decarboxylase, PYRIDOXAL-5'-PHOSPHATE | | 著者 | Zhou, X.E, Suino-Powell, K, Schultz, C.R, Aleiwi, B, Brunzelle, J.S, Lamp, J, Vega, I.E, Ellsworth, E, Bachmann, A.S, Melcher, K. | | 登録日 | 2021-09-06 | | 公開日 | 2021-12-15 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Structural basis of binding and inhibition of ornithine decarboxylase by 1-amino-oxy-3-aminopropane.
Biochem.J., 478, 2021
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7D5A
 | | Crystal Structure of BACE1 in complex with N-{3-[(9S)-7-amino-2,2-difluoro-9-(prop-1-yn-1-yl)-6-oxa-8-azaspiro[3.5]non-7-en-9-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide | | 分子名称: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | | 著者 | Fujimoto, K, Yoshida, S, Tadano, G, Asada, N, Fuchino, K, Suzuki, S, Matsuoka, E, Yamamoto, T, Yamamoto, S, Ando, S, Kanegawa, N, Tonomura, Y, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I. | | 登録日 | 2020-09-25 | | 公開日 | 2021-03-31 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective beta-Secretase (BACE1) Inhibitors over BACE2.
J.Med.Chem., 64, 2021
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7ADI
 | | KirBac3.1 W46R: role of a highly conserved tryptophan at the membrane-water interface of Kir channel | | 分子名称: | Inward rectifier potassium channel Kirbac3.1, MAGNESIUM ION, POTASSIUM ION | | 著者 | Venien-Bryan, C, Fagnen, C, De Zorzi, R, Bannwarth, L, Oubella, I, Haouz, A. | | 登録日 | 2020-09-15 | | 公開日 | 2022-01-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Integrative Study of the Structural and Dynamical Properties of a KirBac3.1 Mutant: Functional Implication of a Highly Conserved Tryptophan in the Transmembrane Domain.
Int J Mol Sci, 23, 2021
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7D2X
 | | Crystal Structure of BACE1 in complex with N-{3-[(4R)-2-amino-4-(prop-1-yn-1-yl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide | | 分子名称: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | | 著者 | Fujimoto, K, Yoshida, S, Tadano, G, Asada, N, Fuchino, K, Suzuki, S, Matsuoka, E, Yamamoto, T, Yamamoto, S, Ando, S, Kanegawa, N, Tonomura, Y, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I. | | 登録日 | 2020-09-17 | | 公開日 | 2021-03-31 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective beta-Secretase (BACE1) Inhibitors over BACE2.
J.Med.Chem., 64, 2021
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2WA3
 | | FACTOR INHIBITING HIF-1 ALPHA WITH 2-(3-hydroxyphenyl)-2-oxoacetic acid | | 分子名称: | 2-(3-HYDROXYPHENYL)-2-OXO-ETHANOIC ACID, FE (II) ION, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR | | 著者 | Conejo-Garcia, A, Lienard, B.M.R, Clifton, I.J, McDonough, M.A, Schofield, C.J. | | 登録日 | 2009-02-02 | | 公開日 | 2010-04-21 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural basis for binding of cyclic 2-oxoglutarate analogues to factor-inhibiting hypoxia-inducible factor.
Bioorg. Med. Chem. Lett., 20, 2010
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7D2V
 | | Crystal Structure of BACE1 in complex with N-{3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-5,6-dihydro-2H-1lambda6,2,4-thiadiazin-5-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide | | 分子名称: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | | 著者 | Fujimoto, K, Yoshida, S, Tadano, G, Asada, N, Fuchino, K, Suzuki, S, Matsuoka, E, Yamamoto, T, Yamamoto, S, Ando, S, Kanegawa, N, Tonomura, Y, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I. | | 登録日 | 2020-09-17 | | 公開日 | 2021-03-31 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective beta-Secretase (BACE1) Inhibitors over BACE2.
J.Med.Chem., 64, 2021
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3LT5
 | | X-ray Crystallographic structure of a Pseudomonas Aeruginosa Azoreductase in complex with balsalazide | | 分子名称: | (3E)-3-({4-[(2-carboxyethyl)carbamoyl]phenyl}hydrazono)-6-oxocyclohexa-1,4-diene-1-carboxylic acid, FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase 1, ... | | 著者 | Ryan, A, Laurieri, N, Westwood, I, Wang, C.-J, Lowe, E, Sim, E. | | 登録日 | 2010-02-15 | | 公開日 | 2010-05-12 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | A Novel Mechanism for Azoreduction
J.Mol.Biol., 400, 2010
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3QHZ
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5AE1
 | | Ether Lipid-Generating Enzyme AGPS in complex with inhibitor ZINC69435460 | | 分子名称: | (3-(2-FLUOROPHENYL)-N-(1-(2-OXO-2,3-DIHYDRO-1H-BENZO[D]IMIDAZOL-5-YL)ETHYL)BUTANAMIDE), ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, PEROXISOMAL, ... | | 著者 | Piano, V, Benjamin, D.I, Valente, S, Nenci, S, Marrocco, B, Mai, A, Aliverti, A, Nomura, D.K, Mattevi, A. | | 登録日 | 2015-08-25 | | 公開日 | 2015-09-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Discovery of Inhibitors for the Ether Lipid-Generating Enzyme Agps as Anti-Cancer Agents.
Acs Chem.Biol., 10, 2015
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5EHB
 | | A de novo designed hexameric coiled-coil peptide with iodotyrosine | | 分子名称: | pHiosYI | | 著者 | Lizatovic, R, Aurelius, O, Stenstrom, O, Drakenberg, T, Akke, M, Logan, D.T, Andre, I. | | 登録日 | 2015-10-28 | | 公開日 | 2016-06-15 | | 最終更新日 | 2018-01-17 | | 実験手法 | X-RAY DIFFRACTION (3.19 Å) | | 主引用文献 | A De Novo Designed Coiled-Coil Peptide with a Reversible pH-Induced Oligomerization Switch.
Structure, 24, 2016
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7A64
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5A0R
 | | Product peptide-bound structure of metalloprotease Zmp1 variant E143A from Clostridium difficile | | 分子名称: | GLYCEROL, PRODUCT PEPTIDE, ZINC ION, ... | | 著者 | Schacherl, M, Pichlo, C, Neundorf, I, Baumann, U. | | 登録日 | 2015-04-22 | | 公開日 | 2015-08-05 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.251 Å) | | 主引用文献 | Structural Basis of Proline-Proline Peptide Bond Specificity of the Metalloprotease Zmp1 Implicated in Motility of Clostridium Difficile.
Structure, 23, 2015
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7SE7
 | | Crystal structure of human Fibrillarin in complex with S-adenosyl-L-methionine | | 分子名称: | S-ADENOSYLMETHIONINE, rRNA 2'-O-methyltransferase fibrillarin | | 著者 | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | | 登録日 | 2021-09-30 | | 公開日 | 2022-02-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
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7SED
 | | Crystal structure of human Fibrillarin in complex with compound 2a | | 分子名称: | FORMIC ACID, N-(piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine, rRNA 2'-O-methyltransferase fibrillarin | | 著者 | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | | 登録日 | 2021-09-30 | | 公開日 | 2022-02-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
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7SEB
 | | Crystal structure of human Fibrillarin in complex with compound 2 from single soak | | 分子名称: | 6-(trifluoromethyl)pyrimidin-4-amine, FORMIC ACID, rRNA 2'-O-methyltransferase fibrillarin | | 著者 | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | | 登録日 | 2021-09-30 | | 公開日 | 2022-02-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
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1E37
 | | PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3S, 4S)N-PARA-NITROBENZENESULPHONYL -3-ETHYL-4-(CARBOXYLIC ACID)PYRROLIDIN-2-ONE SOAKED IN PH 9 BUFFER FOR 1 MINUTE | | 分子名称: | (2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID, CALCIUM ION, ELASTASE, ... | | 著者 | Wright, P.A, Wilmouth, R.C, Clifton, I.J, Schofield, C.J. | | 登録日 | 2000-06-06 | | 公開日 | 2000-10-18 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | 'Ph-Jump' Crystallographic Analyses of Gamma-Lactam-Porcine Pancreatic Elastase Complexes
Biochem.J., 351, 2000
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4ZVE
 | | Crystal structure of GGDEF domain of the E. coli DosC - form I (apo-form) | | 分子名称: | 1,2-ETHANEDIOL, CITRIC ACID, Diguanylate cyclase DosC | | 著者 | Tarnawski, M, Barends, T.R.M, Schlichting, I. | | 登録日 | 2015-05-18 | | 公開日 | 2015-11-11 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Structural analysis of an oxygen-regulated diguanylate cyclase.
Acta Crystallogr.,Sect.D, 71, 2015
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6RTJ
 | | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 1-[(dimethylamino)methyl]-2-naphthol at 1 hour of soaking | | 分子名称: | 1-[(dimethylamino)methyl]naphthalen-2-ol, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Angelucci, F, Silvestri, I, Fata, F, Williams, D.L. | | 登録日 | 2019-05-24 | | 公開日 | 2020-01-08 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Ectopic suicide inhibition of thioredoxin glutathione reductase.
Free Radic Biol Med, 147, 2020
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1DK8
 | | CRYSTAL STRUCTURE OF THE RGS-HOMOLOGOUS DOMAIN OF AXIN | | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, AXIN, GLYCEROL, ... | | 著者 | Spink, K.E, Polakis, P, Weis, W.I. | | 登録日 | 1999-12-06 | | 公開日 | 2000-07-12 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Structural basis of the Axin-adenomatous polyposis coli interaction.
EMBO J., 19, 2000
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4GOJ
 | | The Crystal Structure of full length Arl3GppNHp in complex with UNC119a | | 分子名称: | ADP-ribosylation factor-like protein 3, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | 著者 | Ismail, S, Xiang-Chen, Y, Miertzschke, M, Vetter, I, Koerner, C, Wittinghofer, A. | | 登録日 | 2012-08-20 | | 公開日 | 2012-09-19 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural basis for Arl3-specific release of myristoylated ciliary cargo from UNC119.
Embo J., 31, 2012
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7SE6
 | | Crystal structure of human Fibrillarin in ligand-free state | | 分子名称: | FORMIC ACID, rRNA 2'-O-methyltransferase fibrillarin | | 著者 | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | | 登録日 | 2021-09-30 | | 公開日 | 2022-02-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
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5AC3
 | | Crystal structure of PAM12A | | 分子名称: | ACETIC ACID, CADMIUM ION, PEPTIDE AMIDASE | | 著者 | Wu, B, Wijma, H.J, Song, L, Rozeboom, H.J, Poloni, C, Tian, Y, Arif, M.I, Nuijens, T, Quadflieg, P.J.L.M, Szymanski, W, Feringa, B.L, Janssen, D.B. | | 登録日 | 2015-08-11 | | 公開日 | 2016-07-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Versatile Peptide C-Terminal Functionalization Via a Computationally Peptide Amidase
Acs Catalysis, 2016
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5AE3
 | | Ether Lipid-Generating Enzyme AGPS in complex with antimycin A | | 分子名称: | ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, PEROXISOMAL, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Piano, V, Benjamin, D.I, Valente, S, Nenci, S, Marrocco, B, Mai, A, Aliverti, A, Nomura, D.K, Mattevi, A. | | 登録日 | 2015-08-25 | | 公開日 | 2015-09-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Discovery of Inhibitors for the Ether Lipid-Generating Enzyme Agps as Anti-Cancer Agents.
Acs Chem.Biol., 10, 2015
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5ADZ
 | | Ether Lipid-Generating Enzyme AGPS in complex with inhibitor 1a | | 分子名称: | (3S)-3-(2-fluorophenyl)-N-((2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)methyl)butanamide), ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, PEROXISOMAL, ... | | 著者 | Piano, V, Benjamin, D.I, Valente, S, Nenci, S, Marrocco, B, Mai, A, Aliverti, A, Nomura, D.K, Mattevi, A. | | 登録日 | 2015-08-25 | | 公開日 | 2015-09-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery of Inhibitors for the Ether Lipid-Generating Enzyme Agps as Anti-Cancer Agents.
Acs Chem.Biol., 10, 2015
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