4TN8
 
 | | Crystal structure of Thermus Thermophilus thioredoxin solved by sulfur SAD using Swiss Light Source data | | 分子名称: | CHLORIDE ION, Thioredoxin | | 著者 | Weinert, T, Waltersperger, S, Olieric, V, Panepucci, E, Chen, L, Rose, J.P, Wang, M, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | | 登録日 | 2014-06-03 | | 公開日 | 2014-12-10 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
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7P2W
 | | E.coli GyrB24 with inhibitor LMD92 (EBL2682) | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(3-carboxyphenyl)methoxy]-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, ... | | 著者 | Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Durcik, M, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P. | | 登録日 | 2021-07-06 | | 公開日 | 2022-07-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
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6S1U
 | | Crystal structure of dimeric M-PMV protease C7A/D26N/C106A mutant in complex with inhibitor | | 分子名称: | Gag-Pro-Pol polyprotein, PRO-0A1-VAL-PSA-ALA-MET-THR | | 著者 | Wosicki, S, Gilski, M, Jaskolski, M, Zabranska, H, Pichova, I. | | 登録日 | 2019-06-19 | | 公開日 | 2019-10-16 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Comparison of a retroviral protease in monomeric and dimeric states.
Acta Crystallogr D Struct Biol, 75, 2019
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6S1W
 | | Crystal structure of dimeric M-PMV protease D26N mutant | | 分子名称: | Gag-Pro-Pol polyprotein | | 著者 | Wosicki, S, Gilski, M, Jaskolski, M, Zabranska, H, Pichova, I. | | 登録日 | 2019-06-19 | | 公開日 | 2019-10-16 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Comparison of a retroviral protease in monomeric and dimeric states.
Acta Crystallogr D Struct Biol, 75, 2019
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7P2M
 | | E.coli GyrB24 with inhibitor LMD43 (EBL2560) | | 分子名称: | 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, PHOSPHATE ION | | 著者 | Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Durcik, M, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P. | | 登録日 | 2021-07-06 | | 公開日 | 2022-07-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | | 主引用文献 | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
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8B2N
 | | Potempin A (PotA) from Tannerella forsythia in complex with the catalytic domain of human MMP-12 | | 分子名称: | CALCIUM ION, Macrophage metalloelastase, Tannerella forsythia potempin A (PotA), ... | | 著者 | Potempa, J, Ksiazek, M, Goulas, T, Cuppari, A, Rodriguez-Banqueri, A, Arolas, J.L, Lopez-Pelegrin, M, Garcia-Ferrer, I, Guevara, T. | | 登録日 | 2022-09-14 | | 公開日 | 2022-12-21 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | A unique network of attack, defence and competence on the outer membrane of the periodontitis pathogen Tannerella forsythia.
Chem Sci, 14, 2023
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5K56
 | | Human muscle fructose-1,6-bisphosphatase in active R-state in complex with fructose-1,6-bisphosphate | | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase isozyme 2 | | 著者 | Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D. | | 登録日 | 2016-05-23 | | 公開日 | 2017-06-07 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.198 Å) | | 主引用文献 | Structural studies of human muscle FBPase
To Be Published
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8B2M
 | | Matrix-metallopeptidase inhibitor Potempin A (PotA) from Tannerella forsythia | | 分子名称: | NICKEL (II) ION, Tannerella forsythia Potempin A (PotA) | | 著者 | Potempa, J, Ksiazek, M, Goulas, T, Cuppari, A, Rodriguez-Banqueri, A, Arolas, J.L, Lopez-Pelegrin, M, Garcia-Ferrer, I, Guevara, T. | | 登録日 | 2022-09-14 | | 公開日 | 2022-12-21 | | 最終更新日 | 2023-02-22 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | A unique network of attack, defence and competence on the outer membrane of the periodontitis pathogen Tannerella forsythia.
Chem Sci, 14, 2023
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8B2Q
 | | Matrix-metallopeptidase inhibitor Potempin A (PotA) from Tannerella forsythia in complex with T. forsythia karilysin. | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | | 著者 | Potempa, J, Ksiazek, M, Goulas, T, Cuppari, A, Rodriguez-Banqueri, A, Arolas, J.L, Lopez-Pelegrin, M, Garcia-Ferrer, I, Guevara, T. | | 登録日 | 2022-09-14 | | 公開日 | 2022-12-21 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | A unique network of attack, defence and competence on the outer membrane of the periodontitis pathogen Tannerella forsythia.
Chem Sci, 14, 2023
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4RLB
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3LIJ
 | | Crystal structure of full length CpCDPK3 (cgd5_820) in complex with Ca2+ and AMPPNP | | 分子名称: | CALCIUM ION, Calcium/calmodulin dependent protein kinase with a kinase domain and 4 calmodulin like EF hands, MAGNESIUM ION, ... | | 著者 | Qiu, W, Hutchinson, A, Wernimont, A, Walker, J.R, Sullivan, H, Lin, Y.-H, Mackenzie, F, Kozieradzki, I, Cossar, D, Schapira, M, Senisterra, G, Vedadi, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | | 登録日 | 2010-01-25 | | 公開日 | 2010-02-02 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structure of full length CpCDPK3 (cgd5_820) in complex with Ca2+ and AMPPNP
To be Published
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3H95
 | | Crystal structure of the NUDIX domain of NUDT6 | | 分子名称: | CITRATE ANION, GLYCEROL, Nucleoside diphosphate-linked moiety X motif 6 | | 著者 | Tresaugues, L, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotyenova, T, Kotzch, A, Nielsen, T.K, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC) | | 登録日 | 2009-04-30 | | 公開日 | 2009-07-07 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal structure of the NUDIX domain of NUDT6
To be Published
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7A0O
 | | NMR structure of flagelliform spidroin (FlagSp) N-terminal domain from Trichonephila clavipes at pH 5.5 | | 分子名称: | Flagelliform spidroin variant 1 | | 著者 | Sarr, M, Kitoka, K, Walsh-White, K.-A, Kaldmae, M, Landreh, M, Rising, A, Johansson, J, Jaudzems, K, Kronqvist, N. | | 登録日 | 2020-08-10 | | 公開日 | 2021-08-18 | | 最終更新日 | 2024-06-19 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The dimerization mechanism of the N-terminal domain of spider silk proteins is conserved despite extensive sequence divergence.
J.Biol.Chem., 298, 2022
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5KC1
 | | Structure of the C-terminal dimerization domain of Atg38 | | 分子名称: | 1,2-ETHANEDIOL, AMMONIUM ION, Autophagy-related protein 38, ... | | 著者 | Ohashi, Y, Soler, N, Garcia-Ortegon, M, Zhang, L, Perisic, O, Masson, G.R, Johnson, C.M, Williams, R.J. | | 登録日 | 2016-06-04 | | 公開日 | 2016-10-05 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Characterization of Atg38 and NRBF2, a fifth subunit of the autophagic Vps34/PIK3C3 complex.
Autophagy, 12, 2016
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7A0I
 | | NMR structure of flagelliform spidroin (FlagSp) N-terminal domain from Trichonephila clavipes at pH 7.2 | | 分子名称: | Flagelliform spidroin variant 1 | | 著者 | Sarr, M, Kitoka, K, Walsh-White, K.-A, Kaldmae, M, Landreh, M, Rising, A, Johansson, J, Jaudzems, K, Kronqvist, N. | | 登録日 | 2020-08-09 | | 公開日 | 2021-08-18 | | 最終更新日 | 2024-06-19 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The dimerization mechanism of the N-terminal domain of spider silk proteins is conserved despite extensive sequence divergence.
J.Biol.Chem., 298, 2022
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8RNY
 | | Hen Egg White Lysozyme soaked with with [H2Ind][trans-RuCl4(DMSO)(HInd)] | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | | 著者 | Oszajca, M, Flejszar, M, Szura, A, Drozdz, P, Brindell, M, Kurpiewska, K. | | 登録日 | 2024-01-11 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.02 Å) | | 主引用文献 | Exploring the coordination chemistry of ruthenium complexes with lysozymes: structural and in-solution studies.
Front Chem, 12, 2024
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7B0H
 | | TgoT_6G12 Ternary complex | | 分子名称: | DNA (5'-D(P*AP*AP*CP*GP*GP*CP*AP*AP*AP*TP*GP*CP*G)-3'), DNA (5'-D(P*CP*GP*CP*AP*TP*T)-3'), DNA polymerase, ... | | 著者 | Samson, C, Legrand, P, Tekpinar, M, Rozenski, J, Abramov, M, Holliger, P, Pinheiro, V, Herdewijn, P, Delarue, M. | | 登録日 | 2020-11-19 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | | 主引用文献 | Structural Studies of HNA Substrate Specificity in Mutants of an Archaeal DNA Polymerase Obtained by Directed Evolution.
Biomolecules, 10, 2020
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7RSE
 | | NMR-driven structure of the KRAS4B-G12D "alpha-beta" dimer on a lipid bilayer nanodisc | | 分子名称: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Apolipoprotein A-I, GTPase KRas, ... | | 著者 | Lee, K, Enomoto, M, Gebregiworgis, T, Gasmi-Seabrook, G.M, Ikura, M, Marshall, C.B. | | 登録日 | 2021-08-11 | | 公開日 | 2021-09-22 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Oncogenic KRAS G12D mutation promotes dimerization through a second, phosphatidylserine-dependent interface: a model for KRAS oligomerization.
Chem Sci, 12, 2021
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7OYP
 | | Carbonic anhydrase II in complex with Hit3-t1 (MH172) | | 分子名称: | (2S)-3-oxidanyl-2-[2-[(4-sulfamoylphenyl)methoxyamino]ethanoylamino]propanamide, 4-methylbenzenesulfonamide, Carbonic anhydrase 2, ... | | 著者 | Kugler, M, Brynda, J, Rezacova, P. | | 登録日 | 2021-06-24 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study.
Rsc Med Chem, 14, 2023
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7OYN
 | | Carbonic anhydrase II in complex with Hit3 (MH57) | | 分子名称: | Carbonic anhydrase 2, Hit3 (MH57), ZINC ION | | 著者 | Kugler, M, Brynda, J, Rezacova, P. | | 登録日 | 2021-06-24 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (0.98 Å) | | 主引用文献 | Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study.
Rsc Med Chem, 14, 2023
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7RSC
 | | NMR-driven structure of the KRAS4B-G12D "alpha-alpha" dimer on a lipid bilayer nanodisc | | 分子名称: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Apolipoprotein A-I, GTPase KRas, ... | | 著者 | Lee, K, Enomoto, M, Gebregiworgis, T, Gasmi-Seabrook, G.M, Ikura, M, Marshall, C.B. | | 登録日 | 2021-08-11 | | 公開日 | 2021-09-22 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Oncogenic KRAS G12D mutation promotes dimerization through a second, phosphatidylserine-dependent interface: a model for KRAS oligomerization.
Chem Sci, 12, 2021
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7OYR
 | | Carbonic anhydrase II in complex with Hit3-t4 (MH181) | | 分子名称: | Carbonic anhydrase 2, Hit3-t4 (MH181), ZINC ION | | 著者 | Kugler, M, Brynda, J, Rezacova, P. | | 登録日 | 2021-06-24 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study.
Rsc Med Chem, 14, 2023
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7OYQ
 | | Carbonic anhydrase II in complex with Hit3-t2 (MH174) | | 分子名称: | Carbonic anhydrase 2, Hit3-t2 (MH174), ZINC ION | | 著者 | Kugler, M, Brynda, J, Rezacova, P. | | 登録日 | 2021-06-24 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study.
Rsc Med Chem, 14, 2023
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4WL0
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7OYM
 | | Carbonic anhydrase II in complex with Hit2 (MH65) | | 分子名称: | Carbonic anhydrase 2, Hit2 (MH65), ZINC ION | | 著者 | Kugler, M, Brynda, J, Rezacova, P. | | 登録日 | 2021-06-24 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (0.98 Å) | | 主引用文献 | Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study.
Rsc Med Chem, 14, 2023
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