2L0P
 
 | | Solution structure of human apo-S100A1 protein by NMR spectroscopy | | 分子名称: | S100 calcium binding protein A1 | | 著者 | Nowakowski, M, Jaremko, L, Jaremko, M, Bierzynski, A, Zhukov, I, Ejchart, A. | | 登録日 | 2010-07-12 | | 公開日 | 2011-04-20 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution NMR structure and dynamics of human apo-S100A1 protein.
J.Struct.Biol., 174, 2011
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7NYI
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5HFS
 | | CRYSTAL STRUCTURE OF C-TERMINAL DOMAIN OF CARGO PROTEINS OF TYPE IX SECRETION SYSTEM | | 分子名称: | CALCIUM ION, Gingipain R2, ZINC ION | | 著者 | Golik, P, Szmigielski, B, Ksiazek, M, Nowakowska, Z, Mizgalska, D, Nowak, M, Dubin, G, Potempa, J. | | 登録日 | 2016-01-07 | | 公開日 | 2016-04-06 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | The outer-membrane export signal of Porphyromonas gingivalis type IX secretion system (T9SS) is a conserved C-terminal beta-sandwich domain.
Sci Rep, 6, 2016
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5MUN
 | | Structural insight into zymogenic latency of gingipain K from Porphyromonas gingivalis. | | 分子名称: | AZIDE ION, Lys-gingipain W83 | | 著者 | Pomowski, A, Uson, I, Nowakovska, Z, Veillard, F, Sztukowska, M.N, Guevara, T, Goulas, T, Mizgalska, D, Nowak, M, Potempa, B, Huntington, J.A, Potempa, J, Gomis-Ruth, F.X. | | 登録日 | 2017-01-13 | | 公開日 | 2017-02-22 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural insights unravel the zymogenic mechanism of the virulence factor gingipain K from Porphyromonas gingivalis, a causative agent of gum disease from the human oral microbiome.
J. Biol. Chem., 292, 2017
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5AG8
 | | CRYSTAL STRUCTURE OF A MUTANT (665I6H) OF THE C-TERMINAL DOMAIN OF RGPB | | 分子名称: | GINGIPAIN R2, GLYCEROL, SULFATE ION | | 著者 | de Diego, I, Ksiazek, M, Mizgalska, D, Golik, P, Szmigielski, B, Nowak, M, Nowakowska, Z, Potempa, B, Koneru, L, Nguyen, K.A, Enghild, J, Thogersen, I.B, Dubin, G, Gomis-Ruth, F.X, Potempa, J. | | 登録日 | 2015-01-29 | | 公開日 | 2016-04-06 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The Outer-Membrane Export Signal of Porphyromonas Gingivalis Type Ix Secretion System (T9Ss) is a Conserved C-Terminal Beta-Sandwich Domain.
Sci.Rep., 6, 2016
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5AG9
 | | CRYSTAL STRUCTURE OF A MUTANT (665sXa) C-TERMINAL DOMAIN OF RGPB | | 分子名称: | Gingipain R2, SULFATE ION | | 著者 | de Diego, I, Ksiazek, M, Mizgalska, D, Golik, P, Szmigielski, B, Nowak, M, Nowakowska, Z, Potempa, B, Koneru, L, Nguyen, K.A, Enghild, J, Thogersen, I.B, Dubin, G, Gomis-Ruth, F.X, Potempa, J. | | 登録日 | 2015-01-29 | | 公開日 | 2016-04-06 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | The outer-membrane export signal of Porphyromonas gingivalis type IX secretion system (T9SS) is a conserved C-terminal beta-sandwich domain.
Sci Rep, 6, 2016
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6HVI
 | | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 2 | | 分子名称: | 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, 8-[3-(dimethylamino)phenyl]-~{N}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine, ... | | 著者 | Banaszak, K, Sowinska, M, Gondela, A, Fabritius, C.H, Nowak, M. | | 登録日 | 2018-10-11 | | 公開日 | 2018-11-14 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Discovery and Structure-Activity Relationships of N-Aryl 6-Aminoquinoxalines as Potent PFKFB3 Kinase Inhibitors.
ChemMedChem, 14, 2019
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6HVH
 | | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 1 | | 分子名称: | 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-(oxan-4-yl)pyridine-4-carboxamide, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ... | | 著者 | Banaszak, K, Jakubiec, K, Bialas, A, Fabritius, C.H, Nowak, M. | | 登録日 | 2018-10-11 | | 公開日 | 2018-11-14 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Discovery and Structure-Activity Relationships of N-Aryl 6-Aminoquinoxalines as Potent PFKFB3 Kinase Inhibitors.
ChemMedChem, 14, 2019
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6HVJ
 | | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 3 | | 分子名称: | 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, 8-(3-methyl-1-benzofuran-5-yl)-~{N}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine, ... | | 著者 | Banaszak, K, Pawlik, H, Bialas, A, Fabritius, C.H, Nowak, M. | | 登録日 | 2018-10-11 | | 公開日 | 2018-11-14 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Discovery and Structure-Activity Relationships of N-Aryl 6-Aminoquinoxalines as Potent PFKFB3 Kinase Inhibitors.
ChemMedChem, 14, 2019
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6IBZ
 | | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 7 | | 分子名称: | 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-(pyrimidin-5-ylmethyl)benzenesulfonamide, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ... | | 著者 | Banaszak, K, Tomczyk, M, Guzik, P, Fabritius, C.H, Nowak, M. | | 登録日 | 2018-12-01 | | 公開日 | 2019-01-23 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties.
Bioorg. Med. Chem. Lett., 29, 2019
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6IBY
 | | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 6 | | 分子名称: | 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-[(3~{S})-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ... | | 著者 | Banaszak, K, Pawlik, H, Bialas, A, Fabritius, C.H, Nowak, M. | | 登録日 | 2018-12-01 | | 公開日 | 2019-01-23 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | | 主引用文献 | Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties.
Bioorg. Med. Chem. Lett., 29, 2019
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6IC0
 | | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 4 | | 分子名称: | 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-pyrimidin-5-yl-pyridine-4-carboxamide, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ... | | 著者 | Banaszak, K, Pawlik, H, Bialas, A, Fabritius, C.H, Nowak, M. | | 登録日 | 2018-12-01 | | 公開日 | 2019-01-23 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties.
Bioorg. Med. Chem. Lett., 29, 2019
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6IBX
 | | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 5 | | 分子名称: | 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-[(3~{S})-1-methylpiperidin-3-yl]pyridine-4-carboxamide, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ... | | 著者 | Banaszak, K, Pawlik, H, Bialas, A, Fabritius, C.H, Nowak, M. | | 登録日 | 2018-12-01 | | 公開日 | 2019-01-23 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties.
Bioorg. Med. Chem. Lett., 29, 2019
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5M11
 | | Structural and functional probing of PorZ, an essential bacterial surface component of the type-IX secretion system of human oral-microbiomic Porphyromonas gingivalis. | | 分子名称: | CACODYLATE ION, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Lasica, A.M, Goulas, T, Mizgalska, D, Zhou, X, Ksiazek, M, Madej, M, Guo, Y, Guevara, T, Nowak, M, Potempa, B, Goel, A, Sztukowska, M, Prabhakar, A.T, Bzowska, M, Widziolek, M, Thogersen, I.B, Enghild, J.J, Simonian, M, Kulczyk, A.W, Nguyen, K.-A, Potempa, J, Gomis-Ruth, F.X. | | 登録日 | 2016-10-07 | | 公開日 | 2016-11-09 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structural and functional probing of PorZ, an essential bacterial surface component of the type-IX secretion system of human oral-microbiomic Porphyromonas gingivalis.
Sci Rep, 6, 2016
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4GS3
 | | Dimeric structure of the N-terminal domain of PriB protein from Thermoanaerobacter tencongensis solved ab initio | | 分子名称: | Single-stranded DNA-binding protein | | 著者 | Liebschner, D, Brzezinski, K, Dauter, M, Dauter, Z, Nowak, M, Kur, J, Olszewski, M. | | 登録日 | 2012-08-27 | | 公開日 | 2012-09-19 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.09 Å) | | 主引用文献 | Dimeric structure of the N-terminal domain of PriB protein from Thermoanaerobacter tengcongensis solved ab initio.
Acta Crystallogr.,Sect.D, 68, 2012
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2LZJ
 | | Refined solution structure and dynamics of First Catalytic Cysteine Half-domain from mouse E1 enzyme | | 分子名称: | Ubiquitin-like modifier-activating enzyme 1 | | 著者 | Jaremko, M, Jaremko, L, Nowakowski, M, Szczepanowski, R.H, Filipek, R, Wojciechowski, M, Bochtler, M, Ejchart, A. | | 登録日 | 2012-10-03 | | 公開日 | 2013-09-18 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR structural studies of the first catalytic half-domain of ubiquitin activating enzyme.
J.Struct.Biol., 185, 2014
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2LP2
 | | Solution structure and dynamics of human S100A1 protein modified at cysteine 85 with homocysteine disulfide bond formation in calcium saturated form | | 分子名称: | 2-AMINO-4-MERCAPTO-BUTYRIC ACID, CALCIUM ION, Protein S100-A1 | | 著者 | Nowakowski, M.E, Jaremko, L, Jaremko, M, Zdanowski, K, Ejchart, A. | | 登録日 | 2012-01-31 | | 公開日 | 2013-02-20 | | 最終更新日 | 2024-10-09 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Impact of calcium binding and thionylation of S100A1 protein on its nuclear magnetic resonance-derived structure and backbone dynamics.
Biochemistry, 52, 2013
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5LWC
 | | NMR solution structure of bacteriocin BacSp222 from Staphylococcus pseudintermedius 222 | | 分子名称: | Bacteriocin BacSp222 | | 著者 | Nowakowski, M.E, Ejchart, A.O, Jaremko, L, Wladyka, B, Mak, P. | | 登録日 | 2016-09-15 | | 公開日 | 2017-10-25 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Spatial attributes of the four-helix bundle group of bacteriocins - The high-resolution structure of BacSp222 in solution.
Int.J.Biol.Macromol., 107, 2018
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2LP3
 | | Solution structure of S100A1 Ca2+ | | 分子名称: | CALCIUM ION, Protein S100-A1 | | 著者 | Budzinska, M, Ruszczynska-Bartnik, K, Belczyk-Ciesielska, A, Bierzynski, A, Ejchart, A. | | 登録日 | 2012-01-31 | | 公開日 | 2013-02-20 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Impact of calcium binding and thionylation of S100A1 protein on its nuclear magnetic resonance-derived structure and backbone dynamics.
Biochemistry, 52, 2013
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8CK3
 | | STRUCTURE OF HIF2A-ARNT HETERODIMER IN COMPLEX WITH (S)-1-(3,5-Difluoro-phenyl)-5,5-difluoro-3-methanesulfonyl-5,6-dihydro-4H-cyclopenta[c]thiophen-4-ol | | 分子名称: | (4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol, Aryl hydrocarbon receptor nuclear translocator, DIMETHYL SULFOXIDE, ... | | 著者 | Musil, D, Lehmannn, M, Diehl, L. | | 登録日 | 2023-02-14 | | 公開日 | 2023-07-19 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.707 Å) | | 主引用文献 | Discovery of Cycloalkyl[ c ]thiophenes as Novel Scaffolds for Hypoxia-Inducible Factor-2 alpha Inhibitors.
J.Med.Chem., 66, 2023
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8CK8
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8CK4
 | | STRUCTURE OF HIF2A-ARNT HETERODIMER IN COMPLEX WITH (4S)-1-(3,5-difluorophenyl)-5,5-difluoro-3-methanesulfonyl-4,5,6,7-tetrahydro-2-benzothiophen-4-ol | | 分子名称: | (4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-6,7-dihydro-4~{H}-2-benzothiophen-4-ol, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 | | 著者 | Musil, D. | | 登録日 | 2023-02-14 | | 公開日 | 2023-07-19 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Discovery of Cycloalkyl[ c ]thiophenes as Novel Scaffolds for Hypoxia-Inducible Factor-2 alpha Inhibitors.
J.Med.Chem., 66, 2023
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6I9A
 | | Porphyromonas gingivalis gingipain K (Kgp) in complex with inhibitor KYT-36 | | 分子名称: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | | 著者 | Gomis-Ruth, F.X, Guevara, T, Rofdriguez-Banqueri, A. | | 登録日 | 2018-11-22 | | 公開日 | 2019-03-13 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Structural determinants of inhibition of Porphyromonas gingivalis gingipain K by KYT-36, a potent, selective, and bioavailable peptidase inhibitor.
Sci Rep, 9, 2019
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4U09
 | | Structure of Leptospira interrogans LRR protein LIC12759 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Shepard, W, Saul, F.A, Haouz, A, Picardeau, M. | | 登録日 | 2014-07-11 | | 公開日 | 2015-06-03 | | 最終更新日 | 2015-06-17 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structural characterization of a novel subfamily of leucine-rich repeat proteins from the human pathogen Leptospira interrogans.
Acta Crystallogr.,Sect.D, 71, 2015
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2MSX
 | | The solution structure of the MANEC-type domain from Hepatocyte Growth Factor Inhibitor 1 reveals an unexpected PAN/apple domain-type fold | | 分子名称: | Kunitz-type protease inhibitor 1 | | 著者 | Hong, Z, Nowakowski, M.E, Spronk, C, Petersen, S.V, Petersen, J.S, Kozminski, W, Mulder, F, Jensen, J.K. | | 登録日 | 2014-08-09 | | 公開日 | 2014-12-31 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The solution structure of the MANEC-type domain from hepatocyte growth factor activator inhibitor-1 reveals an unexpected PAN/apple domain-type fold.
Biochem.J., 466, 2015
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