2LP2
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![BU of 2lp2 by Molmil](/molmil-images/mine/2lp2) | Solution structure and dynamics of human S100A1 protein modified at cysteine 85 with homocysteine disulfide bond formation in calcium saturated form | Descriptor: | 2-AMINO-4-MERCAPTO-BUTYRIC ACID, CALCIUM ION, Protein S100-A1 | Authors: | Nowakowski, M.E, Jaremko, L, Jaremko, M, Zdanowski, K, Ejchart, A. | Deposit date: | 2012-01-31 | Release date: | 2013-02-20 | Last modified: | 2024-04-03 | Method: | SOLUTION NMR | Cite: | 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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2L0P
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![BU of 2l0p by Molmil](/molmil-images/mine/2l0p) | Solution structure of human apo-S100A1 protein by NMR spectroscopy | Descriptor: | S100 calcium binding protein A1 | Authors: | Nowakowski, M, Jaremko, L, Jaremko, M, Bierzynski, A, Zhukov, I, Ejchart, A. | Deposit date: | 2010-07-12 | Release date: | 2011-04-20 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution NMR structure and dynamics of human apo-S100A1 protein. J.Struct.Biol., 174, 2011
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7NYI
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5LWC
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![BU of 5lwc by Molmil](/molmil-images/mine/5lwc) | NMR solution structure of bacteriocin BacSp222 from Staphylococcus pseudintermedius 222 | Descriptor: | Bacteriocin BacSp222 | Authors: | Nowakowski, M.E, Ejchart, A.O, Jaremko, L, Wladyka, B, Mak, P. | Deposit date: | 2016-09-15 | Release date: | 2017-10-25 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | 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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2M3W
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5HFS
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![BU of 5hfs by Molmil](/molmil-images/mine/5hfs) | CRYSTAL STRUCTURE OF C-TERMINAL DOMAIN OF CARGO PROTEINS OF TYPE IX SECRETION SYSTEM | Descriptor: | CALCIUM ION, Gingipain R2, ZINC ION | Authors: | Golik, P, Szmigielski, B, Ksiazek, M, Nowakowska, Z, Mizgalska, D, Nowak, M, Dubin, G, Potempa, J. | Deposit date: | 2016-01-07 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | 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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6IC0
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![BU of 6ic0 by Molmil](/molmil-images/mine/6ic0) | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 4 | Descriptor: | 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, ... | Authors: | Banaszak, K, Pawlik, H, Bialas, A, Fabritius, C.H, Nowak, M. | Deposit date: | 2018-12-01 | Release date: | 2019-01-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | 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
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![BU of 6ibx by Molmil](/molmil-images/mine/6ibx) | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 5 | Descriptor: | 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, ... | Authors: | Banaszak, K, Pawlik, H, Bialas, A, Fabritius, C.H, Nowak, M. | Deposit date: | 2018-12-01 | Release date: | 2019-01-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | 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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6HVI
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![BU of 6hvi by Molmil](/molmil-images/mine/6hvi) | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 2 | Descriptor: | 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, ... | Authors: | Banaszak, K, Sowinska, M, Gondela, A, Fabritius, C.H, Nowak, M. | Deposit date: | 2018-10-11 | Release date: | 2018-11-14 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Discovery and Structure-Activity Relationships of N-Aryl 6-Aminoquinoxalines as Potent PFKFB3 Kinase Inhibitors. ChemMedChem, 14, 2019
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6HVH
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![BU of 6hvh by Molmil](/molmil-images/mine/6hvh) | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 1 | Descriptor: | 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, ... | Authors: | Banaszak, K, Jakubiec, K, Bialas, A, Fabritius, C.H, Nowak, M. | Deposit date: | 2018-10-11 | Release date: | 2018-11-14 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Discovery and Structure-Activity Relationships of N-Aryl 6-Aminoquinoxalines as Potent PFKFB3 Kinase Inhibitors. ChemMedChem, 14, 2019
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6IBY
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![BU of 6iby by Molmil](/molmil-images/mine/6iby) | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 6 | Descriptor: | 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, ... | Authors: | Banaszak, K, Pawlik, H, Bialas, A, Fabritius, C.H, Nowak, M. | Deposit date: | 2018-12-01 | Release date: | 2019-01-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | 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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6IBZ
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![BU of 6ibz by Molmil](/molmil-images/mine/6ibz) | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 7 | Descriptor: | 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, ... | Authors: | Banaszak, K, Tomczyk, M, Guzik, P, Fabritius, C.H, Nowak, M. | Deposit date: | 2018-12-01 | Release date: | 2019-01-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | 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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6HVJ
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![BU of 6hvj by Molmil](/molmil-images/mine/6hvj) | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 3 | Descriptor: | 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, ... | Authors: | Banaszak, K, Pawlik, H, Bialas, A, Fabritius, C.H, Nowak, M. | Deposit date: | 2018-10-11 | Release date: | 2018-11-14 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Discovery and Structure-Activity Relationships of N-Aryl 6-Aminoquinoxalines as Potent PFKFB3 Kinase Inhibitors. ChemMedChem, 14, 2019
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4GS3
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![BU of 4gs3 by Molmil](/molmil-images/mine/4gs3) | Dimeric structure of the N-terminal domain of PriB protein from Thermoanaerobacter tencongensis solved ab initio | Descriptor: | Single-stranded DNA-binding protein | Authors: | Liebschner, D, Brzezinski, K, Dauter, M, Dauter, Z, Nowak, M, Kur, J, Olszewski, M. | Deposit date: | 2012-08-27 | Release date: | 2012-09-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | 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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5MUN
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![BU of 5mun by Molmil](/molmil-images/mine/5mun) | Structural insight into zymogenic latency of gingipain K from Porphyromonas gingivalis. | Descriptor: | AZIDE ION, Lys-gingipain W83 | Authors: | 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. | Deposit date: | 2017-01-13 | Release date: | 2017-02-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 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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5AG9
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![BU of 5ag9 by Molmil](/molmil-images/mine/5ag9) | CRYSTAL STRUCTURE OF A MUTANT (665sXa) C-TERMINAL DOMAIN OF RGPB | Descriptor: | Gingipain R2, SULFATE ION | Authors: | 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. | Deposit date: | 2015-01-29 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | 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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5AG8
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![BU of 5ag8 by Molmil](/molmil-images/mine/5ag8) | CRYSTAL STRUCTURE OF A MUTANT (665I6H) OF THE C-TERMINAL DOMAIN OF RGPB | Descriptor: | GINGIPAIN R2, GLYCEROL, SULFATE ION | Authors: | 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. | Deposit date: | 2015-01-29 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 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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5M11
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![BU of 5m11 by Molmil](/molmil-images/mine/5m11) | Structural and functional probing of PorZ, an essential bacterial surface component of the type-IX secretion system of human oral-microbiomic Porphyromonas gingivalis. | Descriptor: | CACODYLATE ION, CALCIUM ION, CHLORIDE ION, ... | Authors: | 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. | Deposit date: | 2016-10-07 | Release date: | 2016-11-09 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | 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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8S32
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![BU of 8s32 by Molmil](/molmil-images/mine/8s32) | GroEL with bound GroTAC peptide | Descriptor: | Chaperonin GroEL, GroTAC | Authors: | Wroblewski, K, Izert-Nowakowska, M.A, Goral, T.K, Klimecka, M.M, Kmiecik, S, Gorna, M.W. | Deposit date: | 2024-02-19 | Release date: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (2.45 Å) | Cite: | Depletion of essential GroEL protein in Escherichia coli using Clp-Interacting Peptidic Protein Erasers (CLIPPERs) To Be Published
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2LZJ
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![BU of 2lzj by Molmil](/molmil-images/mine/2lzj) | Refined solution structure and dynamics of First Catalytic Cysteine Half-domain from mouse E1 enzyme | Descriptor: | Ubiquitin-like modifier-activating enzyme 1 | Authors: | Jaremko, M, Jaremko, L, Nowakowski, M, Szczepanowski, R.H, Filipek, R, Wojciechowski, M, Bochtler, M, Ejchart, A. | Deposit date: | 2012-10-03 | Release date: | 2013-09-18 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR structural studies of the first catalytic half-domain of ubiquitin activating enzyme. J.Struct.Biol., 185, 2014
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2MSX
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![BU of 2msx by Molmil](/molmil-images/mine/2msx) | The solution structure of the MANEC-type domain from Hepatocyte Growth Factor Inhibitor 1 reveals an unexpected PAN/apple domain-type fold | Descriptor: | Kunitz-type protease inhibitor 1 | Authors: | Hong, Z, Nowakowski, M.E, Spronk, C, Petersen, S.V, Petersen, J.S, Kozminski, W, Mulder, F, Jensen, J.K. | Deposit date: | 2014-08-09 | Release date: | 2014-12-31 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | 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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