8AE4
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![BU of 8ae4 by Molmil](/molmil-images/mine/8ae4) | Crystal structure of human legumain in complex with Clitocypin 2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Clitocypin-2, ... | Authors: | Elamin, T, Brandstetter, H, Dall, E. | Deposit date: | 2022-07-12 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structural and functional studies of legumain-mycocypin complexes revealed a competitive, exosite-regulated mode of interaction. J.Biol.Chem., 298, 2022
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8AE5
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![BU of 8ae5 by Molmil](/molmil-images/mine/8ae5) | Crystal structure of human legumain in complex with macrocypin 1a | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Legumain, ... | Authors: | Elamin, T, Brandstetter, H, Dall, E. | Deposit date: | 2022-07-12 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structural and functional studies of legumain-mycocypin complexes revealed a competitive, exosite-regulated mode of interaction. J.Biol.Chem., 298, 2022
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3ZRA
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![BU of 3zra by Molmil](/molmil-images/mine/3zra) | Structural basis for agonism and antagonism for a set of chemically related progesterone receptor modulators | Descriptor: | N-{(1R)-1-[4-(2-CHLORO-5-FLUOROPYRIDIN-3-YL)PHENYL]ETHYL}-3,5-DIMETHYLISOXAZOLE-4-SULFONAMIDE, PROGESTERONE RECEPTOR, SULFATE ION | Authors: | Lusher, S.J, Raaijmakers, H.C.A, Vu-Pham, D, Dechering, K, Wai Lam, T, Brown, A.R, Hamilton, N.M, Nimz, O, Azevedo, R, McGuire, R, Oubrie, A, de Vlieg, J. | Deposit date: | 2011-06-15 | Release date: | 2011-08-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for agonism and antagonism for a set of chemically related progesterone receptor modulators. J. Biol. Chem., 286, 2011
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4K4O
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![BU of 4k4o by Molmil](/molmil-images/mine/4k4o) | The DNA Gyrase B ATP binding domain of Enterococcus faecalis in complex with a small molecule inhibitor | Descriptor: | 6-fluoro-4-[(3aR,6aR)-hexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl]-N-methyl-2-[(2-methylpyrimidin-5-yl)oxy]-9H-pyrimido[4,5-b]indol-8-amine, DNA gyrase subunit B, TERTIARY-BUTYL ALCOHOL | Authors: | Bensen, D.C, Akers-Rodriguez, S, Lam, T, Tari, L.W. | Deposit date: | 2013-04-12 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | A new class of type IIA topoisomerase inhibitors with broad-spectrum antibacterial
activity To be Published
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8AQF
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![BU of 8aqf by Molmil](/molmil-images/mine/8aqf) | CRYSTAL STRUCTURE OF HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND LEI-515 | Descriptor: | 1-[(~{R})-[2-chloranyl-4-[(2~{S},3~{S})-4-(3-chlorophenyl)-2,3-dimethyl-piperazin-1-yl]carbonyl-phenyl]sulfinyl]-3,3-bis(fluoranyl)pentan-2-one, Monoglyceride lipase | Authors: | Jiang, M, Huizenga, M, Wirt, J, Paloczi, J, Amedi, A, van der Berg, R, Benz, J, Collin, L, Deng, H, Driever, W, Florea, B, Grether, U, Janssen, A, Heitman, L, Lam, T.W, Mohr, F, Pavlovic, A, Ruf, I, Rutjes, H, Stevens, F, van der Vliet, D, van der Wel, T, Wittwer, M, Boeckel, C, Pacher, P, Hohmann, A, van der Stelt, M. | Deposit date: | 2022-08-12 | Release date: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery of a peripheral restricted, reversible monoacylglycerol lipase inhibitor that reduces liver injury and chemotherapy-induced neuropathy To Be Published
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3ZRB
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![BU of 3zrb by Molmil](/molmil-images/mine/3zrb) | Structural basis for agonism and antagonism for a set of chemically related progesterone receptor modulators | Descriptor: | (R)-N-[1-[4-(3,5-DIMETHYLISOXAZOL-4-YL)PHENYL]ETHYL]-3,5-DIMETHYLISOXAZOLE-4-SULFONAMIDE, 2-CHLORO-N-[[4-(3,5-DIMETHYLISOXAZOL-4-YL)PHENYL]METHYL]-1,4-DIMETHYL-1H-PYRAZOLE-4-SULFONAMIDE, GLYCEROL, ... | Authors: | Lusher, S.J, Raaijmakers, H.C.A, Vu-Pham, D, Dechering, K, Wai Lam, T, Brown, A.R, Hamilton, N.M, Nimz, O, Azevedo, R, Mcguire, R, Oubrie, A, de Vlieg, J. | Deposit date: | 2011-06-15 | Release date: | 2011-08-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for agonism and antagonism for a set of chemically related progesterone receptor modulators. J. Biol. Chem., 286, 2011
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3ZR7
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![BU of 3zr7 by Molmil](/molmil-images/mine/3zr7) | Structural basis for agonism and antagonism for a set of chemically related progesterone receptor modulators | Descriptor: | 2-CHLORO-N-[[4-(3,5-DIMETHYLISOXAZOL-4-YL)PHENYL]METHYL]-1,4-DIMETHYL-1H-PYRAZOLE-4-SULFONAMIDE, GLYCEROL, PROGESTERONE RECEPTOR, ... | Authors: | Lusher, S.J, Raaijmakers, H.C.A, Vu-Pham, D, Dechering, K, Wai Lam, T, Brown, A.R, Hamilton, N.M, Nimz, O, Azevedo, R, McGuire, R, Oubrie, A, de Vlieg, J. | Deposit date: | 2011-06-15 | Release date: | 2011-08-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural basis for agonism and antagonism for a set of chemically related progesterone receptor modulators. J. Biol. Chem., 286, 2011
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4KFG
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![BU of 4kfg by Molmil](/molmil-images/mine/4kfg) | The DNA Gyrase B ATP binding domain of Escherichia coli in complex with a small molecule inhibitor. | Descriptor: | 6-fluoro-4-[(3aR,6aR)-hexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl]-N-methyl-2-[(2-methylpyrimidin-5-yl)oxy]-9H-pyrimido[4,5-b]indol-8-amine, DNA gyrase subunit B, SULFATE ION | Authors: | Bensen, D.C, Akers-Rodriguez, S, Lam, T, Tari, L.W. | Deposit date: | 2013-04-26 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A new class of type IIA topoisomerase inhibitors with broad-spectrum antibacterial activity To be Published
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4KQV
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![BU of 4kqv by Molmil](/molmil-images/mine/4kqv) | Topoisomerase iv atp binding domain of francisella tularensis in complex with a small molecule inhibitor | Descriptor: | 6-fluoro-4-[(3aR,6aR)-hexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl]-N-methyl-2-[(2-methylpyrimidin-5-yl)oxy]-9H-pyrimido[4,5-b]indol-8-amine, IODIDE ION, Topoisomerase IV, ... | Authors: | Bensen, D.C, Akers-Rodriguez, S, Lam, T, Tari, L.W. | Deposit date: | 2013-05-15 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | A new class of type iia topoisomerase inhibitors with
broad-spectrum antibacterial activity To be Published
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5I5L
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![BU of 5i5l by Molmil](/molmil-images/mine/5i5l) | The photosensory module (PAS-GAF-PHY) of the bacterial phytochrome Agp1 (AtBphP1) in the Pr form, chromophore modelled with an endocyclic double bond in pyrrole ring A | Descriptor: | BILIVERDINE IX ALPHA, Bacteriophytochrome protein, CALCIUM ION, ... | Authors: | Nagano, S, Scheerer, P, Zubow, K, Lamparter, T, Krauss, N. | Deposit date: | 2016-02-15 | Release date: | 2016-08-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The Crystal Structures of the N-terminal Photosensory Core Module of Agrobacterium Phytochrome Agp1 as Parallel and Anti-parallel Dimers. J.Biol.Chem., 291, 2016
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6R3U
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![BU of 6r3u by Molmil](/molmil-images/mine/6r3u) | Endo-levanase BT1760 mutant E221A from Bacteroides thetaiotaomicron complexed with levantetraose | Descriptor: | GLYCEROL, Glycoside hydrolase family 32, ZINC ION, ... | Authors: | Eek, P, Ernits, K, Lukk, T, Alamae, T. | Deposit date: | 2019-03-21 | Release date: | 2019-06-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | First crystal structure of an endo-levanase - the BT1760 from a human gut commensal Bacteroides thetaiotaomicron. Sci Rep, 9, 2019
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6R3R
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![BU of 6r3r by Molmil](/molmil-images/mine/6r3r) | First crystal structure of endo-levanase BT1760 from Bacteroides thetaiotaomicron | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLYCEROL, ... | Authors: | Eek, P, Ernits, K, Lukk, T, Alamae, T. | Deposit date: | 2019-03-21 | Release date: | 2019-06-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | First crystal structure of an endo-levanase - the BT1760 from a human gut commensal Bacteroides thetaiotaomicron. Sci Rep, 9, 2019
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6YOO
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![BU of 6yoo by Molmil](/molmil-images/mine/6yoo) | Structure of SAMM50 LIR bound to GABARAPL1 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Gamma-aminobutyric acid receptor-associated protein-like 1, ... | Authors: | Mouilleron, S, Wenxin, Z, Johansen, T, Tooze, S, Abudu, Y.P, Lamark, T. | Deposit date: | 2020-04-14 | Release date: | 2021-04-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | Structure of SAMM50 LIR bound to GABARAPL1 To Be Published
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6YOP
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![BU of 6yop by Molmil](/molmil-images/mine/6yop) | Structure of SAMM50 LIR bound to GABARAP | Descriptor: | Sorting and assembly machinery component 50 homolog,Gamma-aminobutyric acid receptor-associated protein | Authors: | Mouilleron, S, Wenxin, Z, Johansen, T, Tooze, S, Abudu, Y.P, Lamark, T. | Deposit date: | 2020-04-14 | Release date: | 2021-04-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structure of SAMM50 LIR bound to GABARAP To Be Published
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4UF9
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![BU of 4uf9 by Molmil](/molmil-images/mine/4uf9) | Electron cryo-microscopy structure of PB1-p62 type T filaments | Descriptor: | SEQUESTOSOME-1 | Authors: | Ciuffa, R, Lamark, T, Tarafder, A, Guesdon, A, Rybina, S, Hagen, W.J.H, Johansen, T, Sachse, C. | Deposit date: | 2015-03-15 | Release date: | 2015-05-13 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (10.3 Å) | Cite: | The Selective Autophagy Receptor P62 Forms a Flexible Filamentous Helical Scaffold. Cell Rep., 11, 2015
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4UF8
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![BU of 4uf8 by Molmil](/molmil-images/mine/4uf8) | Electron cryo-microscopy structure of PB1-p62 filaments | Descriptor: | SEQUESTOSOME-1 | Authors: | Ciuffa, R, Lamark, T, Tarafder, A, Guesdon, A, Rybina, S, Hagen, W.J.H, Johansen, T, Sachse, C. | Deposit date: | 2015-03-15 | Release date: | 2015-05-13 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (10.9 Å) | Cite: | The Selective Autophagy Receptor P62 Forms a Flexible Filamentous Helical Scaffold. Cell Rep., 11, 2015
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5LXH
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![BU of 5lxh by Molmil](/molmil-images/mine/5lxh) | GABARAP-L1 ATG4B LIR Complex | Descriptor: | Cysteine protease ATG4B, GLYCEROL, Gamma-aminobutyric acid receptor-associated protein-like 1, ... | Authors: | Mouilleron, S, Skytte Rasmussen, M, Kumar Shrestha, B, Wirth, M, Bowitz Larsen, K, Abudu Princely, Y, Sjottem, E, Tooze, S, Lamark, T, Johansen, T, Lee, R. | Deposit date: | 2016-09-21 | Release date: | 2017-02-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | ATG4B contains a C-terminal LIR motif important for binding and efficient cleavage of mammalian orthologs of yeast Atg8. Autophagy, 13, 2017
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5LXI
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![BU of 5lxi by Molmil](/molmil-images/mine/5lxi) | GABARAP-L1 ATG4B LIR Complex | Descriptor: | 1,2-ETHANEDIOL, Cysteine protease ATG4B, DI(HYDROXYETHYL)ETHER, ... | Authors: | Mouilleron, S, Skytte Rasmussen, M, Kumar Shrestha, B, Wirth, M, Bowitz Larsen, K, Abudu Princely, Y, Sjottem, E, Tooze, S, Lamark, T, Johansen, T, Lee, R. | Deposit date: | 2016-09-21 | Release date: | 2017-02-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | ATG4B contains a C-terminal LIR motif important for binding and efficient cleavage of mammalian orthologs of yeast Atg8. Autophagy, 13, 2017
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6R26
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![BU of 6r26 by Molmil](/molmil-images/mine/6r26) | The photosensory core module (PAS-GAF-PHY) of the bacterial phytochrome Agp1 (AtBphP1) locked in a Pr-like state | Descriptor: | 3-[2-[(~{Z})-[12-ethyl-6-(3-hydroxy-3-oxopropyl)-13-methyl-11-oxidanylidene-4,10-diazatricyclo[8.3.0.0^{3,7}]trideca-1,3,6,12-tetraen-5-ylidene]methyl]-5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Bacteriophytochrome protein, CALCIUM ION | Authors: | Scheerer, P, Michael, N, Lamparter, T, Krauss, N. | Deposit date: | 2019-03-15 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Crystal structures of the photosensory core module of bacteriophytochrome Agp1 reveal pronounced structural flexibility of this protein in the red-absorbing Pr state To Be Published
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6R27
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![BU of 6r27 by Molmil](/molmil-images/mine/6r27) | Crystallographic superstructure of the photosensory core module (PAS-GAF-PHY) of the bacterial phytochrome Agp1 (AtBphP1) locked in a Pr-like state | Descriptor: | 3-[2-[(~{Z})-[12-ethyl-6-(3-hydroxy-3-oxopropyl)-13-methyl-11-oxidanylidene-4,10-diazatricyclo[8.3.0.0^{3,7}]trideca-1,3,6,12-tetraen-5-ylidene]methyl]-5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Bacteriophytochrome protein | Authors: | Scheerer, P, Michael, N, Lamparter, T, Krauss, N. | Deposit date: | 2019-03-15 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Crystal structures of the photosensory core module of bacteriophytochrome Agp1 reveal pronounced structural flexibility of this protein in the red-absorbing Pr state To Be Published
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4U63
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![BU of 4u63 by Molmil](/molmil-images/mine/4u63) | Crystal structure of a bacterial class III photolyase from Agrobacterium tumefaciens at 1.67A resolution | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACID, DNA photolyase, ... | Authors: | Scheerer, P, Zhang, F, Kalms, J, von Stetten, D, Krauss, N, Oberpichler, I, Lamparter, T. | Deposit date: | 2014-07-26 | Release date: | 2015-03-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | The Class III Cyclobutane Pyrimidine Dimer Photolyase Structure Reveals a New Antenna Chromophore Binding Site and Alternative Photoreduction Pathways. J.Biol.Chem., 290, 2015
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5KCM
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![BU of 5kcm by Molmil](/molmil-images/mine/5kcm) | Crystal structure of iron-sulfur cluster containing photolyase PhrB mutant I51W | Descriptor: | (6-4) photolyase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Yang, X, Bowatte, K, Zhang, F, Lamparter, T. | Deposit date: | 2016-06-06 | Release date: | 2017-01-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.149 Å) | Cite: | Crystal Structures of Bacterial (6-4) Photolyase Mutants with Impaired DNA Repair Activity. Photochem. Photobiol., 93, 2017
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5LFA
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![BU of 5lfa by Molmil](/molmil-images/mine/5lfa) | Crystal structure of iron-sulfur cluster containing bacterial (6-4) photolyase PhrB - Y424F mutant with impaired DNA repair activity | Descriptor: | (6-4) photolyase, 1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Kwiatkowski, D, Zhang, F, Krauss, N, Lamparter, T, Scheerer, P. | Deposit date: | 2016-06-30 | Release date: | 2017-01-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structures of Bacterial (6-4) Photolyase Mutants with Impaired DNA Repair Activity. Photochem. Photobiol., 93, 2017
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1D6A
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![BU of 1d6a by Molmil](/molmil-images/mine/1d6a) | STRUCTURE OF POKEWEED ANTIVIRAL PROTEIN COMPLEXED WITH GUANINE | Descriptor: | GUANINE, POKEWEED ANTIVIRAL PROTEIN | Authors: | Kurinov, I.V, Rajamohan, F, Venkatachalam, T.K, Uckun, F.M. | Deposit date: | 1999-10-12 | Release date: | 1999-12-16 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | X-ray crystallographic analysis of the structural basis for the interaction of pokeweed antiviral protein with guanine residues of ribosomal RNA. Protein Sci., 8, 1999
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2W26
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![BU of 2w26 by Molmil](/molmil-images/mine/2w26) | Factor Xa in complex with BAY59-7939 | Descriptor: | 5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION | Authors: | Roehrig, S, Straub, A, Pohlmann, J, Lampe, T, Pernerstorfer, J, Schlemmer, K, Reinemer, P, Perzborn, E, Schaefer, M. | Deposit date: | 2008-10-24 | Release date: | 2008-11-11 | Last modified: | 2021-04-28 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Discovery of the Novel Antithrombotic Agent 5-Chloro-N-({(5S)-2-Oxo-3- [4-(3-Oxomorpholin-4-Yl)Phenyl]-1,3-Oxazolidin-5-Yl}Methyl)Thiophene-2- Carboxamide (Bay 59-7939): An Oral, Direct Factor Xa Inhibitor. J.Med.Chem., 48, 2005
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