3Q4G
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![BU of 3q4g by Molmil](/molmil-images/mine/3q4g) | Structure of NAD synthetase from Vibrio cholerae | Descriptor: | CALCIUM ION, NH(3)-dependent NAD(+) synthetase | Authors: | Anderson, S.M, Wawrzak, Z, Onopriyenko, O, Peterson, S.N, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-12-23 | Release date: | 2011-01-26 | Last modified: | 2014-11-12 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of NAD synthetase from Vibrio cholerae TO BE PUBLISHED
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2XOD
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![BU of 2xod by Molmil](/molmil-images/mine/2xod) | Crystal structure of flavoprotein NrdI from Bacillus anthracis in the oxidised form | Descriptor: | CACODYLATE ION, FLAVIN MONONUCLEOTIDE, NRDI PROTEIN, ... | Authors: | Johansson, R, Sprenger, J, Torrents, E, Sahlin, M, Sjoberg, B.M, Logan, D.T. | Deposit date: | 2010-08-14 | Release date: | 2010-08-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (0.96 Å) | Cite: | High Resolution Crystal Structures of Nrdi in the Oxidised and Reduced States: An Unusual Flavodoxin FEBS J., 277, 2010
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2XFA
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![BU of 2xfa by Molmil](/molmil-images/mine/2xfa) | Crystal structure of Plasmodium berghei actin depolymerization factor 2 | Descriptor: | ACTIN DEPOLYMERIZATION FACTOR 2 | Authors: | Singh, B.K, Sattler, J.M, Huttu, J, Chatterjee, M, Schueler, H, Kursula, I. | Deposit date: | 2010-05-21 | Release date: | 2011-06-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structures Explain Functional Differences in the Two Actin Depolymerization Factors of the Malaria Parasite. J.Biol.Chem., 286, 2011
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2XQ0
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![BU of 2xq0 by Molmil](/molmil-images/mine/2xq0) | Structure of yeast LTA4 hydrolase in complex with Bestatin | Descriptor: | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, CHLORIDE ION, LEUKOTRIENE A-4 HYDROLASE, ... | Authors: | Helgstrand, C, Hasan, M, Usyal, H, Haeggstrom, J.Z, Thunnissen, M.M.G.M. | Deposit date: | 2010-08-31 | Release date: | 2010-12-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.955 Å) | Cite: | A Leukotriene A(4) Hydrolase-Related Aminopeptidase from Yeast Undergoes Induced Fit Upon Inhibitor Binding. J.Mol.Biol., 406, 2011
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2XHN
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![BU of 2xhn by Molmil](/molmil-images/mine/2xhn) | Rhamnogalacturonan lyase from Aspergillus aculeatus K150A active site mutant | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, RHAMNOGALACTURONASE B, ... | Authors: | Jensen, M.H, Otten, H, Christensen, U, Borchert, T.V, Christensen, L.L.H, Larsen, S, Lo Leggio, L. | Deposit date: | 2010-06-18 | Release date: | 2010-09-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Structural and Biochemical Studies Elucidate the Mechanism of Rhamnogalacturonan Lyase from Aspergillus Aculeatus. J.Mol.Biol., 404, 2010
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2XYF
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![BU of 2xyf by Molmil](/molmil-images/mine/2xyf) | HIV-1 Inhibitors with a Tertiary-Alcohol-containing Transition-State Mimic and various P2 and P1 prime Substituents | Descriptor: | METHYL N-[(2S)-1-[2-[(4R)-5-[[(2S)-3,3-DIMETHYL-1-METHYLAMINO-1-OXO-BUTAN-2-YL]AMINO]-4-HYDROXY-5-OXO-4-(PHENYLMETHYL)PENTYL]-2-[(4-THIOPHEN-3-YLPHENYL)METHYL]HYDRAZINYL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE, PROTEASE | Authors: | Ohrngren, P, Wu, X, Persson, M, Ekegren, J.K, Wallberg, H, Rosenquist, A, Samuelsson, B, Unge, T, Larhed, M. | Deposit date: | 2010-11-17 | Release date: | 2011-12-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | HIV-1 Protease Inhibitors with a Tertiary Alcohol Containing Transition-State Mimic and Various P2 and P1' Substituents Med.Chem.Commun., 2, 2011
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2XOE
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![BU of 2xoe by Molmil](/molmil-images/mine/2xoe) | Crystal structure of flavoprotein NrdI from Bacillus anthracis in the semiquinone form | Descriptor: | ACETATE ION, CACODYLATE ION, FLAVIN MONONUCLEOTIDE, ... | Authors: | Johansson, R, Sprenger, J, Torrents, E, Sahlin, M, Sjoberg, B.M, Logan, D.T. | Deposit date: | 2010-08-14 | Release date: | 2010-08-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | High Resolution Crystal Structures of Nrdi in the Oxidised and Reduced States: An Unusual Flavodoxin FEBS J., 277, 2010
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2XPY
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![BU of 2xpy by Molmil](/molmil-images/mine/2xpy) | Structure of Native Leukotriene A4 Hydrolase from Saccharomyces cerevisiae | Descriptor: | GLUTATHIONE, GLYCEROL, LEUKOTRIENE A-4 HYDROLASE, ... | Authors: | Helgstrand, C, Hasan, M, Usyal, H, Haeggstrom, J.Z, Thunnissen, M.M.G.M. | Deposit date: | 2010-08-31 | Release date: | 2010-12-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | A Leukotriene A(4) Hydrolase-Related Aminopeptidase from Yeast Undergoes Induced Fit Upon Inhibitor Binding. J.Mol.Biol., 406, 2011
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2XWG
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![BU of 2xwg by Molmil](/molmil-images/mine/2xwg) | |
2XYE
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![BU of 2xye by Molmil](/molmil-images/mine/2xye) | HIV-1 Inhibitors with a Tertiary-Alcohol-containing Transition-State Mimic and various P2 and P1 prime Substituents | Descriptor: | METHYL N-[(2S)-1-[2-[(4R)-5-[[(2S)-3,3-DIMETHYL-1-METHYLAMINO-1-OXO-BUTAN-2-YL]AMINO]-4-HYDROXY-5-OXO-4-(PHENYLMETHYL)PENTYL]-2-[(4-PHENYLPHENYL)METHYL]HYDRAZINYL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE, PROTEASE | Authors: | Ohrngren, P, Wu, X, Persson, M, Ekegren, J.K, Wallberg, H, Rosenquist, A, Samuelsson, B, Unge, T, Larhed, M. | Deposit date: | 2010-11-17 | Release date: | 2011-12-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | HIV-1 Protease Inhibitors with a Tertiary Alcohol Containing Transition-State Mimic and Various P2 and P1' Substituents Med.Chem.Commun., 2, 2011
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2XPZ
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![BU of 2xpz by Molmil](/molmil-images/mine/2xpz) | Structure of native yeast LTA4 hydrolase | Descriptor: | (R,R)-2,3-BUTANEDIOL, LEUKOTRIENE A-4 HYDROLASE, POLYETHYLENE GLYCOL (N=34), ... | Authors: | Helgstrand, C, Hasan, M, Usyal, H, Haeggstrom, J.Z, Thunnissen, M.M.G.M. | Deposit date: | 2010-08-31 | Release date: | 2010-12-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A Leukotriene A(4) Hydrolase-Related Aminopeptidase from Yeast Undergoes Induced Fit Upon Inhibitor Binding. J.Mol.Biol., 406, 2011
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2XN0
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![BU of 2xn0 by Molmil](/molmil-images/mine/2xn0) | Structure of alpha-galactosidase from Lactobacillus acidophilus NCFM, PtCl4 derivative | Descriptor: | ALPHA-GALACTOSIDASE, GLYCEROL, PLATINUM (II) ION | Authors: | Fredslund, F, Abou Hachem, M, Larsen, R.J, Sorensen, P.G, Lo Leggio, L, Svensson, B. | Deposit date: | 2010-07-30 | Release date: | 2011-08-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of Alpha-Galactosidase from Lactobacillus Acidophilus Ncfm: Insight Into Tetramer Formation and Substrate Binding. J.Mol.Biol., 412, 2011
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2Y6K
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![BU of 2y6k by Molmil](/molmil-images/mine/2y6k) | Xylotetraose bound to X-2 engineered mutated CBM4-2 Carbohydrate Binding Module from a Thermostable Rhodothermus marinus Xylanase | Descriptor: | CALCIUM ION, CITRIC ACID, XYLANASE, ... | Authors: | von Schantz, L, Hakansson, M, Logan, D.T, Walse, B, Osterlin, J, Nordberg-Karlsson, E, Ohlin, M. | Deposit date: | 2011-01-24 | Release date: | 2012-03-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Structural basis for carbohydrate-binding specificity--a comparative assessment of two engineered carbohydrate-binding modules. Glycobiology, 22, 2012
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6HUZ
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![BU of 6huz by Molmil](/molmil-images/mine/6huz) | HmdII from Desulfurobacterium thermolithotrophum reconstituted with Fe-guanylylpyridinol (FeGP) cofactor and co-crystallized with methenyl-tetrahydrofolate form B | Descriptor: | 1,2-ETHANEDIOL, 5,10-Methenyltetrahydrofolate, Coenzyme F420-dependent N(5),N(10)-methenyltetrahydromethanopterin reductase-related protein, ... | Authors: | Watanabe, T, Wagner, T, Huang, G, Kahnt, J, Ataka, K, Ermler, U, Shima, S. | Deposit date: | 2018-10-09 | Release date: | 2019-01-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The Bacterial [Fe]-Hydrogenase Paralog HmdII Uses Tetrahydrofolate Derivatives as Substrates. Angew. Chem. Int. Ed. Engl., 58, 2019
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6HAC
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![BU of 6hac by Molmil](/molmil-images/mine/6hac) | Crystal structure of [Fe]-hydrogenase (Hmd) holoenzyme from Methanococcus aeolicus (open form) | Descriptor: | 5,10-methenyltetrahydromethanopterin hydrogenase, GLYCEROL, PENTAETHYLENE GLYCOL, ... | Authors: | Huang, G, Wagner, T, Wodrich, M.D, Ataka, K, Bill, E, Ermler, U, Hu, X, Shima, S. | Deposit date: | 2018-08-07 | Release date: | 2019-08-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The atomic-resolution crystal structure of activated [Fe]-hydrogenase Nat Catal, 2019
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6HR7
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![BU of 6hr7 by Molmil](/molmil-images/mine/6hr7) | HMG-CoA reductase from Methanothermococcus thermolithotrophicus apo form at 2.4 A resolution | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHLORIDE ION, GLYCEROL, ... | Authors: | Wagner, T, Voegeli, B, Erb, T.J, Shima, S. | Deposit date: | 2018-09-26 | Release date: | 2019-02-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of archaeal HMG-CoA reductase: insights into structural changes of the C-terminal helix of the class-I enzyme. Febs Lett., 593, 2019
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6HUY
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![BU of 6huy by Molmil](/molmil-images/mine/6huy) | HmdII from Desulfurobacterium thermolithotrophum reconstitued with Fe-guanylylpyridinol (FeGP) cofactor and co-crystallized with methenyl-tetrahydrofolate form A | Descriptor: | 5,10-Methenyltetrahydrofolate, Coenzyme F420-dependent N(5),N(10)-methenyltetrahydromethanopterin reductase-related protein, DIMETHYL SULFOXIDE, ... | Authors: | Watanabe, T, Wagner, T, Huang, G, Kahnt, J, Ataka, K, Ermler, U, Shima, S. | Deposit date: | 2018-10-09 | Release date: | 2019-01-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The Bacterial [Fe]-Hydrogenase Paralog HmdII Uses Tetrahydrofolate Derivatives as Substrates. Angew. Chem. Int. Ed. Engl., 58, 2019
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6HUX
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![BU of 6hux by Molmil](/molmil-images/mine/6hux) | HmdII from Methanocaldococcus jannaschii reconstitued with Fe-guanylylpyridinol (FeGP) cofactor and co-crystallized with methenyl-tetrahydromethanopterin at 2.5 A resolution | Descriptor: | 1,2-ETHANEDIOL, 1-{4-[(6S,6aR,7R)-3-amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydro-8H-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl}-1-deoxy-5-O-{5-O-[(S)-{[(1S)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-ribitol, ACETATE ION, ... | Authors: | Watanabe, T, Wagner, T, Huang, G, Kahnt, J, Ataka, K, Ermler, U, Shima, S. | Deposit date: | 2018-10-09 | Release date: | 2019-01-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Bacterial [Fe]-Hydrogenase Paralog HmdII Uses Tetrahydrofolate Derivatives as Substrates. Angew. Chem. Int. Ed. Engl., 58, 2019
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5QY3
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![BU of 5qy3 by Molmil](/molmil-images/mine/5qy3) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry B03a | Descriptor: | 2-[(1~{S})-1-azanylpropyl]phenol, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-02-12 | Release date: | 2020-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5QY2
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![BU of 5qy2 by Molmil](/molmil-images/mine/5qy2) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry A12b | Descriptor: | 3-(propan-2-yl)-1,2,4-oxadiazol-5(4H)-one, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-02-12 | Release date: | 2020-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5QY4
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![BU of 5qy4 by Molmil](/molmil-images/mine/5qy4) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry B08a | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, R-1,2-PROPANEDIOL, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-02-12 | Release date: | 2020-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5QY6
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![BU of 5qy6 by Molmil](/molmil-images/mine/5qy6) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry C05a | Descriptor: | 2-methoxy-4-[[(4~{S},5~{S})-2,4,5-tris(2-methoxypyridin-4-yl)imidazolidin-1-yl]methyl]pyridine, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-02-12 | Release date: | 2020-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5QY5
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![BU of 5qy5 by Molmil](/molmil-images/mine/5qy5) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry C02a | Descriptor: | 2,4,5-tris(fluoranyl)-3-methoxy-benzoic acid, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-02-12 | Release date: | 2020-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5QY1
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![BU of 5qy1 by Molmil](/molmil-images/mine/5qy1) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry A07a | Descriptor: | (2-aminopyridin-3-yl)methanol, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-02-12 | Release date: | 2020-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5QY7
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![BU of 5qy7 by Molmil](/molmil-images/mine/5qy7) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry C08a | Descriptor: | (1S,3S)-2-methyl-2,3-dihydro-1H-isoindole-1,3-diol, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-02-12 | Release date: | 2020-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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