5EXJ
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![BU of 5exj by Molmil](/molmil-images/mine/5exj) | Crystal structure of M. tuberculosis lipoyl synthase at 1.64 A resolution | Descriptor: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, IRON/SULFUR CLUSTER, Lipoyl synthase | Authors: | McLaughlin, M.I, Lanz, N.D, Goldman, P.J, Lee, K.-H, Booker, S.J, Drennan, C.L. | Deposit date: | 2015-11-23 | Release date: | 2016-08-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Crystallographic snapshots of sulfur insertion by lipoyl synthase. Proc.Natl.Acad.Sci.USA, 113, 2016
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7PGE
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![BU of 7pge by Molmil](/molmil-images/mine/7pge) | copper transporter PcoB | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Copper resistance protein B, LAURYL DIMETHYLAMINE-N-OXIDE, ... | Authors: | Li, P, Gourdon, P.E. | Deposit date: | 2021-08-13 | Release date: | 2022-07-06 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | PcoB is a defense outer membrane protein that facilitates cellular uptake of copper. Protein Sci., 31, 2022
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7PID
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![BU of 7pid by Molmil](/molmil-images/mine/7pid) | Protein kinase A catalytic subunit in complex with PKI5-24 and EN060 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-azanyl-5-[3-[(3R)-morpholin-3-yl]phenyl]benzenecarbonitrile, cAMP-dependent protein kinase catalytic subunit alpha, ... | Authors: | Glinca, S, Mueller, J.M, Ruf, M, Merkl, S. | Deposit date: | 2021-08-19 | Release date: | 2022-09-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.496 Å) | Cite: | Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces. J.Med.Chem., 65, 2022
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4XR7
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![BU of 4xr7 by Molmil](/molmil-images/mine/4xr7) | Structure of the Saccharomyces cerevisiae PAN2-PAN3 core complex | Descriptor: | PAB-dependent poly(A)-specific ribonuclease subunit PAN2, PAB-dependent poly(A)-specific ribonuclease subunit PAN3 | Authors: | Schafer, I.B, Rode, M, Bonneau, F, Schussler, S, Conti, E. | Deposit date: | 2015-01-20 | Release date: | 2015-01-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.796 Å) | Cite: | The structure of the Pan2-Pan3 core complex reveals cross-talk between deadenylase and pseudokinase. Nat. Struct. Mol. Biol., 21, 2014
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5EYB
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![BU of 5eyb by Molmil](/molmil-images/mine/5eyb) | X-ray Structure of Reb1-Ter Complex | Descriptor: | DNA (26-MER), DNA-binding protein reb1 | Authors: | Jaiswal, R, Choudhury, M, Zaman, S, Singh, S, Santosh, V, Bastia, D, Escalante, C.R. | Deposit date: | 2015-11-24 | Release date: | 2016-04-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Functional architecture of the Reb1-Ter complex of Schizosaccharomyces pombe. Proc.Natl.Acad.Sci.USA, 113, 2016
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3F1A
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![BU of 3f1a by Molmil](/molmil-images/mine/3f1a) | |
5EXI
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![BU of 5exi by Molmil](/molmil-images/mine/5exi) | Crystal structure of M. tuberculosis lipoyl synthase at 2.28 A resolution | Descriptor: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, IRON/SULFUR CLUSTER, Lipoyl synthase | Authors: | McLaughlin, M.I, Lanz, N.D, Goldman, P.J, Lee, K.-H, Booker, S.J, Drennan, C.L. | Deposit date: | 2015-11-23 | Release date: | 2016-08-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Crystallographic snapshots of sulfur insertion by lipoyl synthase. Proc.Natl.Acad.Sci.USA, 113, 2016
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3F19
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![BU of 3f19 by Molmil](/molmil-images/mine/3f19) | |
4LVC
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![BU of 4lvc by Molmil](/molmil-images/mine/4lvc) | Crystal structure of S-adenosyl-L-homocysteine hydrolase from Bradyrhizobium elkanii in complex with adenosine | Descriptor: | ACETATE ION, ADENOSINE, AMMONIUM ION, ... | Authors: | Manszewski, T, Singh, K, Imiolczyk, B, Jaskolski, M. | Deposit date: | 2013-07-26 | Release date: | 2014-07-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | An enzyme captured in two conformational states: crystal structure of S-adenosyl-L-homocysteine hydrolase from Bradyrhizobium elkanii. Acta Crystallogr.,Sect.D, 71, 2015
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1IO4
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![BU of 1io4 by Molmil](/molmil-images/mine/1io4) | |
5EXK
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![BU of 5exk by Molmil](/molmil-images/mine/5exk) | Crystal structure of M. tuberculosis lipoyl synthase with 6-thiooctanoyl peptide intermediate | Descriptor: | 5'-DEOXYADENOSINE, CHLORIDE ION, FE3-S4 CLUSTER, ... | Authors: | McLaughlin, M.I, Lanz, N.D, Goldman, P.J, Lee, K.-H, Booker, S.J, Drennan, C.L. | Deposit date: | 2015-11-23 | Release date: | 2016-08-10 | Last modified: | 2019-11-27 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Crystallographic snapshots of sulfur insertion by lipoyl synthase. Proc.Natl.Acad.Sci.USA, 113, 2016
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5IT9
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![BU of 5it9 by Molmil](/molmil-images/mine/5it9) | Structure of the yeast Kluyveromyces lactis small ribosomal subunit in complex with the cricket paralysis virus IRES. | Descriptor: | 18S ribosomal RNA, Cricket paralysis virus IRES RNA, MAGNESIUM ION, ... | Authors: | Murray, J, Savva, C.G, Shin, B.S, Dever, T.E, Ramakrishnan, V, Fernandez, I.S. | Deposit date: | 2016-03-16 | Release date: | 2016-05-18 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural characterization of ribosome recruitment and translocation by type IV IRES. Elife, 5, 2016
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3F16
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![BU of 3f16 by Molmil](/molmil-images/mine/3f16) | |
7Q3J
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![BU of 7q3j by Molmil](/molmil-images/mine/7q3j) | Computationally designed thioredoxin subjected to stability optimizing mutations. | Descriptor: | GLYCEROL, MM9 | Authors: | Norrild, R.K, Johansson, K.E, O'Shea, C, Lindorff-Larsen, K, Winther, J.R, Morth, J.P. | Deposit date: | 2021-10-27 | Release date: | 2022-11-16 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Increasing protein stability by inferring substitution effects from high-throughput experiments. Cell Rep Methods, 2, 2022
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3F17
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7Q3K
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![BU of 7q3k by Molmil](/molmil-images/mine/7q3k) | Computationally designed thioredoxin subjected to stability optimizing mutations. | Descriptor: | SULFATE ION, eMM9 | Authors: | Norrild, R.K, Johansson, K.E, O'Shea, C, Lindorff-Larsen, K, Winther, J.R, Morth, J.P. | Deposit date: | 2021-10-27 | Release date: | 2022-11-16 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Increasing protein stability by inferring substitution effects from high-throughput experiments. Cell Rep Methods, 2, 2022
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3F15
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![BU of 3f15 by Molmil](/molmil-images/mine/3f15) | |
5IZL
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![BU of 5izl by Molmil](/molmil-images/mine/5izl) | The crystal structure of human eEFSec in complex with GDPCP | Descriptor: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Selenocysteine-specific elongation factor | Authors: | Dobosz-Bartoszek, M, Simonovic, M. | Deposit date: | 2016-03-25 | Release date: | 2016-10-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Crystal structures of the human elongation factor eEFSec suggest a non-canonical mechanism for selenocysteine incorporation. Nat Commun, 7, 2016
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3JQ7
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![BU of 3jq7 by Molmil](/molmil-images/mine/3jq7) | Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 6-phenylpteridine-2,4,7-triamine (DX2) | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6-phenylpteridine-2,4,7-triamine, ACETATE ION, ... | Authors: | Tulloch, L.B, Hunter, W.N. | Deposit date: | 2009-09-06 | Release date: | 2009-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases. J.Med.Chem., 53, 2010
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3JQF
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![BU of 3jqf by Molmil](/molmil-images/mine/3jqf) | Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 1,3,5-triazine-2,4,6-triamine (AX2) | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, 1,3,5-triazine-2,4,6-triamine, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ... | Authors: | Tulloch, L.B, Hunter, W.N. | Deposit date: | 2009-09-06 | Release date: | 2009-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases. J.Med.Chem., 53, 2010
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5FLP
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![BU of 5flp by Molmil](/molmil-images/mine/5flp) | Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | Descriptor: | 5-[(2-chloranylphenoxy)methyl]-1H-1,2,3,4-tetrazole, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ... | Authors: | Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. | Deposit date: | 2015-10-28 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
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7QRO
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5FLS
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![BU of 5fls by Molmil](/molmil-images/mine/5fls) | Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | Descriptor: | (E)-3-(4-chlorophenyl)but-2-enoic acid, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ... | Authors: | Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. | Deposit date: | 2015-10-28 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
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5FNI
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![BU of 5fni by Molmil](/molmil-images/mine/5fni) | Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | Descriptor: | 5-[[3,4-bis(chloranyl)phenoxy]methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ... | Authors: | Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. | Deposit date: | 2015-11-15 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
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3F18
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![BU of 3f18 by Molmil](/molmil-images/mine/3f18) | |