4JLG
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![BU of 4jlg by Molmil](/molmil-images/mine/4jlg) | SETD7 in complex with inhibitor (R)-PFI-2 and S-adenosyl-methionine | Descriptor: | 8-fluoro-N-{(2R)-1-oxo-1-(pyrrolidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-yl}-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide, Histone-lysine N-methyltransferase SETD7, S-ADENOSYLMETHIONINE, ... | Authors: | Dong, A, Wu, H, Zeng, H, El Bakkouri, M, Barsyte, D, Vedadi, M, Tatlock, J, Owen, D, Bunnage, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2013-03-12 | Release date: | 2013-04-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.896 Å) | Cite: | (R)-PFI-2 is a potent and selective inhibitor of SETD7 methyltransferase activity in cells. Proc.Natl.Acad.Sci.USA, 111, 2014
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4JFQ
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![BU of 4jfq by Molmil](/molmil-images/mine/4jfq) | A2 HLA complex with L8A heteroclitic variant of Melanoma peptide | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Rizkallah, P.J, Cole, D.K, Madura, F, Sewell, A.K, Baker, B.M. | Deposit date: | 2013-02-28 | Release date: | 2013-05-29 | Last modified: | 2013-07-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | T-cell receptor specificity maintained by altered thermodynamics. J.Biol.Chem., 288, 2013
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4JH9
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![BU of 4jh9 by Molmil](/molmil-images/mine/4jh9) | Crystal Structure of FosB from Bacillus cereus with Maganese and Potential BSH-Fosfomycin Product | Descriptor: | (2R)-2-azanyl-3-[(1R,2S)-2-oxidanyl-1-phosphono-propyl]sulfanyl-propanoic acid, MANGANESE (II) ION, Metallothiol transferase FosB | Authors: | Thompson, M.K, Harp, J, Keithly, M.E, Jagessar, K, Cook, P.D, Armstrong, R.N. | Deposit date: | 2013-03-04 | Release date: | 2013-10-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structural and Chemical Aspects of Resistance to the Antibiotic Fosfomycin Conferred by FosB from Bacillus cereus. Biochemistry, 52, 2013
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4JHM
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![BU of 4jhm by Molmil](/molmil-images/mine/4jhm) | Crystal structure of a putative mandelate racemase/muconate lactonizing enzyme from Pseudovibrio sp. | Descriptor: | Mandelate racemase / muconate lactonizing enzyme, C-terminal domain protein | Authors: | Hegde, R.P, Toro, R, Burley, S.K, Almo, S.C, Ramagopal, U.A, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-03-05 | Release date: | 2013-05-01 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of a putative mandelate racemase/muconate lactonizing enzyme from Pseudovibrio sp. To be published
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4JR4
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![BU of 4jr4 by Molmil](/molmil-images/mine/4jr4) | Crystal structure of Mtb DsbA (Oxidized) | Descriptor: | Possible conserved membrane or secreted protein, SULFATE ION | Authors: | Wang, L. | Deposit date: | 2013-03-21 | Release date: | 2013-07-17 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.498 Å) | Cite: | Structure analysis of the extracellular domain reveals disulfide bond forming-protein properties of Mycobacterium tuberculosis Rv2969c. Protein Cell, 4, 2013
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4JJ4
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![BU of 4jj4 by Molmil](/molmil-images/mine/4jj4) | Crystal structure of a catalytic mutant of Axe2 (Axe2-D191A), an acetylxylan esterase from Geobacillus stearothermophilus | Descriptor: | Acetyl xylan esterase, CHLORIDE ION, GLYCEROL | Authors: | Lansky, S, Alalouf, O, Solomon, V, Alhassid, A, Belrahli, H, Govada, L, Chayan, N.E, Shoham, Y, Shoham, G. | Deposit date: | 2013-03-07 | Release date: | 2014-03-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | To be published To be Published
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4JSP
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![BU of 4jsp by Molmil](/molmil-images/mine/4jsp) | structure of mTORDeltaN-mLST8-ATPgammaS-Mg complex | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase mTOR, ... | Authors: | Pavletich, N.P, Yang, H. | Deposit date: | 2013-03-22 | Release date: | 2013-05-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | mTOR kinase structure, mechanism and regulation. Nature, 497, 2013
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4JKE
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![BU of 4jke by Molmil](/molmil-images/mine/4jke) | Open and closed forms of T1789P human PRP8 RNase H-like domain with bound Mg ion | Descriptor: | MAGNESIUM ION, Pre-mRNA-processing-splicing factor 8 | Authors: | Schellenberg, M.J, Wu, T, Ritchie, D.B, Atta, K.A, MacMillan, A.M. | Deposit date: | 2013-03-09 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | A conformational switch in PRP8 mediates metal ion coordination that promotes pre-mRNA exon ligation. Nat.Struct.Mol.Biol., 20, 2013
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4JKO
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![BU of 4jko by Molmil](/molmil-images/mine/4jko) | Crystal structure of a catalytic mutant of Axe2 (Axe2_S15A), an acetylxylan esterase from Geobacillus stearothermophilus | Descriptor: | Acetyl xylan esterase, GLYCEROL, PHOSPHATE ION | Authors: | Azulay, D, Lansky, S, Alalouf, O, Solomon, V, Alhassid, A, Belrahli, H, Govada, L, Chayan, N.E, Shoham, Y, Shoham, G. | Deposit date: | 2013-03-11 | Release date: | 2014-02-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A unique octameric structure of Axe2, an intracellular acetyl-xylooligosaccharide esterase from Geobacillus stearothermophilus. Acta Crystallogr.,Sect.D, 70, 2014
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4J9A
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![BU of 4j9a by Molmil](/molmil-images/mine/4j9a) | Engineered Digoxigenin binder DIG10.3 | Descriptor: | DIGOXIGENIN, Engineered Digoxigenin binder protein DIG10.3 | Authors: | Stoddard, B.L, Doyle, L.A. | Deposit date: | 2013-02-15 | Release date: | 2013-06-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Computational design of ligand-binding proteins with high affinity and selectivity. Nature, 501, 2013
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4JBL
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![BU of 4jbl by Molmil](/molmil-images/mine/4jbl) | |
4JN8
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![BU of 4jn8 by Molmil](/molmil-images/mine/4jn8) | Crystal structure of an enolase (putative galactarate dehydratase, target efi-500740) from agrobacterium radiobacter, bound sulfate, no metal ion, ordered active site | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, ENOLASE, ... | Authors: | Vetting, M.W, Groninger-Poe, F, Bouvier, J.T, Wichelecki, D, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Stead, M, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-03-14 | Release date: | 2013-04-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of an enolase (putative galactarate dehydratase, target efi-500740) from agrobacterium radiobacter, bound sulfate, no metal ion, ordered active site To be Published
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4JBV
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![BU of 4jbv by Molmil](/molmil-images/mine/4jbv) | |
4JOB
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![BU of 4job by Molmil](/molmil-images/mine/4job) | |
4JKA
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![BU of 4jka by Molmil](/molmil-images/mine/4jka) | Open and closed forms of R1865A human PRP8 RNase H-like domain with bound Co ion | Descriptor: | CHLORIDE ION, COBALT (II) ION, Pre-mRNA-processing-splicing factor 8 | Authors: | Schellenberg, M.J, Wu, T, Ritchie, D.B, Atta, K.A, MacMillan, A.M. | Deposit date: | 2013-03-09 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | A conformational switch in PRP8 mediates metal ion coordination that promotes pre-mRNA exon ligation. Nat.Struct.Mol.Biol., 20, 2013
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2A03
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![BU of 2a03 by Molmil](/molmil-images/mine/2a03) | |
4JN7
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![BU of 4jn7 by Molmil](/molmil-images/mine/4jn7) | CRYSTAL STRUCTURE OF AN ENOLASE (PUTATIVE GALACTARATE DEHYDRATASE, TARGET EFI-500740) FROM AGROBACTERIUM RADIOBACTER, BOUND NA and L-MALATE, ORDERED ACTIVE SITE | Descriptor: | (2S)-2-hydroxybutanedioic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Vetting, M.W, Groninger-Poe, F, Bouvier, J.T, Wichelecki, D, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Stead, M, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-03-14 | Release date: | 2013-04-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | CRYSTAL STRUCTURE OF AN ENOLASE (PUTATIVE GALACTARATE DEHYDRATASE, TARGET EFI-500740) FROM AGROBACTERIUM RADIOBACTER, BOUND NA and L-MALATE, ORDERED ACTIVE SITE To be Published
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4JOC
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![BU of 4joc by Molmil](/molmil-images/mine/4joc) | |
2A94
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![BU of 2a94 by Molmil](/molmil-images/mine/2a94) | Structure of Plasmodium falciparum lactate dehydrogenase complexed to APADH. | Descriptor: | ACETYL PYRIDINE ADENINE DINUCLEOTIDE, REDUCED, L-lactate dehydrogenase | Authors: | Chaikuad, A, Fairweather, V, Conners, R, Joseph-Horne, T, Turgut-Balik, D, Brady, R.L. | Deposit date: | 2005-07-11 | Release date: | 2006-01-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of Lactate Dehydrogenase from Plasmodium vivax: Complexes with NADH and APADH. Biochemistry, 44, 2005
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4JT5
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![BU of 4jt5 by Molmil](/molmil-images/mine/4jt5) | mTORdeltaN-mLST8-pp242 complex | Descriptor: | 2-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol, Serine/threonine-protein kinase mTOR, Target of rapamycin complex subunit LST8 | Authors: | Pavletich, N.P, Yang, H. | Deposit date: | 2013-03-22 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | mTOR kinase structure, mechanism and regulation. Nature, 497, 2013
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4JWV
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![BU of 4jwv by Molmil](/molmil-images/mine/4jwv) | Crystal Structure of putative short chain enoyl-CoA hydratase from Novosphingobium aromaticivorans DSM 12444 | Descriptor: | Short chain enoyl-CoA hydratase | Authors: | Cooper, D.R, Mikolajczak, K, Cymborowski, M, Grabowski, M, Ahmed, M, Stead, M, Hillerich, B, Seidel, R, Zimmerman, M, Bonanno, J.B, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-03-27 | Release date: | 2013-05-29 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of putative short chain enoyl-CoA hydratase from Novosphingobium aromaticivorans DSM 12444 To be Published
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2AF3
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![BU of 2af3 by Molmil](/molmil-images/mine/2af3) | Phosphotransacetylase from Methanosarcina thermophila soaked with Coenzyme A | Descriptor: | COENZYME A, Phosphate acetyltransferase, SULFATE ION | Authors: | Lawrence, S.H, Luther, K.B, Ferry, J.G, Schindelin, H. | Deposit date: | 2005-07-25 | Release date: | 2006-01-24 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and functional studies suggest a catalytic mechanism for the phosphotransacetylase from Methanosarcina thermophila. J.Bacteriol., 188, 2006
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2A0M
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2AA3
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![BU of 2aa3 by Molmil](/molmil-images/mine/2aa3) | Crystal structure of Plasmodium vivax lactate dehydrogenase complex with APADH | Descriptor: | ACETYL PYRIDINE ADENINE DINUCLEOTIDE, REDUCED, L-lactate dehydrogenase, ... | Authors: | Chaikuad, A, Fairweather, V, Conners, R, Joseph-Horne, T, Turgut-Balik, D, Brady, R.L. | Deposit date: | 2005-07-13 | Release date: | 2006-01-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure of Lactate Dehydrogenase from Plasmodium vivax: Complexes with NADH and APADH. Biochemistry, 44, 2005
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4JDE
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![BU of 4jde by Molmil](/molmil-images/mine/4jde) | Crystal structure of PUD-1/PUD-2 heterodimer | Descriptor: | CHLORIDE ION, GLYCEROL, Protein F15E11.1, ... | Authors: | Luo, S, Ye, K. | Deposit date: | 2013-02-25 | Release date: | 2013-11-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Characterization of PUD-1 and PUD-2, two proteins up-regulated in a long-lived daf-2 mutant. Plos One, 8, 2013
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