4DUQ
 
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4DBG
 | | Crystal structure of HOIL-1L-UBL complexed with a HOIP-UBA derivative | | Descriptor: | RING finger protein 31, RanBP-type and C3HC4-type zinc finger-containing protein 1 | | Authors: | Yagi, H, Hiromoto, T, Mizushima, T, Kurimoto, E, Kato, K. | | Deposit date: | 2012-01-15 | | Release date: | 2012-04-04 | | Last modified: | 2012-05-16 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | A non-canonical UBA-UBL interaction forms the linear-ubiquitin-chain assembly complex
Embo Rep., 13, 2012
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4DPF
 | | BACE-1 in complex with a HEA-macrocyclic type inhibitor | | Descriptor: | Beta-secretase 1, N-[(4S,8E,11S)-4-[(1R)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-2,13-dioxo-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraen-16-yl]-N-methylmethanesulfonamide | | Authors: | Lindberg, J, Borkakoti, N, Derbyshire, D. | | Deposit date: | 2012-02-13 | | Release date: | 2012-07-11 | | Last modified: | 2013-01-02 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Highly potent macrocyclic BACE-1 inhibitors incorporating a hydroxyethylamine core: design, synthesis and X-ray crystal structures of enzyme inhibitor complexes.
Bioorg.Med.Chem., 20, 2012
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4DQ8
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4DHO
 | | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | | Descriptor: | (2-{2-[(3-methoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid, 14-3-3 protein sigma, CHLORIDE ION, ... | | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | | Deposit date: | 2012-01-30 | | Release date: | 2013-07-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
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4DI9
 | | CRYSTAL STRUCTURE OF THE D248A mutant of 2-PYRONE-4,6-DICARBOXYLIC ACID HYDROLASE FROM SPHINGOMONAS PAUCIMOBILIS complexed with substrate at pH 6.5 | | Descriptor: | (1E,3Z)-4-hydroxybuta-1,3-diene-1,2,4-tricarboxylic acid, 2-pyrone-4,6-dicarbaxylate hydrolase, ACETATE ION | | Authors: | Malashkevich, V.N, Toro, R, Hobbs, M.E, Raushel, F.M, Almo, S.C. | | Deposit date: | 2012-01-11 | | Release date: | 2012-10-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structure and Catalytic Mechanism of LigI: Insight into the Amidohydrolase Enzymes of cog3618 and Lignin Degradation.
Biochemistry, 51, 2012
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4DR0
 | | Crystal structure of Bacillus subtilis dimanganese(II) NrdF | | Descriptor: | MANGANESE (II) ION, Ribonucleoside-diphosphate reductase subunit beta, SULFATE ION | | Authors: | Boal, A.K, Cotruvo Jr, J.A, Stubbe, J, Rosenzweig, A.C. | | Deposit date: | 2012-02-16 | | Release date: | 2012-04-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Dimanganese(II) Site of Bacillus subtilis Class Ib Ribonucleotide Reductase.
Biochemistry, 51, 2012
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4DM0
 | | TN5 transposase: 20MER OUTSIDE END 2 MN complex | | Descriptor: | 1,2-ETHANEDIOL, DNA NON-TRANSFERRED STRAND, DNA TRANSFERRED STRAND, ... | | Authors: | Klenchin, V.A, Lovell, S, Goryshin, I.Y, Reznikoff, W.R, Rayment, I. | | Deposit date: | 2012-02-06 | | Release date: | 2012-02-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Two-metal active site binding of a TN5 transposase synaptic complex
Nat.Struct.Biol., 9, 2002
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4DNH
 | | Crystal structure of hypothetical protein SMc04132 from Sinorhizobium meliloti 1021 | | Descriptor: | GLYCEROL, Uncharacterized protein | | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Seidel, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2012-02-08 | | Release date: | 2012-03-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of hypothetical protein SMc04132 from Sinorhizobium meliloti 1021
To be Published
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4DON
 | | Brd4 Bromodomain 1 complex with a fragment 3,4-Dihydro-3-methyl-2(1H)-quinazolinon | | Descriptor: | 3-methyl-3,4-dihydroquinazolin-2(1H)-one, Bromodomain-containing protein 4 | | Authors: | Xiong, B, Cao, D.Y, Chen, W.Y, Chen, T.T, Xu, Y.C, Shen, J.K. | | Deposit date: | 2012-02-09 | | Release date: | 2013-02-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Brd4 Bromodomain 1 complex with a fragment 3,4-Dihydro-3-methyl-2(1H)-quinazolinon
To be Published
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4DQV
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4DVN
 | | Crystal structure of the glycoprotein Erns from the pestivirus BVDV-1 in complex with 2'-UMP | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, E(rns) glycoprotein, ... | | Authors: | Krey, T, Bontems, F, Vonrhein, C, Vaney, M.-C, Bricogne, G, Ruemenapf, T, Rey, F.A. | | Deposit date: | 2012-02-23 | | Release date: | 2012-05-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Crystal Structure of the Pestivirus Envelope Glycoprotein E(rns) and Mechanistic Analysis of Its Ribonuclease Activity.
Structure, 20, 2012
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4DW5
 | | Crystal structure of the glycoprotein Erns from the pestivirus BVDV-1 in complex with a non-cleavable CpU dinucleotide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, E(rns) glycoprotein, ... | | Authors: | Krey, T, Bontems, F, Vonrhein, C, Vaney, M.-C, Bricogne, G, Ruemenapf, T, Rey, F.A. | | Deposit date: | 2012-02-24 | | Release date: | 2012-05-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Crystal Structure of the Pestivirus Envelope Glycoprotein E(rns) and Mechanistic Analysis of Its Ribonuclease Activity.
Structure, 20, 2012
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4DA9
 | | Crystal structure of putative Short-chain dehydrogenase/reductase from Sinorhizobium meliloti 1021 | | Descriptor: | SULFATE ION, Short-chain dehydrogenase/reductase | | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Seidel, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2012-01-12 | | Release date: | 2012-01-25 | | Last modified: | 2014-04-02 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of putative Short-chain dehydrogenase/reductase from Sinorhizobium meliloti 1021
To be Published
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4DVL
 | | Crystal structure of the glycoprotein Erns from the pestivirus BVDV-1 in complex with 2'-3'-cyclo-UMP | | Descriptor: | 1-[(2S,3aS,4S,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidine-2,4( 1H,3H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Krey, T, Bontems, F, Vonrhein, C, Vaney, M.-C, Bricogne, G, Ruemenapf, T, Rey, F.A. | | Deposit date: | 2012-02-23 | | Release date: | 2012-05-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal Structure of the Pestivirus Envelope Glycoprotein E(rns) and Mechanistic Analysis of Its Ribonuclease Activity.
Structure, 20, 2012
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4DCH
 | | Insights into Glucokinase Activation Mechanism: Observation of Multiple Distinct Protein Conformations | | Descriptor: | (2R)-3-cyclopentyl-2-[4-(methylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide, Glucokinase, IODIDE ION, ... | | Authors: | Greasley, S.E, Hickey, M, Feng, J, Garcia, E. | | Deposit date: | 2012-01-17 | | Release date: | 2012-02-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS.
J.Biol.Chem., 287, 2012
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4DW7
 | | Crystal structure of an active-site mutant of the glycoprotein Erns from the pestivirus BVDV-1 in complex with a CpU dinucleotide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5'-R(*CP*U)-3', ... | | Authors: | Krey, T, Bontems, F, Vonrhein, C, Vaney, M.-C, Bricogne, G, Ruemenapf, T, Rey, F.A. | | Deposit date: | 2012-02-24 | | Release date: | 2012-05-23 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (3.08 Å) | | Cite: | Crystal Structure of the Pestivirus Envelope Glycoprotein E(rns) and Mechanistic Analysis of Its Ribonuclease Activity.
Structure, 20, 2012
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4DWD
 | | Crystal structure of mandelate racemase/muconate lactonizing protein from Paracoccus denitrificans PD1222 complexed with magnesium | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme, ... | | Authors: | Malashkevich, V.N, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-02-24 | | Release date: | 2012-03-14 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of mandelate racemase/muconate lactonizing protein from Paracoccus denitrificans PD1222 complexed with magnesium
To be Published
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4DWN
 | | Crystal Structure of Human BinCARD CARD | | Descriptor: | Bcl10-interacting CARD protein, SULFATE ION | | Authors: | Chen, K.-E, Kobe, B, Martin, J.L. | | Deposit date: | 2012-02-26 | | Release date: | 2013-02-06 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.581 Å) | | Cite: | The structure of the caspase recruitment domain of BinCARD reveals that all three cysteines can be oxidized.
Acta Crystallogr.,Sect.D, 69, 2013
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4DHE
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4DHQ
 | | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | | Descriptor: | (2-{2-[(3-chlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid, 14-3-3 protein sigma, CHLORIDE ION, ... | | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | | Deposit date: | 2012-01-30 | | Release date: | 2013-07-31 | | Last modified: | 2013-09-04 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
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4DLM
 | | Crystal structure of an amidohydrolase (COG3618) from burkholderia multivorans (TARGET EFI-500235) with bound ZN, space group P212121 | | Descriptor: | Amidohydrolase 2, ZINC ION | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Seidel, R.D, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Al Obaidi, N.F, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Raushel, F.M, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-02-06 | | Release date: | 2012-02-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.925 Å) | | Cite: | Crystal structure of an amidohydrolase (COG3618) from burkholderia multivorans (TARGET EFI-500235) with bound ZN, space group P212121
to be published
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4DLK
 | | Crystal Structure of ATP-Ca++ complex of purK: N5-carboxyaminoimidazole ribonucleotide synthetase | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, PHOSPHATE ION, ... | | Authors: | Fung, L.W, Tuntland, M.L, Santarsiero, B.D, Johnson, M.E. | | Deposit date: | 2012-02-06 | | Release date: | 2013-02-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Elucidation of the bicarbonate binding site and insights into the carboxylation mechanism of (N(5))-carboxyaminoimidazole ribonucleotide synthase (PurK) from Bacillus anthracis.
Acta Crystallogr.,Sect.D, 70, 2014
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4DOS
 | | Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, Bound to DLPC and a Fragment of TIF-2 | | Descriptor: | DIUNDECYL PHOSPHATIDYL CHOLINE, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2, ... | | Authors: | Musille, P.M, Ortlund, E.A. | | Deposit date: | 2012-02-10 | | Release date: | 2012-04-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Antidiabetic phospholipid-nuclear receptor complex reveals the mechanism for phospholipid-driven gene regulation.
Nat.Struct.Mol.Biol., 19, 2012
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4DND
 | | Crystal structure of syntaxin 10 from Homo sapiens | | Descriptor: | Syntaxin-10 | | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Seidel, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2012-02-08 | | Release date: | 2012-02-22 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of syntaxin 10 from Homo sapiens
To be Published
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