5XK4
| Retracted state of S65-phosphorylated ubiquitin | Descriptor: | Polyubiquitin-B | Authors: | Dong, X, Gong, Z, Qin, L.Y, Ran, M.L, Zhang, C.L, Liu, K, Liu, Z, Zhang, W.P, Tang, C. | Deposit date: | 2017-05-05 | Release date: | 2017-06-28 | Last modified: | 2024-10-16 | Method: | SOLUTION NMR | Cite: | Ubiquitin S65 phosphorylation engenders a pH-sensitive conformational switch Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5XK5
| Relaxed state of S65-phosphorylated ubiquitin | Descriptor: | Polyubiquitin-B | Authors: | Xu, D, Zhou, G, Qin, L.Y, Ran, M.L, Zhang, C.L, Liu, K, Liu, Z, Zhang, W.P, Tang, C. | Deposit date: | 2017-05-05 | Release date: | 2017-06-28 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Ubiquitin S65 phosphorylation engenders a pH-sensitive conformational switch Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5XZ9
| Crystal Structure of Phosphofructokinase from Staphylococcus aureus in complex with adenylylimidodiphosphate, the ATP analogue | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent 6-phosphofructokinase, GLYCEROL | Authors: | Wang, C.L, Tian, T, Zang, J.Y. | Deposit date: | 2017-07-12 | Release date: | 2019-03-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Insights into the Regulation of Staphylococcus aureus Phosphofructokinase by Tetramer-Dimer Conversion. Biochemistry, 57, 2018
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5XZ7
| Crystal Structure of Phosphofructokinase from Staphylococcus aureus in complex with adenylylimidodiphosphate, the ATP analogue | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, ATP-dependent 6-phosphofructokinase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wang, C.L, Tian, T, Zang, J.Y. | Deposit date: | 2017-07-11 | Release date: | 2019-03-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Insights into the Regulation of Staphylococcus aureus Phosphofructokinase by Tetramer-Dimer Conversion. Biochemistry, 57, 2018
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5Z0C
| Nerol dehydrogenase from Persicaria minor | Descriptor: | BETA-MERCAPTOETHANOL, GLYCEROL, Nerol dehydrogenase, ... | Authors: | Tan, C.S, Ng, C.L, Zainal, Z. | Deposit date: | 2017-12-19 | Release date: | 2018-01-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Structural and kinetic studies of a novel nerol dehydrogenase from Persicaria minor, a nerol-specific enzyme for citral biosynthesis. Plant Physiol. Biochem., 123, 2017
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1EIA
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7VXR
| Crystal structure of BPSL1038 from Burkholderia pseudomallei | Descriptor: | BPSL1038, SODIUM ION | Authors: | Shaibullah, S, Mohd-Sharif, M, Ho, K.L, Firdaus-Raih, M, Nathan, S, Mohamed, R, Teh, A.K, Waterman, J, Ng, C.L. | Deposit date: | 2021-11-13 | Release date: | 2023-08-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural and functional analyses of Burkholderia pseudomallei BPSL1038 reveal a Cas-2/VapD nuclease sub-family. Commun Biol, 6, 2023
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7VXT
| Crystal structure of a selenomethionine-labeled BPSL1038 from Burkholderia pseudomallei | Descriptor: | BETA-MERCAPTOETHANOL, BPSL1038, SODIUM ION | Authors: | Shaibullah, S, Mohd-Sharif, M, Ho, K.L, Firdaus-Raih, M, Nathan, S, Mohamed, R, Teh, A.K, Waterman, J, Ng, C.L. | Deposit date: | 2021-11-13 | Release date: | 2023-08-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structural and functional analyses of Burkholderia pseudomallei BPSL1038 reveal a Cas-2/VapD nuclease sub-family. Commun Biol, 6, 2023
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2J4I
| CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | Descriptor: | 1-PYRROLIDINEACETAMIDE, 3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]-ALPHA-METHYL-N-(1-METHYLETHYL)-N-[2-[(METHYLSULFONYL)AMINO]ETHYL]-2-OXO-, (ALPHAS,3S)-, ... | Authors: | Young, R.J, Campbell, M, Borthwick, A.D, Brown, D, Chan, C, Convery, M.A, Crowe, M.C, Dayal, S, Diallo, H, Kelly, H.A, Paul King, N, Kleanthous, S, Kurtis, C.L, Mason, A.M, Mordaunt, J.E, Patel, C, Pateman, A.J, Senger, S, Shah, G.P, Smith, P.W, Watson, N.S, Weston, H.E, Zhou, P. | Deposit date: | 2006-08-31 | Release date: | 2006-09-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure- and Property-Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Acyclic Alanyl Amides as P4 Motifs. Bioorg.Med.Chem.Lett., 16, 2006
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5EIJ
| Carbonic Anhydrase II in complex with Sulfonamide Inhibitor | Descriptor: | 1-(3-iodanylphenyl)-3-(4-sulfamoylphenyl)thiourea, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Lomelino, C.L, Mahon, B.P, McKenna, R. | Deposit date: | 2015-10-29 | Release date: | 2016-11-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Kinetic and X-ray crystallographic investigations on carbonic anhydrase isoforms I, II, IX and XII of a thioureido analog of SLC-0111. Bioorg. Med. Chem., 24, 2016
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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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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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5EW0
| Crystal structure of the metallo-beta-lactamase Sfh-I in complex with the bisthiazolidine inhibitor L-CS319 | Descriptor: | (3R,5R,7aS)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Beta-lactamase, ZINC ION | Authors: | Hinchliffe, P, Tooke, C.L, Spencer, J. | Deposit date: | 2015-11-20 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes. Proc.Natl.Acad.Sci.USA, 113, 2016
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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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5F6Z
| Sandercyanin Fluorescent Protein purified from Sander vitreus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, Sandercyanin Fluorescent Protein | Authors: | Ghosh, S, Yu, C.L, Ferraro, D, Sudha, S, Pal, S, Schaefer, W, Gibson, D.T, Subramanian, R. | Deposit date: | 2015-12-07 | Release date: | 2016-09-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.248 Å) | Cite: | Blue protein with red fluorescence Proc.Natl.Acad.Sci.USA, 113, 2016
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1G8C
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5EXE
| Crystal structure of oxalate oxidoreductase from Moorella thermoacetica bound with carboxy-TPP adduct | Descriptor: | IRON/SULFUR CLUSTER, MAGNESIUM ION, Oxalate oxidoreductase subunit alpha, ... | Authors: | Gibson, M.I, Chen, P.Y.-T, Drennan, C.L. | Deposit date: | 2015-11-23 | Release date: | 2015-12-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | One-carbon chemistry of oxalate oxidoreductase captured by X-ray crystallography. Proc.Natl.Acad.Sci.USA, 113, 2016
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1F9J
| STRUCTURE OF A NEW CRYSTAL FORM OF TETRAUBIQUITIN | Descriptor: | TETRAUBIQUITIN | Authors: | Phillips, C.L, Thrower, J, Pickart, C.M, Hill, C.P. | Deposit date: | 2000-07-10 | Release date: | 2001-02-07 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of a new crystal form of tetraubiquitin. Acta Crystallogr.,Sect.D, 57, 2001
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5FBH
| Crystal structure of the extracellular domain of human calcium sensing receptor with bound Gd3+ | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BICARBONATE ION, CHLORIDE ION, ... | Authors: | Zhang, T, Zhang, C, Miller, C.L, Zou, J, Moremen, K.W, Brown, E.M, Yang, J.J, Hu, J. | Deposit date: | 2015-12-14 | Release date: | 2016-06-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for regulation of human calcium-sensing receptor by magnesium ions and an unexpected tryptophan derivative co-agonist. Sci Adv, 2, 2016
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5FH6
| Crystal structure of the fifth bromodomain of human PB1 in complex with compound 10 | Descriptor: | (3~{R})-3-(piperidin-1-ylmethyl)-2,3-dihydro-1~{H}-pyrrolo[1,2-a]quinazolin-5-one, Protein polybromo-1 | Authors: | Tallant, C, Sutherell, C.L, Siejka, P, Krojer, T, Picaud, S, Fonseca, M, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Ley, S.V, Knapp, S. | Deposit date: | 2015-12-21 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification and Development of 2,3-Dihydropyrrolo[1,2-a]quinazolin-5(1H)-one Inhibitors Targeting Bromodomains within the Switch/Sucrose Nonfermenting Complex. J.Med.Chem., 59, 2016
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5FAW
| T502A mutant of choline TMA-lyase | Descriptor: | CHOLINE ION, Choline trimethylamine-lyase, MALONATE ION, ... | Authors: | Funk, M.A, Drennan, C.L. | Deposit date: | 2015-12-12 | Release date: | 2016-09-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.852 Å) | Cite: | Molecular Basis of C-N Bond Cleavage by the Glycyl Radical Enzyme Choline Trimethylamine-Lyase. Cell Chem Biol, 23, 2016
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1GZ9
| High-Resolution Crystal Structure of Erythrina cristagalli Lectin in Complex with 2'-alpha-L-Fucosyllactose | Descriptor: | CALCIUM ION, ERYTHRINA CRISTA-GALLI LECTIN, MANGANESE (II) ION, ... | Authors: | Svensson, C, Teneberg, S, Nilsson, C.L, Kjellberg, A, Schwarz, F.P, Sharon, N, Krengel, U. | Deposit date: | 2002-05-17 | Release date: | 2002-06-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | High-Resolution Crystal Structures of Erythrina Cristagalli Lectin in Complex with Lactose and 2'-Alpha-L-Fucosyllactose and Correlation with Thermodynamic Binding Data J.Mol.Biol., 321, 2002
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5FAU
| wild-type choline TMA lyase in complex with choline | Descriptor: | CHOLINE ION, Choline trimethylamine-lyase, GLYCEROL | Authors: | Funk, M.A, Drennan, C.L. | Deposit date: | 2015-12-12 | Release date: | 2016-09-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular Basis of C-N Bond Cleavage by the Glycyl Radical Enzyme Choline Trimethylamine-Lyase. Cell Chem Biol, 23, 2016
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1GGQ
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5EV1
| Structure I of Intact U2AF65 Recognizing a 3' Splice Site Signal | Descriptor: | DI(HYDROXYETHYL)ETHER, DNA/RNA (5'-R(*UP*UP*U)-D(P*UP*UP*(BRU)P*U)-R(P*UP*U)-3'), SODIUM ION, ... | Authors: | Agrawal, A.A, Jenkins, J.L, Kielkopf, C.L. | Deposit date: | 2015-11-19 | Release date: | 2016-02-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.037 Å) | Cite: | An extended U2AF(65)-RNA-binding domain recognizes the 3' splice site signal. Nat Commun, 7, 2016
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