1OIF
 
 | | Family 1 b-glucosidase from Thermotoga maritima | | Descriptor: | 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, BETA-GLUCOSIDASE | | Authors: | Gloster, T, Zechel, D, Boraston, A.B, Boraston, C.M, Macdonald, J.M, Tilbrook, D.M, Stick, R.V, Davies, G.J. | | Deposit date: | 2003-06-16 | | Release date: | 2003-11-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Iminosugar Glycosidase Inhibitors: Structural and Thermodynamic Dissection of the Binding of Isofagomine and 1-Deoxynojirimycin to Beta-Glucosidases
J.Am.Chem.Soc., 125, 2003
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3TEF
 | | Crystal Structure of the Periplasmic Catecholate-Siderophore Binding Protein VctP from Vibrio Cholerae | | Descriptor: | Iron(III) ABC transporter, periplasmic iron-compound-binding protein | | Authors: | Liu, X, Wang, Z, Liu, S, Li, N, Chen, Y, Zhu, C, Zhu, D, Wei, T, Huang, Y, Xu, S, Gu, L. | | Deposit date: | 2011-08-13 | | Release date: | 2012-08-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.698 Å) | | Cite: | Crystal structure of periplasmic catecholate-siderophore binding protein VctP from Vibrio cholerae at 1.7 A resolution
Febs Lett., 586, 2012
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4DST
 | | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity | | Descriptor: | 1,2-ETHANEDIOL, 2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine, ACETATE ION, ... | | Authors: | Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W. | | Deposit date: | 2012-02-19 | | Release date: | 2012-04-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4DD7
 | | EVAL processed HEWL, carboplatin DMSO glycerol | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Lysozyme C, ... | | Authors: | Tanley, S.W, Schreurs, A.M, Kroon-Batenburg, L.M, Meredith, J, Prendergast, R, Walsh, D, Bryant, P, Levy, C, Helliwell, J.R. | | Deposit date: | 2012-01-18 | | Release date: | 2012-04-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural studies of the effect that dimethyl sulfoxide (DMSO) has on cisplatin and carboplatin binding to histidine in a protein.
Acta Crystallogr.,Sect.D, 68, 2012
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4DDT
 | | Thermotoga maritima reverse gyrase, C2 FORM 2 | | Descriptor: | Reverse gyrase, ZINC ION | | Authors: | Rudolph, M.G, Klostermeier, D. | | Deposit date: | 2012-01-19 | | Release date: | 2012-12-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structures of Thermotoga maritima reverse gyrase: inferences for the mechanism of positive DNA supercoiling.
Nucleic Acids Res., 41, 2013
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4DT2
 | | Crystal structure of red kidney bean purple acid phosphatase in complex with Maybridge fragment CC27209 | | Descriptor: | (2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)methanol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Feder, D, Hussein, W.M, Clayton, D.J, Kan, M, Schenk, G, McGeary, R.P, Guddat, L.W. | | Deposit date: | 2012-02-20 | | Release date: | 2012-09-19 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Identification of purple acid phosphatase inhibitors by fragment-based screening: promising new leads for osteoporosis therapeutics.
Chem.Biol.Drug Des., 80, 2012
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4DLA
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4DNW
 | | Crystal structure of UVB-resistance protein UVR8 | | Descriptor: | AT5g63860/MGI19_6 | | Authors: | Wu, D, Hu, Q, Yan, Z, Chen, W, Yan, C, Wang, J, Shi, Y. | | Deposit date: | 2012-02-09 | | Release date: | 2012-03-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.773 Å) | | Cite: | Structural basis of ultraviolet-B perception by UVR8.
Nature, 484, 2012
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4DOG
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4DPM
 | | Structure of malonyl-coenzyme A reductase from crenarchaeota in complex with CoA | | Descriptor: | COENZYME A, MAGNESIUM ION, Malonyl-CoA/succinyl-CoA reductase | | Authors: | Demmer, U, Warkentin, E, Srivastava, A, Kockelkorn, D, Fuchs, G, Ermler, U. | | Deposit date: | 2012-02-13 | | Release date: | 2012-12-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis for a Bispecific NADP+ and CoA Binding Site in an Archaeal Malonyl-Coenzyme A Reductase.
J.Biol.Chem., 288, 2013
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4DR9
 | | Crystal structure of a peptide deformylase from synechococcus elongatus in complex with actinonin | | Descriptor: | ACTINONIN, BROMIDE ION, Peptide deformylase, ... | | Authors: | Lorimer, D, Abendroth, J, Craig, T, Burgin, A, Segall, A, Rohwler, F. | | Deposit date: | 2012-02-17 | | Release date: | 2013-01-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure and function of a cyanophage-encoded peptide deformylase.
ISME J, 7, 2013
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4DSN
 | | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity | | Descriptor: | 1,2-ETHANEDIOL, GTPase KRas, isoform 2B, ... | | Authors: | Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W. | | Deposit date: | 2012-02-19 | | Release date: | 2012-04-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4DVY
 | | Crystal structure of the Helicobacter pylori CagA oncoprotein | | Descriptor: | Cytotoxicity-associated immunodominant antigen | | Authors: | Hayashi, T, Senda, M, Morohashi, H, Higashi, H, Horio, M, Kashiba, Y, Nagase, L, Sasaya, D, Shimizu, T, Venugopalan, N, Kumeta, H, Noda, N, Inagaki, F, Senda, T, Hatakeyama, M. | | Deposit date: | 2012-02-23 | | Release date: | 2012-07-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Tertiary Structure-Function Analysis Reveals the Pathogenic Signaling Potentiation Mechanism of Helicobacter pylori Oncogenic Effector CagA
Cell Host Microbe, 12, 2012
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3SVL
 | | Structural basis of the improvement of ChrR - a multi-purpose enzyme | | Descriptor: | CALCIUM ION, FLAVIN MONONUCLEOTIDE, protein yieF | | Authors: | Poulain, S, Eswaramoorthy, S, Hienerwadel, R, Bremond, N, Sylvester, M.D, Zhang, Y.B, Van Der Lelie, D, Berthomieu, C, Matin, A.C. | | Deposit date: | 2011-07-12 | | Release date: | 2012-05-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of ChrR-A Quinone Reductase with the Capacity to Reduce Chromate.
Plos One, 7, 2012
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4DWQ
 | | RNA ligase RtcB-GMP/Mn(2+) complex | | Descriptor: | GLYCEROL, GUANOSINE-5'-MONOPHOSPHATE, MALONATE ION, ... | | Authors: | Okada, C, Xia, S, Englert, M, Yao, M, Soll, D, Wang, J. | | Deposit date: | 2012-02-26 | | Release date: | 2012-09-05 | | Last modified: | 2017-08-02 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural and mechanistic insights into guanylylation of RNA-splicing ligase RtcB joining RNA between 3'-terminal phosphate and 5'-OH.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4DAS
 | | Crystal structure of Bullfrog M ferritin | | Descriptor: | 1,2-ETHANEDIOL, Ferritin, middle subunit, ... | | Authors: | Bertini, I, Lalli, D, Mangani, S, Pozzi, C, Rosa, C, Turano, P. | | Deposit date: | 2012-01-13 | | Release date: | 2013-01-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Structural insights into the ferroxidase site of ferritins from higher eukaryotes.
J.Am.Chem.Soc., 134, 2012
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4DD9
 | | EVAL processed HEWL, carboplatin DMSO paratone | | Descriptor: | DIMETHYL SULFOXIDE, Lysozyme C, carboplatin | | Authors: | Tanley, S.W, Schreurs, A.M, Kroon-Batenburg, L.M, Meredith, J, Prendergast, R, Walsh, D, Bryant, P, Levy, C, Helliwell, J.R. | | Deposit date: | 2012-01-18 | | Release date: | 2012-04-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural studies of the effect that dimethyl sulfoxide (DMSO) has on cisplatin and carboplatin binding to histidine in a protein.
Acta Crystallogr.,Sect.D, 68, 2012
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4DDV
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4DFW
 | | Oxime-based Post Solid-phase Peptide Diversification: Identification of High Affinity Polo-like Kinase 1 (Plk1) Polo-box Domain Binding Peptides | | Descriptor: | CHLORIDE ION, Peptide, Serine/threonine-protein kinase PLK1 | | Authors: | Liu, F, Park, J.-E, Qian, W.-J, Lim, D, Gr ber, M, Berg, T, Yaffe, M.B, Lee, K.S, Burke Jr, T.R. | | Deposit date: | 2012-01-24 | | Release date: | 2012-03-28 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Oxime-based Post Solid-phase Peptide Diversification: Identification of High Affinity Polo-like Kinase 1 (Plk1) Polo-box Domain Binding Peptides
Chem.Biol., 2012
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4DCV
 | | Crystal Structure of B. subtilis EngA in complex with GMPPCP | | Descriptor: | GTP-BINDING PROTEIN ENGA, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER | | Authors: | Reiser, J.-B, Housset, D, Foucher, A.-E, Jault, J.-M. | | Deposit date: | 2012-01-18 | | Release date: | 2012-11-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Potassium Acts as a GTPase-Activating Element on Each Nucleotide-Binding Domain of the Essential Bacillus subtilis EngA.
Plos One, 7, 2012
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4DE9
 | | LytR-CPS2A-psr family protein YwtF (TagT) with bound octaprenyl pyrophosphate lipid | | Descriptor: | (2Z,6Z,10Z,14Z,18Z,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate, Putative transcriptional regulator ywtF | | Authors: | Eberhardt, A, Hoyland, C.N, Vollmer, D, Bisle, S, Cleverley, R.M, Johnsborg, O, Havarstein, S, Lewis, R.J, Vollmer, W. | | Deposit date: | 2012-01-20 | | Release date: | 2012-04-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.787 Å) | | Cite: | Attachment of Capsular Polysaccharide to the Cell Wall in Streptococcus pneumoniae.
Microb Drug Resist, 18, 2012
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3SWV
 | | Crystal Structure of a domain of Brefeldin A-inhibited guanine nucleotide-exchange protein 2 (Brefeldin A-inhibited GEP 2) from Homo sapiens (Human), Northeast Structural Genomics Consortium target id HR5562A | | Descriptor: | Brefeldin A-inhibited guanine nucleotide-exchange protein 2 | | Authors: | Seetharaman, J, Su, M, Forouhar, F, Wang, D, Janjua, H, Cunningham, K, Owens, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2011-07-14 | | Release date: | 2011-08-24 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal Structure of a domain of Brefeldin A-inhibited guanine nucleotide-exchange protein 2 (BrefeldinA-inhibited GEP 2) from Homo sapiens (Human), Northeast Structural Genomics Consortium target id HR5562A
To be Published
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3SX0
 | | Crystal structure of Dot1l in complex with a brominated SAH analog | | Descriptor: | (2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(4-amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name), Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | | Authors: | Yu, W, Tempel, W, Smil, D, Schapira, M, Li, Y, Vedadi, M, Nguyen, K.T, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-07-14 | | Release date: | 2011-07-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Bromo-deaza-SAH: a potent and selective DOT1L inhibitor.
Bioorg. Med. Chem., 21, 2013
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4DPE
 | | Structure of MMP3 complexed with a platinum-based inhibitor. | | Descriptor: | CALCIUM ION, CHLORIDE ION, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, ... | | Authors: | Belviso, B.D, Arnesano, F, Calderone, V, Caliandro, R, Natile, G, Siliqi, D. | | Deposit date: | 2012-02-13 | | Release date: | 2013-02-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structure of matrix metalloproteinase-3 with a platinum-based inhibitor.
Chem.Commun.(Camb.), 49, 2013
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4DQ1
 | | Thymidylate synthase from Staphylococcus aureus. | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase | | Authors: | Osipiuk, J, Holowicki, J, Jedrzejczak, R, Rubin, E, Guinn, K, Ioerger, T, Baker, D, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | | Deposit date: | 2012-02-14 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Thymidylate synthase from Staphylococcus aureus.
To be Published
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