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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4I8H
 | | Bovine trypsin at 0.75 resolution | | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Dauter, Z, Liebschner, D, Dauter, M, Brzuszkiewicz, A. | | Deposit date: | 2012-12-03 | | Release date: | 2012-12-19 | | Last modified: | 2013-09-18 | | Method: | X-RAY DIFFRACTION (0.75 Å) | | Cite: | On the reproducibility of protein crystal structures: five atomic resolution structures of trypsin.
Acta Crystallogr.,Sect.D, 69, 2013
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4I8W
 | | Crystal structure of wild type HIV-1 protease in complex with non-peptidic inhibitor, GRL007 | | Descriptor: | 4-{[(2R,3S)-3-({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-2-hydroxy-4-phenylbutyl](2-methylpropyl)sulfamoyl}benzoic acid, Protease | | Authors: | Yedidi, R.S, Palmer, I, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | | Deposit date: | 2012-12-04 | | Release date: | 2013-07-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | P2' benzene carboxylic acid moiety is associated with decrease in cellular uptake: evaluation of novel non-peptidic HIV-1 protease inhibitors containing P2 bis-tetrahydrofuran moiety.
Antimicrob.Agents Chemother., 57, 2013
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4I93
 | | Structure of the BSK8 kinase domain (SeMet labeled) | | Descriptor: | Probable serine/threonine-protein kinase At5g41260 | | Authors: | Gruetter, C, Rauh, D. | | Deposit date: | 2012-12-04 | | Release date: | 2013-08-14 | | Last modified: | 2013-11-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural Characterization of the RLCK Family Member BSK8: A Pseudokinase with an Unprecedented Architecture
J.Mol.Biol., 425, 2013
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4DM8
 | | Crystal structure of RARb LBD in complex with 9cis retinoic acid | | Descriptor: | Nuclear receptor coactivator 1, RETINOIC ACID, Retinoic acid receptor beta | | Authors: | Osz, J, Br livet, Y, Peluso-Iltis, C, Cura, V, Eiler, S, Ruff, M, Bourguet, W, Rochel, N, Moras, D. | | Deposit date: | 2012-02-07 | | Release date: | 2012-03-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for a molecular allosteric control mechanism of cofactor binding to nuclear receptors.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4I8K
 | | Bovine trypsin at 0.85 resolution | | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Dauter, Z, Liebschner, D, Dauter, M, Brzuszkiewicz, A. | | Deposit date: | 2012-12-03 | | Release date: | 2012-12-19 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | On the reproducibility of protein crystal structures: five atomic resolution structures of trypsin.
Acta Crystallogr.,Sect.D, 69, 2013
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4I94
 | | Structure of BSK8 in complex with AMP-PNP | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Probable serine/threonine-protein kinase At5g41260 | | Authors: | Gruetter, C, Rauh, D. | | Deposit date: | 2012-12-04 | | Release date: | 2013-08-14 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Characterization of the RLCK Family Member BSK8: A Pseudokinase with an Unprecedented Architecture
J.Mol.Biol., 425, 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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4DM9
 | | The Crystal Structure of Ubiquitin Carboxy-terminal hydrolase L1 (UCHL1) bound to a tripeptide fluoromethyl ketone Z-VAE(OMe)-FMK | | Descriptor: | Tripeptide fluoromethyl ketone inhibitor Z-VAE(OMe)-FMK, Ubiquitin carboxyl-terminal hydrolase isozyme L1 | | Authors: | Davies, C.W, Chaney, J, Korbel, G, Ringe, D, Petsko, G.A, Ploegh, H, Das, C. | | Deposit date: | 2012-02-07 | | Release date: | 2012-05-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | The co-crystal structure of ubiquitin carboxy-terminal hydrolase L1 (UCHL1) with a tripeptide fluoromethyl ketone (Z-VAE(OMe)-FMK).
Bioorg.Med.Chem.Lett., 22, 2012
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4DLQ
 | | Crystal structure of the GAIN and HormR domains of CIRL 1/Latrophilin 1 (CL1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Arac, D, Boucard, A.A, Bolliger, M.F, Nguyen, J, Soltis, M, Sudhof, T.C, Brunger, A.T. | | Deposit date: | 2012-02-06 | | Release date: | 2012-02-22 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A novel evolutionarily conserved domain of cell-adhesion GPCRs mediates autoproteolysis.
Embo J., 31, 2012
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4DOF
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4DPH
 | | Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with P65 and NADPH | | Descriptor: | 2,4-diamino-6-methyl-5-[3-(2,4,5-trichlorophenoxy)propyloxy]pyrimidine, BETA-MERCAPTOETHANOL, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | Authors: | Yuthavong, Y, Vilaivan, T, Kamchonwongpaisan, S, Charman, S.A, McLennan, D.N, White, K.L, Vivas, L, Bongard, E, Chitnumsub, P, Tarnchompoo, B, Thongphanchang, C, Taweechai, S, Vanichtanakul, J, Arwon, U, Fantauzzi, P, Yuvaniyama, J, Charman, W.N, Matthews, D. | | Deposit date: | 2012-02-13 | | Release date: | 2012-11-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Malarial dihydrofolate reductase as a paradigm for drug development against a resistance-compromised target
Proc.Natl.Acad.Sci.USA, 109, 2012
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4DQ9
 | | Crystal structure of the minor pseudopilin EPSH from the type II secretion system of Vibrio cholerae | | Descriptor: | CHLORIDE ION, General secretion pathway protein H, SODIUM ION | | Authors: | Raghunathan, K, Vago, F.S, Grindem, D, Ball, T, Wedemeyer, W.J, Arvidson, D.N. | | Deposit date: | 2012-02-15 | | Release date: | 2013-03-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | The 1.59 angstrom resolution structure of the minor pseudopilin EpsH of Vibrio cholerae reveals a long flexible loop.
Biochim.Biophys.Acta, 1844, 2013
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4HYQ
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4DCS
 | | Crystal Structure of B. subtilis EngA in complex with sulfate ion and GDP | | Descriptor: | GTP-BINDING PROTEIN ENGA, GUANOSINE-5'-DIPHOSPHATE, SULFATE ION | | 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 (2.25 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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4DDB
 | | EVAL processed HEWL, cisplatin DMSO paratone pH 6.5 | | Descriptor: | Cisplatin, DIMETHYL SULFOXIDE, 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 (3 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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4I2W
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4I92
 | | Structure of the BSK8 kinase domain | | Descriptor: | CHLORIDE ION, Probable serine/threonine-protein kinase At5g41260 | | Authors: | Gruetter, C, Rauh, D. | | Deposit date: | 2012-12-04 | | Release date: | 2013-08-14 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural Characterization of the RLCK Family Member BSK8: A Pseudokinase with an Unprecedented Architecture
J.Mol.Biol., 425, 2013
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4I68
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4DLC
 | | Crystal Structure of Trypanosoma brucei dUTPase with dUMP, MgF3- transition state analogue, and Mg2+ | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Deoxyuridine triphosphatase, MAGNESIUM ION, ... | | Authors: | Hemsworth, G.R, Gonzalez-Pacanowska, D, Wilson, K.S. | | Deposit date: | 2012-02-06 | | Release date: | 2013-08-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.759 Å) | | Cite: | On the catalytic mechanism of dimeric dUTPases.
Biochem.J., 456, 2013
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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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4DNU
 | | Crystal structure of the W285A mutant of UVB-resistance protein UVR8 | | Descriptor: | AT5g63860/MGI19_6 | | Authors: | Wu, D, Hu, Q, Yan, Z, Chen, W, Yan, C, Zhang, J, Wang, J, Shi, Y. | | Deposit date: | 2012-02-09 | | Release date: | 2012-03-07 | | Last modified: | 2013-07-17 | | Method: | X-RAY DIFFRACTION (1.764 Å) | | Cite: | Structural basis of ultraviolet-B perception by UVR8.
Nature, 484, 2012
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4I8J
 | | Bovine trypsin at 0.87 A resolution | | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Dauter, Z, Liebschner, D, Dauter, M, Brzuszkiewicz, A. | | Deposit date: | 2012-12-03 | | Release date: | 2012-12-19 | | Last modified: | 2013-09-18 | | Method: | X-RAY DIFFRACTION (0.87 Å) | | Cite: | On the reproducibility of protein crystal structures: five atomic resolution structures of trypsin.
Acta Crystallogr.,Sect.D, 69, 2013
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