4W53
| T4 Lysozyme L99A with Toluene Bound | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, TOLUENE | Authors: | Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. | Deposit date: | 2014-08-16 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Homologous ligands accommodated by discrete conformations of a buried cavity. Proc.Natl.Acad.Sci.USA, 112, 2015
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4W56
| T4 Lysozyme L99A with sec-Butylbenzene Bound | Descriptor: | (2R)-butan-2-ylbenzene, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin | Authors: | Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. | Deposit date: | 2014-08-16 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Homologous ligands accommodated by discrete conformations of a buried cavity. Proc.Natl.Acad.Sci.USA, 112, 2015
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4W59
| T4 Lysozyme L99A with n-Hexylbenzene Bound | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, hexylbenzene | Authors: | Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. | Deposit date: | 2014-08-16 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Homologous ligands accommodated by discrete conformations of a buried cavity. Proc.Natl.Acad.Sci.USA, 112, 2015
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6D4N
| Crystal structure of a Fc fragment of Rhesus macaque (Macaca mulatta) IgG4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Fc fragment of IgG4 | Authors: | Gohain, N, Tolbert, W.D, Pazgier, M. | Deposit date: | 2018-04-18 | Release date: | 2019-05-01 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | From Rhesus macaque to human: structural evolutionary pathways for immunoglobulin G subclasses. Mabs, 11, 2019
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6DWV
| Crystal structure of the LigJ Hydratase in the Apo state | Descriptor: | 4-oxalomesaconate hydratase, ZINC ION | Authors: | Mabanglo, M.F, Raushel, F.M. | Deposit date: | 2018-06-28 | Release date: | 2018-10-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and Reaction Mechanism of the LigJ Hydratase: An Enzyme Critical for the Bacterial Degradation of Lignin in the Protocatechuate 4,5-Cleavage Pathway. Biochemistry, 57, 2018
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6DXS
| Crystal structure of the LigJ hydratase E284Q mutant substrate complex with (3Z)-2-keto-4-carboxy-3-hexenedioate | Descriptor: | (2Z)-4-oxobut-2-ene-1,2,4-tricarboxylic acid, 4-oxalomesaconate hydratase, ZINC ION | Authors: | Mabanglo, M.F, Raushel, F.M, Hogancamp, T.N. | Deposit date: | 2018-06-29 | Release date: | 2018-09-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure and Reaction Mechanism of the LigJ Hydratase: An Enzyme Critical for the Bacterial Degradation of Lignin in the Protocatechuate 4,5-Cleavage Pathway. Biochemistry, 57, 2018
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6D4E
| Crystal Structure of a Fc Fragment of Rhesus macaque (Macaca mulatta) IgG1. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Fc Fragment of IgG1 | Authors: | Gohain, N, Tolbert, W.D, Pazgier, M. | Deposit date: | 2018-04-18 | Release date: | 2019-05-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | From Rhesus macaque to human: structural evolutionary pathways for immunoglobulin G subclasses. Mabs, 11, 2019
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6KUC
| Crystal structure of Plasmodium falciparum histo-aspartic protease (HAP) zymogen (Form 2) | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, HAP protein | Authors: | Rathore, I, Mishra, V, Bhaumik, P. | Deposit date: | 2019-08-31 | Release date: | 2020-05-27 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Activation mechanism of plasmepsins, pepsin-like aspartic proteases from Plasmodium, follows a unique trans-activation pathway. Febs J., 288, 2021
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6KUD
| Crystal structure of Plasmodium falciparum histo-aspartic protease (HAP) zymogen (Form 3) | Descriptor: | GLYCEROL, HAP protein | Authors: | Rathore, I, Mishra, V, Bhaumik, P. | Deposit date: | 2019-08-31 | Release date: | 2020-05-27 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Activation mechanism of plasmepsins, pepsin-like aspartic proteases from Plasmodium, follows a unique trans-activation pathway. Febs J., 288, 2021
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6D4I
| Crystal Structure of a Fc Fragment of Rhesus macaque (Macaca mulatta) IgG2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Fc fragment of IgG2 | Authors: | Gohain, N, Tolbert, W.D, Pazgier, M. | Deposit date: | 2018-04-18 | Release date: | 2019-05-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | From Rhesus macaque to human: structural evolutionary pathways for immunoglobulin G subclasses. Mabs, 11, 2019
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4E1B
| Re-refinement of PDB entry 2EQA - SUA5 protein from Sulfolobus tokodaii with bound threonylcarbamoyladenylate | Descriptor: | MAGNESIUM ION, YrdC/Sua5 family protein, threonylcarbamoyladenylate | Authors: | Parthier, C, Goerlich, S, Jaenecke, F, Breithaupt, C, Braeuer, U, Fandrich, U, Clausnitzer, D, Wehmeier, U.F, Boettcher, C, Scheel, D, Stubbs, M.T. | Deposit date: | 2012-03-06 | Release date: | 2012-03-14 | Last modified: | 2012-05-02 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The O-Carbamoyltransferase TobZ Catalyzes an Ancient Enzymatic Reaction. Angew.Chem.Int.Ed.Engl., 51, 2012
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6DCN
| Bcl-xL complex with Beclin 1 BH3 domain T108pThr | Descriptor: | BCL-xl protein, Beclin-1 | Authors: | Lee, E.F, Smith, B.J, Smith, N.A, Yao, S, Fairlie, W.D. | Deposit date: | 2018-05-07 | Release date: | 2018-05-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.444 Å) | Cite: | Structural insights into BCL2 pro-survival protein interactions with the key autophagy regulator BECN1 following phosphorylation by STK4/MST1. Autophagy, 15, 2019
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6DCO
| Bcl-xL complex with Beclin 1 BH3 domain T108D | Descriptor: | Bcl-2-like protein 1,Bcl-2-like protein 1, Beclin-1, CHLORIDE ION | Authors: | Lee, E.F, Smith, B.J, Smith, N.A, Yao, S, Fairlie, W.D. | Deposit date: | 2018-05-07 | Release date: | 2018-05-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.198 Å) | Cite: | Structural insights into BCL2 pro-survival protein interactions with the key autophagy regulator BECN1 following phosphorylation by STK4/MST1. Autophagy, 15, 2019
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9FCH
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6TXW
| V30G Transthyretin structure in complex with Tolcalpone | Descriptor: | Tolcapone, Transthyretin | Authors: | Varejao, N, Reverter, D, Pinheiro, F, Pallares, I, Ventura, S. | Deposit date: | 2020-01-14 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.153 Å) | Cite: | Tolcapone, a potent aggregation inhibitor for the treatment of familial leptomeningeal amyloidosis. Febs J., 288, 2021
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6DUP
| CRYSTAL STRUCTURE OF PXR IN COMPLEX WITH COMPOUND 7 | Descriptor: | (2S)-2-({[3'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]oxy}methyl)-2,3-dihydro-7H-[1,3]oxazolo[3,2-a]pyrimidin-7-one, Nuclear receptor subfamily 1 group I member 2 | Authors: | Chen, X, Zhang, Y, Mclean, L.R. | Deposit date: | 2018-06-21 | Release date: | 2018-08-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Amelioration of PXR-mediated CYP3A4 induction by mGluR2 modulators. Bioorg. Med. Chem. Lett., 28, 2018
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6TXV
| A25T Transthyretin structure in complex with Tolcalpone | Descriptor: | Tolcapone, Transthyretin | Authors: | Varejao, N, Reverter, D, Pinheiro, F, Pallares, I, Ventura, S. | Deposit date: | 2020-01-14 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Tolcapone, a potent aggregation inhibitor for the treatment of familial leptomeningeal amyloidosis. Febs J., 288, 2021
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6KFB
| Hydroxynitrile lyase from the millipede, Chamberlinius hualienensis bound with thiocyanate | Descriptor: | Hydroxynitrile lyase, THIOCYANATE ION, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Motojima, F, Izumi, A, Asano, Y. | Deposit date: | 2019-07-07 | Release date: | 2020-07-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | R-hydroxynitrile lyase from the cyanogenic millipede, Chamberlinius hualienensis-A new entry to the carrier protein family Lipocalines. Febs J., 288, 2021
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9F3Y
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9F3X
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6KTK
| Crystal structure of scyllo-inositol dehydrogenase R178A mutant, complexed with NADH and L-glucono-1,5-lactone, from Paracoccus laeviglucosivorans | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-glucono-1,5-lactone, Scyllo-inositol dehydrogenase with L-glucose dehydrogenase activity, ... | Authors: | Suzuki, M, Koubara, K, Takenoya, M, Fukano, K, Ito, S, Sasaki, Y, Nakamura, A, Yajima, S. | Deposit date: | 2019-08-28 | Release date: | 2019-12-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Single amino acid mutation altered substrate specificity for L-glucose and inositol inscyllo-inositol dehydrogenase isolated fromParacoccus laeviglucosivorans. Biosci.Biotechnol.Biochem., 84, 2020
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6KTL
| Crystal structure of scyllo-inositol dehydrogenase R178A mutant, complexed with NAD and myo-inositol, from Paracoccus laeviglucosivorans | Descriptor: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, ACETATE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Suzuki, M, Koubara, K, Takenoya, M, Fukano, K, Ito, S, Sasaki, Y, Nakamura, A, Yajima, S. | Deposit date: | 2019-08-28 | Release date: | 2019-12-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Single amino acid mutation altered substrate specificity for L-glucose and inositol inscyllo-inositol dehydrogenase isolated fromParacoccus laeviglucosivorans. Biosci.Biotechnol.Biochem., 84, 2020
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6KTJ
| Crystal structure of scyllo-inositol dehydrogenase R178A mutant, apo-form, from Paracoccus laeviglucosivorans | Descriptor: | ACETATE ION, Scyllo-inositol dehydrogenase with L-glucose dehydrogenase activity | Authors: | Suzuki, M, Koubara, K, Takenoya, M, Fukano, K, Ito, S, Sasaki, Y, Nakamura, A, Yajima, S. | Deposit date: | 2019-08-28 | Release date: | 2019-12-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Single amino acid mutation altered substrate specificity for L-glucose and inositol inscyllo-inositol dehydrogenase isolated fromParacoccus laeviglucosivorans. Biosci.Biotechnol.Biochem., 84, 2020
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6UTN
| Native E. coli Glyceraldehyde 3-phosphate dehydrogenase | Descriptor: | ACETATE ION, Glyceraldehyde-3-phosphate dehydrogenase, PHOSPHATE ION, ... | Authors: | Rodriguez-Hernandez, A, Romo-Arevalo, E, Rodriguez-Romero, A. | Deposit date: | 2019-10-29 | Release date: | 2019-12-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | A Novel Substrate-Binding Site in the X-Ray Structure of an Oxidized E. coli Glyceraldehyde 3-Phosphate Dehydrogenase Elucidated by Single-Wavelength Anomalous Dispersion Crystals, 9, 2019
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6UCK
| proIAPP in DPC Micelles - Two-Conformer Ensemble Refinement, Bent Conformer | Descriptor: | Islet amyloid polypeptide | Authors: | DeLisle, C.F, Malooley, A.L, Banerjee, I, Lorieau, J.L. | Deposit date: | 2019-09-16 | Release date: | 2020-02-26 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Pro-islet amyloid polypeptide in micelles contains a helical prohormone segment. Febs J., 287, 2020
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