7BDU
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2B6A
| Crystal structure of HIV-1 reverse transcriptase (RT) in complex with THR-50 | Descriptor: | 1-(2,6-DIFLUOROBENZYL)-2-(2,6-DIFLUOROPHENYL)-4-METHYL-1H-BENZIMIDAZOLE, Reverse transcriptase p51 subunit, Reverse transcriptase p66 subunit | Authors: | Morningstar, M.L, Roth, T, Smith, M.K, Zajac, M, Watson, K, Buckheit, R.W, Das, K, Zhang, W, Arnold, E, Michejda, C.J. | Deposit date: | 2005-09-30 | Release date: | 2005-11-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Crystal structure of HIV-1 reverse transcriptase (RT) in complex with THR-50 TO BE PUBLISHED
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2B76
| E. coli Quinol fumarate reductase FrdA E49Q mutation | Descriptor: | CITRATE ANION, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | Authors: | Maklashina, E, Iverson, T.M, Sher, Y, Kotlyar, V, Mirza, O, Andrell, J, Hudson, J.M, Armstrong, F.A, Cecchini, G. | Deposit date: | 2005-10-03 | Release date: | 2006-02-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Fumarate Reductase and Succinate Oxidase Activity of Escherichia coli Complex II Homologs Are Perturbed Differently by Mutation of the Flavin Binding Domain J.Biol.Chem., 281, 2006
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2B0E
| EcoRV Restriction Endonuclease/GAAUTC/Ca2+ | Descriptor: | 5'-D(*AP*AP*AP*GP*AP*AP*(DU)P*TP*CP*TP*T)-3', CALCIUM ION, Type II restriction enzyme EcoRV | Authors: | Hiller, D.A, Rodriguez, A.M, Perona, J.J. | Deposit date: | 2005-09-13 | Release date: | 2005-09-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Non-cognate Enzyme-DNA Complex: Structural and Kinetic Analysis of EcoRV Endonuclease Bound to the EcoRI Recognition Site GAATTC J.Mol.Biol., 354, 2005
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6N65
| KRAS G-quadruplex G16T mutant. | Descriptor: | KRAS G-quadruplex G16T mutant, POTASSIUM ION | Authors: | Schmidberger, J.W, Ou, A, Smith, N.M, Iyer, K.S, Bond, C.S. | Deposit date: | 2018-11-25 | Release date: | 2020-04-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | High resolution crystal structure of a KRAS promoter G-quadruplex reveals a dimer with extensive poly-A pi-stacking interactions for small-molecule recognition. Nucleic Acids Res., 48, 2020
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7BHE
| DARPin_D5/Her3 domain 4 complex, monoclinic crystals | Descriptor: | ACETATE ION, DARPin_D5, GLYCEROL, ... | Authors: | Mittl, P.R.E, Radom, F, Pluckthun, A. | Deposit date: | 2021-01-11 | Release date: | 2021-11-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.297 Å) | Cite: | Crystal structures of HER3 extracellular domain 4 in complex with the designed ankyrin-repeat protein D5. Acta Crystallogr.,Sect.F, 77, 2021
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2B3Y
| Structure of a monoclinic crystal form of human cytosolic aconitase (IRP1) | Descriptor: | ACETATE ION, FORMIC ACID, GLYCEROL, ... | Authors: | Dupuy, J, Fontecilla-Camps, J.C, Volbeda, A. | Deposit date: | 2005-09-22 | Release date: | 2006-01-10 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of human iron regulatory protein 1 as cytosolic aconitase Structure, 14, 2006
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2AG3
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2AGL
| Crystal structure of the phenylhydrazine adduct of aromatic amine dehydrogenase from Alcaligenes faecalis | Descriptor: | 1-PHENYLHYDRAZINE, Aromatic amine dehydrogenase | Authors: | Masgrau, L, Roujeinikova, A, Johannissen, L.O, Hothi, P, Basran, J, Ranaghan, K.E, Mulholland, A.J, Sutcliffe, M.J, Scrutton, N.S, Leys, D. | Deposit date: | 2005-07-27 | Release date: | 2006-04-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Atomic description of an enzyme reaction dominated by proton tunneling Science, 312, 2006
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2AGY
| Crystal structure of the Schiff base intermediate in the reductive half-reaction of aromatic amine dehydrogenase (AADH) with tryptamine. Monoclinic form | Descriptor: | 2-(1H-INDOL-3-YL)ETHANIMINE, Aromatic amine dehydrogenase | Authors: | Masgrau, L, Roujeinikova, A, Johannissen, L.O, Hothi, P, Basran, J, Ranaghan, K.E, Mulholland, A.J, Sutcliffe, M.J, Scrutton, N.S, Leys, D. | Deposit date: | 2005-07-27 | Release date: | 2006-04-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Atomic description of an enzyme reaction dominated by proton tunneling Science, 312, 2006
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6NRG
| Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT57 | Descriptor: | 2-{[3-fluoro-4-(1H-tetrazol-5-yl)phenyl]methyl}-3-hydroxy-1-benzofuran-7-carboxamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 1, ... | Authors: | Langelier, M.F, Pascal, J.M. | Deposit date: | 2019-01-23 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity. J.Med.Chem., 62, 2019
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2AI8
| E.coli Polypeptide Deformylase complexed with SB-485343 | Descriptor: | NICKEL (II) ION, Peptide deformylase, [HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL | Authors: | Smith, K.J, Petit, C.M, Aubart, K, Smyth, M, McManus, E, Jones, J, Fosberry, A, Lewis, C, Lonetto, M, Christensen, S.B. | Deposit date: | 2005-07-29 | Release date: | 2005-09-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Variation and inhibitor binding in polypeptide deformylase from four different bacterial species. Protein Sci., 12, 2003
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6NS0
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7BDN
| Structure of the Streptomyces coelicolor small laccase - cubic crystal form | Descriptor: | COPPER (II) ION, Putative copper oxidase | Authors: | Zovo, K, Majumdar, S, Lukk, T. | Deposit date: | 2020-12-22 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Substitution of the Methionine Axial Ligand of the T1 Copper for the Fungal-like Phenylalanine Ligand (M298F) Causes Local Structural Perturbations that Lead to Thermal Instability and Reduced Catalytic Efficiency of the Small Laccase from Streptomyces coelicolor A3(2). Acs Omega, 7, 2022
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6NFY
| Crystal structure of nonphosphorylated, HPK1 kinase domain in complex with sunitinib in the inactive state. | Descriptor: | Mitogen-activated protein kinase kinase kinase kinase 1, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide | Authors: | Johnson, E, McTigue, M, Cronin, C.N. | Deposit date: | 2018-12-21 | Release date: | 2019-05-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Multiple conformational states of the HPK1 kinase domain in complex with sunitinib reveal the structural changes accompanying HPK1 trans-regulation. J.Biol.Chem., 294, 2019
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6NRF
| Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT103 | Descriptor: | 2-({4-[4-(1H-benzimidazol-2-yl)piperazine-1-carbonyl]phenyl}methyl)-3-hydroxy-1-benzofuran-7-carboxamide, CHLORIDE ION, CITRIC ACID, ... | Authors: | Langelier, M.F, Pascal, J.M. | Deposit date: | 2019-01-23 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity. J.Med.Chem., 62, 2019
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6ZGO
| Thrombin in complex with D-Phe-Pro-2-chlorofuran derivative (13l) | Descriptor: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylfuran-2-yl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Sandner, A, Heine, A, Klebe, G. | Deposit date: | 2020-06-19 | Release date: | 2021-06-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Thrombin in complex with D-Phe-Pro-2-chlorofuran derivative (13l) To be published
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6ZBY
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6ZHM
| Crystal Structure of Staphylococcus aureus RsgA bound to GDP. | Descriptor: | 1,2-ETHANEDIOL, GUANOSINE-5'-DIPHOSPHATE, Small ribosomal subunit biogenesis GTPase RsgA, ... | Authors: | Bennison, D.J, Rafferty, J.B, Corrigan, R.M. | Deposit date: | 2020-06-23 | Release date: | 2021-06-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The Stringent Response Inhibits 70S Ribosome Formation in Staphylococcus aureus by Impeding GTPase-Ribosome Interactions. Mbio, 12, 2021
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6NLL
| 1.80 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 14) | Descriptor: | 4-{[3-(2,4-dihydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione, FE (II) ION, Ferroxidase, ... | Authors: | Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M. | Deposit date: | 2019-01-08 | Release date: | 2019-05-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity. J.Am.Chem.Soc., 141, 2019
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6ZHL
| Crystal Structure of Staphylococcus aureus RsgA bound to ppGpp. | Descriptor: | 1,2-ETHANEDIOL, GUANOSINE-5',3'-TETRAPHOSPHATE, Small ribosomal subunit biogenesis GTPase RsgA, ... | Authors: | Bennison, D.J, Rafferty, J.B, Corrigan, R.M. | Deposit date: | 2020-06-23 | Release date: | 2021-06-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | The Stringent Response Inhibits 70S Ribosome Formation in Staphylococcus aureus by Impeding GTPase-Ribosome Interactions. Mbio, 12, 2021
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6ZJO
| Crystal Structure of Staphylococcus aureus RsgA. | Descriptor: | 1,2-ETHANEDIOL, PHOSPHATE ION, Small ribosomal subunit biogenesis GTPase RsgA, ... | Authors: | Bennison, D.J, Rafferty, J.B, Corrigan, R.M. | Deposit date: | 2020-06-29 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | The Stringent Response Inhibits 70S Ribosome Formation in Staphylococcus aureus by Impeding GTPase-Ribosome Interactions. Mbio, 12, 2021
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6NWG
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6NOW
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2EID
| Galactose Oxidase W290G mutant | Descriptor: | COPPER (II) ION, Galactose oxidase, SODIUM ION | Authors: | Phillips, S.E, McPherson, M.J, Knowles, P.F, Akyumani, N, Firbank, S.J, Tamber, S. | Deposit date: | 2007-03-12 | Release date: | 2007-04-24 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Stacking Tryptophan of Galactose Oxidase: A Second-Coordination Sphere Residue that Has Profound Effects on Tyrosyl Radical Behavior and Enzyme Catalysis Biochemistry, 46, 2007
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