1MW7
| X-RAY STRUCTURE OF Y162_HELPY NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET PR6 | Descriptor: | HYPOTHETICAL PROTEIN HP0162 | Authors: | Kuzin, A, Shen, J, Keller, J.P, Xiao, R, Rost, B, Montelione, G, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2002-09-27 | Release date: | 2003-01-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-RAY STRUCTURE OF Y162_HELPY NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET PR6 To be published
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5JA3
| Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta- NADPH and 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-4'-methoxy-[1,1'-b iphenyl]-4-carboxylic acid (UCP1106) | Descriptor: | 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-4-methoxy-phenyl]benzoic acid, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Hajian, B, Anderson, A.C. | Deposit date: | 2016-04-11 | Release date: | 2016-08-24 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.814 Å) | Cite: | Propargyl-Linked Antifolates Are Potent Inhibitors of Drug-Sensitive and Drug-Resistant Mycobacterium tuberculosis. Plos One, 11, 2016
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1N3F
| Crystal structure of I-CreI bound to a palindromic DNA sequence II (palindrome of right side of wildtype DNA target sequence) | Descriptor: | 5'-D(*CP*GP*AP*AP*AP*CP*TP*GP*TP*CP*TP*CP*GP*A)-3', 5'-D(P*GP*AP*CP*AP*GP*TP*TP*TP*CP*G-3'), CALCIUM ION, ... | Authors: | Chevalier, B, Turmel, M, Lemieux, C, Monnat, R.J, Stoddard, B.L. | Deposit date: | 2002-10-28 | Release date: | 2003-06-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Flexible DNA Target Site Recognition by Divergent Homing Endonuclease Isoschizomers I-CreI and I-MsoI J.Mol.Biol., 329, 2003
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1N42
| Crystal Structure of Annexin V R149E Mutant | Descriptor: | Annexin V, CALCIUM ION, SULFATE ION | Authors: | Mo, Y.D, Campos, B, Mealy, T.R, Commodore, L, Head, J.F, Dedman, J.R, Seaton, B.A. | Deposit date: | 2002-10-30 | Release date: | 2003-02-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Interfacial basic cluster in annexin V couples phospholipid binding and trimer formation on membrane surfaces J.Biol.Chem., 278, 2003
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5JE7
| Human carbonic anhydrase II (F131Y) complexed with benzo[d]thiazole-2-sulfonamide | Descriptor: | 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. | Deposit date: | 2016-04-17 | Release date: | 2017-01-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
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1N44
| Crystal Structure of Annexin V R23E Mutant | Descriptor: | Annexin V, CALCIUM ION, SULFATE ION | Authors: | Mo, Y.D, Campos, B, Mealy, T.R, Commodore, L, Head, J.F, Dedman, J.R, Seaton, B.A. | Deposit date: | 2002-10-30 | Release date: | 2003-02-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Interfacial basic cluster in anexin V couples phospholipid binding and trimer formation on membrane surfaces J.Biol.Chem., 278, 2003
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1MQY
| NMR solution structure of type-B lantibiotics mersacidin in DPC micelles | Descriptor: | LANTIBIOTIC MERSACIDIN | Authors: | Hsu, S.-T, Breukink, E, Bierbaum, G, Sahl, H.-G, de Kruijff, B, Kaptein, R, van Nuland, N.A, Bonvin, A.M. | Deposit date: | 2002-09-17 | Release date: | 2003-03-11 | Last modified: | 2018-08-08 | Method: | SOLUTION NMR | Cite: | NMR Study of Mersacidin and Lipid II Interaction in Dodecylphosphocholine Micelles. Conformational Changes are a Key to Antimicrobial Activity J.Biol.Chem., 278, 2003
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1MRU
| Intracellular Ser/Thr protein kinase domain of Mycobacterium tuberculosis PknB. | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Probable serine/threonine-protein kinase pknB | Authors: | Young, T.A, Delagoutte, B, Endrizzi, J.A, Alber, T, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2002-09-18 | Release date: | 2003-02-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of Mycobacterium tuberculosis PknB supports a universal activation mechanism for Ser/Thr protein kinases. Nat.Struct.Biol., 10, 2003
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1N3E
| Crystal structure of I-CreI bound to a palindromic DNA sequence I (palindrome of left side of wildtype DNA target sequence) | Descriptor: | 5'-D(*CP*GP*AP*AP*AP*AP*CP*GP*TP*CP*GP*TP*AP*C)-3', 5'-D(P*GP*AP*CP*GP*TP*TP*TP*TP*CP*G)-3', CALCIUM ION, ... | Authors: | Chevalier, B, Turmel, M, Lemieux, C, Monnat, R.J, Stoddard, B.L. | Deposit date: | 2002-10-28 | Release date: | 2003-06-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Flexible DNA Target Site Recognition by Divergent Homing Endonuclease Isoschizomers I-CreI and I-MsoI J.Mol.Biol., 329, 2003
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1MQZ
| NMR solution structure of type-B lantibiotics mersacidin bound to lipid II in DPC micelles | Descriptor: | LANTIBIOTIC MERSACIDIN | Authors: | Hsu, S.-T, Breukink, E, Bierbaum, G, Sahl, H.-G, de Kruijff, B, Kaptein, R, van Nuland, N.A, Bonvin, A.M. | Deposit date: | 2002-09-17 | Release date: | 2003-03-11 | Last modified: | 2018-08-08 | Method: | SOLUTION NMR | Cite: | NMR Study of Mersacidin and Lipid II Interaction in Dodecylphosphocholine Micelles. Conformational Changes are a Key to Antimicrobial Activity J.Biol.Chem., 278, 2003
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1MUE
| Thrombin-Hirugen-L405,426 | Descriptor: | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDO-2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUOROPHENYL)METHYL]ACETAMIDE, HIRUDIN IIB, THROMBIN | Authors: | Burgey, C.S, Robinson, K.A, Lyle, T.A, Nantermet, P.G, Selnick, H.G, Isaacs, R.C, Lewis, S.D, Lucas, B.J, Krueger, J.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Lyle, E.A, Stranieri, M.T, Cook, J.J, McMasters, D.R, Pellicore, J.M, Pal, S, Wallace, A.A, Clayton, F.C, Bohn, D, Welsh, D.C, Lynch, J.J, Yan, Y, Chen, Z, Kuo, L, Gardell, S.J, Shafer, J.A, Vacca, J.P. | Deposit date: | 2002-09-23 | Release date: | 2004-04-06 | Last modified: | 2013-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Pharmacokinetic optimization of 3-amino-6-chloropyrazinone acetamide thrombin inhibitors. Implementation of P3 pyridine N-oxides to deliver an orally bioavailable series containing P1 N-benzylamides. Bioorg.Med.Chem.Lett., 13, 2003
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1MU6
| Crystal Structure of Thrombin in Complex with L-378,622 | Descriptor: | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-6-PYRIDINYL)METHYL]ACETAMIDE, HIRUDIN IIB, THROMBIN | Authors: | Burgey, C.S, Robinson, K.A, Lyle, T.A, Sanderson, P.E, Lewis, S.D, Lucas, B.J, Krueger, J.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Lyle, E.A, Williams, P.D, Coburn, C.A, Dorsey, B.D, Barrow, J.C, Stranieri, M.T, Holahan, M.A, Sitko, G.R, Cook, J.J, McMasters, D.R, McDonough, C.M, Sanders, W.M, Wallace, A.A, Clayton, F.C, Bohn, D, Leonard, Y.M, Detwiler Jr, T.J, Lynch Jr, J.J, Yan, Y, Chen, Z, Kuo, L, Gardell, S.J, Shafer, J.A, Vacca, J.P.J. | Deposit date: | 2002-09-23 | Release date: | 2004-04-06 | Last modified: | 2021-07-21 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Metabolism-directed optimization of 3-aminopyrazinone acetamide thrombin inhibitors. Development of an orally bioavailable series containing P1 and P3 pyridines. J.Med.Chem., 46, 2003
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8UUO
| Prototypic SARS-CoV-2 spike (containing V417) in the open conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, alpha-D-mannopyranose, ... | Authors: | Geng, Q, Liu, B, Li, F. | Deposit date: | 2023-11-01 | Release date: | 2023-11-29 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Lys417 acts as a molecular switch that regulates the conformation of SARS-CoV-2 spike protein. Elife, 12, 2023
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8UUM
| Prototypic SARS-CoV-2 spike (containing K417) in the open conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, alpha-D-mannopyranose, ... | Authors: | Geng, Q, Liu, B, Li, F. | Deposit date: | 2023-11-01 | Release date: | 2023-11-29 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Lys417 acts as a molecular switch that regulates the conformation of SARS-CoV-2 spike protein. Elife, 12, 2023
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8UUN
| Prototypic SARS-CoV-2 spike (containing V417) in the closed conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Geng, Q, Liu, B, Li, F. | Deposit date: | 2023-11-01 | Release date: | 2023-11-29 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Lys417 acts as a molecular switch that regulates the conformation of SARS-CoV-2 spike protein. Elife, 12, 2023
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8UUL
| Prototypic SARS-CoV-2 spike (containing K417) in the closed conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Geng, Q, Liu, B, Li, F. | Deposit date: | 2023-11-01 | Release date: | 2023-11-29 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Lys417 acts as a molecular switch that regulates the conformation of SARS-CoV-2 spike protein. Elife, 12, 2023
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8X3H
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7YXW
| Structure of the p22phox A200G mutant in complex with p47phox peptide | Descriptor: | Cytochrome b-245 light chain, Neutrophil cytosol factor 1 | Authors: | Cukier, C.D, Vuillard, L.M, Komjati, B, Szlavik, Z. | Deposit date: | 2022-02-16 | Release date: | 2022-03-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Targeting NOX2 via p47/phox-p22/phox Inhibition with Novel Triproline Mimetics Acs Med.Chem.Lett., 13, 2022
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4F1U
| Subatomic resolution structure of a high affinity periplasmic phosphate-binding protein (PfluDING) bound with phosphate at pH 4.5 | Descriptor: | 1,2-ETHANEDIOL, HYDROGENPHOSPHATE ION, Putative alkaline phosphatase, ... | Authors: | Liebschner, D, Elias, M, Tawfik, D.S, Moniot, S, Fournier, B, Scott, K, Jelsch, C, Guillot, B, Lecomte, C, Chabriere, E. | Deposit date: | 2012-05-07 | Release date: | 2012-05-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | The molecular basis of phosphate discrimination in arsenate-rich environments. Nature, 491, 2012
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8X5J
| The Crystal Structure of PARP5A from Biortus. | Descriptor: | 1,2-ETHANEDIOL, L(+)-TARTARIC ACID, Poly [ADP-ribose] polymerase, ... | Authors: | Wang, F, Cheng, W, Yuan, Z, Qi, J, Wu, B. | Deposit date: | 2023-11-17 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Crystal Structure of PARP5A from Biortus. To Be Published
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8WP9
| Small-heat shock protein from Methanocaldococcus jannaschii, Hsp16.5 | Descriptor: | Small heat shock protein HSP16.5 | Authors: | Lee, J, Ryu, B, Kim, T, Kim, K.K. | Deposit date: | 2023-10-09 | Release date: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (2.49 Å) | Cite: | Cryo-EM structure of a 16.5-kDa small heat-shock protein from Methanocaldococcus jannaschii. Int.J.Biol.Macromol., 258, 2024
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4F1V
| Subatomic resolution structure of a high affinity periplasmic phosphate-binding protein (PfluDING) bound with phosphate at pH 8.5 | Descriptor: | HYDROGENPHOSPHATE ION, Putative alkaline phosphatase, SULFATE ION | Authors: | Liebschner, D, Elias, M, Tawfik, D.S, Moniot, S, Fournier, B, Scott, K, Jelsch, C, Guillot, B, Lecomte, C, Chabriere, E. | Deposit date: | 2012-05-07 | Release date: | 2012-05-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (0.88 Å) | Cite: | The molecular basis of phosphate discrimination in arsenate-rich environments. Nature, 491, 2012
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8VE0
| Human transthyretin covalently modified with A2-derived stilbene in the compressed conformation | Descriptor: | 3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoic acid, Transthyretin | Authors: | Basanta, B, Nugroho, K, Yan, N, Kline, G.M, Tsai, F.J, Wu, M, Kelly, J.W, Lander, G.C. | Deposit date: | 2023-12-18 | Release date: | 2024-01-31 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | The conformational landscape of human transthyretin revealed by cryo-EM To Be Published
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7Z05
| White Bream virus N7-Methyltransferase | Descriptor: | DI(HYDROXYETHYL)ETHER, Non-structural protein 1, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Shannon, A, Gauffre, P, Canard, B, Ferron, F. | Deposit date: | 2022-02-22 | Release date: | 2022-09-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | A second type of N7-guanine RNA cap methyltransferase in an unusual locus of a large RNA virus genome. Nucleic Acids Res., 50, 2022
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7YR5
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