4IEY
| Cys-persulfenate bound Cysteine Dioxygenase at pH 7.0 in the presence of Cys, home-source structure | Descriptor: | Cysteine dioxygenase type 1, FE (II) ION, S-HYDROPEROXYCYSTEINE | Authors: | Driggers, C.M, Cooley, R.B, Karplus, P.A. | Deposit date: | 2012-12-13 | Release date: | 2013-06-26 | Last modified: | 2013-09-11 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Cysteine Dioxygenase Structures from pH4 to 9: Consistent Cys-Persulfenate Formation at Intermediate pH and a Cys-Bound Enzyme at Higher pH. J.Mol.Biol., 425, 2013
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4KW3
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4L8B
| Crystal structure of the H2Db in complex with the NP-N5H peptide | Descriptor: | Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, H-2 class I histocompatibility antigen, ... | Authors: | Rossjohn, J, Gras, S. | Deposit date: | 2013-06-16 | Release date: | 2013-10-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Acute emergence and reversion of influenza A virus quasispecies within CD8(+) T cell antigenic peptides. Nat Commun, 4, 2013
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4IX7
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8GOG
| Structure of streptavidin mutant (S112Y-K121E) complexed with biotin-cyclopentadienyl-rhodium (III)(Cp*-Rh(III)) | Descriptor: | CHLORIDE ION, GLYCEROL, RHODIUM(III) ION, ... | Authors: | Sairaman, A, Mukherjee, P, Maiti, D, Bhaumik, P. | Deposit date: | 2022-08-24 | Release date: | 2024-02-28 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Enantiodivergent synthesis of isoindolones catalysed by a Rh(III)-based artificial metalloenzyme Nat Synth, 2024
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4DDC
| EVAL processed HEWL, cisplatin DMSO NAG silicone oil | 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 (1.8 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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4DO8
| Crystal structure of the muscarinic toxin MT1 | Descriptor: | ACETATE ION, Muscarinic toxin 1, THIOCYANATE ION | Authors: | Fruchart-Gaillard, C, Mournier, G, Vera, L, Servent, D, Stura, E.A. | Deposit date: | 2012-02-09 | Release date: | 2012-06-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | Engineering of three-finger fold toxins creates ligands with original pharmacological profiles for muscarinic and adrenergic receptors. Plos One, 7, 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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4N99
| E. coli sliding clamp in complex with 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-7-carboxylic acid | Descriptor: | 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-7-carboxylic acid, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Yin, Z, Oakley, A.J. | Deposit date: | 2013-10-19 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach. J.Med.Chem., 57, 2014
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4NIO
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4JTN
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4DD3
| EVAL processed HEWL, carboplatin aqueous paratone | Descriptor: | 2-methylprop-1-ene, CHLORIDE ION, 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 (1.7 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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4NHS
| X-ray structure of the complex between hen egg white lysozyme and pentachlorocarbonyliridate(III) (9 days) | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | Authors: | Petruk, A.A, Bikiel, D.E, Vergara, A, Merlino, A. | Deposit date: | 2013-11-05 | Release date: | 2014-09-17 | Last modified: | 2015-06-24 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Interaction between proteins and Ir based CO releasing molecules: mechanism of adduct formation and CO release. Inorg.Chem., 53, 2014
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4NIJ
| X-ray structure of the complex between hen egg white lysozyme and pentachlorocarbonyliridate(III) (30 days) | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | Authors: | Petruk, A.A, Bikiel, D.E, Vergara, A, Merlino, A. | Deposit date: | 2013-11-06 | Release date: | 2014-09-17 | Last modified: | 2015-06-24 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Interaction between proteins and Ir based CO releasing molecules: mechanism of adduct formation and CO release. Inorg.Chem., 53, 2014
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4DVG
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4NHP
| X-ray structure of the complex between the hen egg white lysozyme and pentachlorocarbonyliridate (III) (4 days) | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | Authors: | Petruk, A.A, Bikiel, D.E, Vergara, A, Merlino, A. | Deposit date: | 2013-11-05 | Release date: | 2014-09-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Interaction between proteins and Ir based CO releasing molecules: mechanism of adduct formation and CO release. Inorg.Chem., 53, 2014
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4NHT
| X-ray structure of the complex between hen egg white lysozyme and pentachlorocarbonyliridate(III) (6 days) | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | Authors: | Petruk, A.A, Bikiel, D.E, Vergara, A, Merlino, A. | Deposit date: | 2013-11-05 | Release date: | 2014-09-17 | Last modified: | 2015-06-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Interaction between proteins and Ir based CO releasing molecules: mechanism of adduct formation and CO release. Inorg.Chem., 53, 2014
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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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4HGF
| Crystal structure of P450 BM3 5F5K heme domain variant complexed with styrene | Descriptor: | Bifunctional P-450/NADPH-P450 reductase, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Shehzad, A, Panneerselvam, S, Bocola, M, Mueller-Dieckmann, J, Wilmanns, M, Schwaneberg, U. | Deposit date: | 2012-10-08 | Release date: | 2013-05-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | P450 BM3 crystal structures reveal the role of the charged surface residue Lys/Arg184 in inversion of enantioselective styrene epoxidation. Chem.Commun.(Camb.), 49, 2013
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4JTO
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3Q91
| Crystal Structure of Human Uridine Diphosphate Glucose Pyrophosphatase (NUDT14) | Descriptor: | Uridine diphosphate glucose pyrophosphatase | Authors: | Tresaugues, L, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Ekblad, T, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Thorsell, A.G, Van Der Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Nordlund, P, Structural Genomics Consortium (SGC) | Deposit date: | 2011-01-07 | Release date: | 2011-02-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of Human Uridine Diphosphate Glucose Pyrophosphatase (NUDT14) To be Published
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4N98
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4N95
| E. coli sliding clamp in complex with 5-chloroindoline-2,3-dione | Descriptor: | 5-chloro-1H-indole-2,3-dione, CALCIUM ION, CHLORIDE ION, ... | Authors: | Yin, Z, Oakley, A.J. | Deposit date: | 2013-10-19 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach. J.Med.Chem., 57, 2014
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4HGH
| Crystal structure of P450 BM3 5F5 heme domain variant complexed with styrene (dataset I) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450/NADPH-P450 reductase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Shehzad, A, Panneerselvam, S, Bocola, M, Mueller-Dieckmann, J, Wilmanns, M, Schwaneberg, U. | Deposit date: | 2012-10-08 | Release date: | 2013-05-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | P450 BM3 crystal structures reveal the role of the charged surface residue Lys/Arg184 in inversion of enantioselective styrene epoxidation. Chem.Commun.(Camb.), 49, 2013
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8HNE
| Crystal structure of the ancestral GH19 chitinase Anc4 | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Anc4, ... | Authors: | Kozome, D, Laurino, P. | Deposit date: | 2022-12-07 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Emergence of antifungal activity in GH19 chitinases through gain-of-function in a remote loop. To Be Published
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