6FFK
| Human apo-SOD1 bound to PtCl2(1R,2R-1,4-DACH | Descriptor: | PtCl2(1(R),2(R)-DACH), Superoxide dismutase [Cu-Zn] | Authors: | Calderone, V, Nativi, C, Cantini, F, Di Cesare Mannelli, L. | Deposit date: | 2018-01-08 | Release date: | 2018-11-28 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Interaction of Half Oxa-/Halfcis-Platin Complex with Human Superoxide Dismutase and Induced Reduction of Neurotoxicity. ACS Med Chem Lett, 9, 2018
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1DWN
| Structure of bacteriophage PP7 from Pseudomonas aeruginosa at 3.7 A resolution | Descriptor: | PHAGE COAT PROTEIN | Authors: | Tars, K, Fridborg, K, Bundule, M, Liljas, L. | Deposit date: | 1999-12-09 | Release date: | 2000-02-07 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structure Determination of Phage Pp7 from Pseudomonas Aeruginosa: From Poor Data to a Good Map Acta Crystallogr.,Sect.D, 56, 2000
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1E2J
| The nucleoside binding site of Herpes simplex type 1 thymidine kinase analyzed by X-ray crystallography | Descriptor: | SULFATE ION, THYMIDINE, THYMIDINE KINASE | Authors: | Vogt, J, Scapozza, L, Schulz, G.E. | Deposit date: | 2000-05-23 | Release date: | 2000-11-06 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Nucleoside Binding Site of Herpes Simplex Type 1 Thymidine Kinase Analyzed by X-Ray Crystallography Proteins: Struct.,Funct., Genet., 41, 2000
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1E2H
| The nucleoside binding site of Herpes simplex type 1 thymidine kinase analyzed by X-ray crystallography | Descriptor: | SULFATE ION, THYMIDINE KINASE | Authors: | Vogt, J, Scapozza, L, Schulz, G.E. | Deposit date: | 2000-05-23 | Release date: | 2000-11-06 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Nucleoside Binding Site of Herpes Simplex Type 1 Thymidine Kinase Analyzed by X-Ray Crystallography Proteins: Struct.,Funct., Genet., 41, 2000
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1E2I
| The nucleoside binding site of Herpes simplex type 1 thymidine kinase analyzed by X-ray crystallography | Descriptor: | 9-HYDROXYPROPYLADENINE, R-ISOMER, S-ISOMER, ... | Authors: | Vogt, J, Scapozza, L, Schulz, G.E. | Deposit date: | 2000-05-23 | Release date: | 2000-11-06 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Nucleoside Binding Site of Herpes Simplex Type 1 Thymidine Kinase Analyzed by X-Ray Crystallography Proteins, 41, 2000
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1E2N
| HPT + HMTT | Descriptor: | 6-{[4-(HYDROXYMETHYL)-5-METHYL-2,6-DIOXOHEXAHYDROPYRIMIDIN-5-YL]METHYL}-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE, SULFATE ION, THYMIDINE KINASE | Authors: | Vogt, J, Scapozza, L, Schulz, G.E. | Deposit date: | 2000-05-23 | Release date: | 2001-03-31 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Effect of Substrate Binding on the Conformation and Structural Stability of Herpes Simplex Virus Type 1 Thymidine Kinase Protein Sci., 10, 2001
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1E2K
| Kinetics and crystal structure of the wild-type and the engineered Y101F mutant of Herpes simplex virus type 1 thymidine kinase interacting with (North)-methanocarba-thymidine | Descriptor: | 1-[4-HYDROXY-5-(HYDROXYMETHYL)BICYCLO[3.1.0]HEX-2-YL]-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE, SULFATE ION, THYMIDINE KINASE | Authors: | Vogt, J, Scapozza, L, Schulz, G.E. | Deposit date: | 2000-05-23 | Release date: | 2000-08-19 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Kinetics and Crystal Structure of the Wild-Type and the Engineered Y101F Mutant of Herpes Simplex Virus Type 1 Thymidine Kinase Interacting with (North)-Methanocarba-Thymidine Biochemistry, 39, 2000
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1E4D
| Structure of OXA10 beta-lactamase at pH 8.3 | Descriptor: | 1,2-ETHANEDIOL, BETA-LACTAMASE OXA-10, SULFATE ION | Authors: | Maveyraud, L, Golemi, D, Kotra, L.P, Tranier, S, Vakulenko, S, Mobashery, S, Samama, J.P. | Deposit date: | 2000-07-03 | Release date: | 2001-01-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Insights Into Class D Beta-Lactamases are Revealed by the Crystal Structure of the Oxa10 Enzyme from Pseudomonas Aeruginosa Structure, 8, 2000
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4ZZM
| Human ERK2 in complex with an irreversible inhibitor | Descriptor: | 7-ethylsulfonyl-N-(oxan-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine, MITOGEN-ACTIVATED PROTEIN KINASE 1, SULFATE ION | Authors: | Ward, R.A, Colclough, N, Challinor, M, Debreczeni, J.E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, James, M, Jones, C.D, Jones, C.R, Renshaw, J, Roberts, K, Snow, L, Tonge, M, Yeung, K. | Deposit date: | 2015-04-10 | Release date: | 2015-05-27 | Last modified: | 2015-08-26 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structure-Guided Design of Highly Selective and Potent Covalent Inhibitors of Erk1/2. J.Med.Chem., 58, 2015
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4ZN2
| Glycosyl hydrolase from Pseudomonas aeruginosa | Descriptor: | PslG | Authors: | Su, T, Liu, S, Gu, L. | Deposit date: | 2015-05-04 | Release date: | 2016-01-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | PslG, a self-produced glycosyl hydrolase, triggers biofilm disassembly by disrupting exopolysaccharide matrix Cell Res., 25, 2015
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1DDP
| Solution structure of a CISPLATIN-INDUCED [CATAGCTATG]2 Interstrand cross-link | Descriptor: | Cisplatin, DNA (5'-D(*CP*AP*TP*AP*GP*CP*TP*AP*TP*G)-3') | Authors: | Zhu, L, Huang, H, Reid, B.R, Drobny, G.P, Hopkins, P.B. | Deposit date: | 1995-10-26 | Release date: | 1996-03-08 | Last modified: | 2024-03-13 | Method: | SOLUTION NMR | Cite: | Solution structure of a cisplatin-induced DNA interstrand cross-link. Science, 270, 1995
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3ZHI
| N-terminal domain of the CI repressor from bacteriophage TP901-1 | Descriptor: | CI | Authors: | Frandsen, K.H, Rasmussen, K.K, Poulsen, J.N, Lo Leggio, L. | Deposit date: | 2012-12-21 | Release date: | 2013-12-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Binding of the N-Terminal Domain of the Lactococcal Bacteriophage Tp901-1 Ci Repressor to its Target DNA: A Crystallography, Small Angle Scattering, and Nuclear Magnetic Resonance Study. Biochemistry, 52, 2013
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1E25
| The high resolution structure of PER-1 class A beta-lactamase | Descriptor: | EXTENDED-SPECTRUM BETA-LACTAMASE PER-1, SULFATE ION | Authors: | Tranier, S, Bouthors, A.T, Maveyraud, L, Guillet, V, Sougakoff, W, Samama, J.P. | Deposit date: | 2000-05-17 | Release date: | 2000-11-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The High Resolution Crystal Structure for Class a Beta-Lactamase Per-1 Reveals the Bases for its Increase in Breadth of Activity J.Biol.Chem., 275, 2000
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4YFI
| TNNI3K complexed with inhibitor 1 | Descriptor: | N-methyl-3-(9H-purin-6-ylamino)benzenesulfonamide, Serine/threonine-protein kinase TNNI3K | Authors: | Shewchuk, L.M, Wang, L, Lawhorn, B.G. | Deposit date: | 2015-02-25 | Release date: | 2015-09-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Identification of Purines and 7-Deazapurines as Potent and Selective Type I Inhibitors of Troponin I-Interacting Kinase (TNNI3K). J.Med.Chem., 58, 2015
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8BQP
| Hen Egg-White Lysozyme (HEWL) complexed with methyl-functionalised Anderson-Evans polyoxometalate | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | Authors: | Lentink, S, Salazar Marcano, D.E, Moussawi, M.A, Vandebroek, L, Van Meervelt, L, Parac-Vogt, T.N. | Deposit date: | 2022-11-21 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Fine-tuning non-covalent interactions between hybrid metal-oxo clusters and proteins. Faraday Disc.Chem.Soc, 244, 2023
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8BQQ
| Hen Egg-White Lysozyme (HEWL) complexed with amine-functionalised Anderson-Evans polyoxometalate | Descriptor: | CHLORIDE ION, Lysozyme C, Mn-Mo(6)-N(2)-O(24)-C(8) cluster | Authors: | Lentink, S, Salazar Marcano, D.E, Moussawi, M.A, Vandebroek, L, Van Meervelt, L, Parac-Vogt, T.N. | Deposit date: | 2022-11-21 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Fine-tuning non-covalent interactions between hybrid metal-oxo clusters and proteins. Faraday Disc.Chem.Soc, 244, 2023
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8BQR
| Hen Egg-White Lysozyme (HEWL) complexed with biotin-functionalised Anderson-Evans polyoxometalate | Descriptor: | Anderson-Evans polyoxometalate (biotin-functionalised), CALCIUM ION, Lysozyme C | Authors: | Lentink, S, Salazar Marcano, D.E, Moussawi, M.A, Vandebroek, L, Van Meervelt, L, Parac-Vogt, T.N. | Deposit date: | 2022-11-21 | Release date: | 2023-03-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Fine-tuning non-covalent interactions between hybrid metal-oxo clusters and proteins. Faraday Disc.Chem.Soc, 244, 2023
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1PZU
| An asymmetric NFAT1-RHR homodimer on a pseudo-palindromic, Kappa-B site | Descriptor: | 5'-D(*AP*AP*TP*GP*GP*AP*AP*AP*TP*TP*CP*CP*TP*C)-3', 5'-D(*TP*TP*GP*AP*GP*GP*AP*AP*TP*TP*TP*CP*CP*A)-3', Nuclear factor of activated T-cells, ... | Authors: | Jin, L, Sliz, P, Chen, L, Macian, F, Rao, A, Hogan, P.G, Harrison, S.C. | Deposit date: | 2003-07-14 | Release date: | 2003-09-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | An asymmetric NFAT1 dimer on a pseudo-palindromic KB-like DNA site Nat.Struct.Biol., 10, 2003
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8BQT
| Hen Egg-White Lysozyme (HEWL) complexed with two methyl-functionalised Anderson-Evans polyoxometalates | Descriptor: | CHLORIDE ION, Lysozyme C, Mn-Mo(6)-O(24)-C(10) cluster | Authors: | Lentink, S, Salazar Marcano, D.E, Moussawi, M.A, Vandebroek, L, Van Meervelt, L, Parac-Vogt, T.N. | Deposit date: | 2022-11-21 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Fine-tuning non-covalent interactions between hybrid metal-oxo clusters and proteins. Faraday Disc.Chem.Soc, 244, 2023
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1H4W
| Structure of human trypsin IV (brain trypsin) | Descriptor: | BENZAMIDINE, CALCIUM ION, TRYPSIN IVA | Authors: | Katona, G, Berglund, G.I, Hajdu, J, Graf, L, Szilagyi, L. | Deposit date: | 2001-05-15 | Release date: | 2002-02-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure reveals basis for the inhibitor resistance of human brain trypsin. J. Mol. Biol., 315, 2002
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4J0O
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6CM2
| SAMHD1 HD domain bound to decitabine triphosphate | Descriptor: | 6-amino-3-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-3,4-dihydro-1,3,5-triazin-2(1H)-one, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Oellerich, T, Schneider, C, Thomas, D, Knecht, K.M, Buzovetsky, O, Kaderali, L, Schliemann, C, Bohnenberger, H, Angenendt, L, Hartmann, W, Wardelmann, E, Rothenburger, T, Mohr, S, Scheich, S, Comoglio, F, Wilke, A, Strobel, P, Serve, H, Michaelis, M, Ferreiros, N, Geisslinger, G, Xiong, Y, Keppler, O.T, Cinatl, J. | Deposit date: | 2018-03-02 | Release date: | 2019-06-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Selective inactivation of hypomethylating agents by SAMHD1 provides a rationale for therapeutic stratification in AML. Nat Commun, 10, 2019
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6GW9
| Concanavalin A structure determined with data from the EuXFEL, the first MHz free electron laser | Descriptor: | CALCIUM ION, Concanavalin V, MAGNESIUM ION | Authors: | Gruenbein, M.L, Gorel, A, Stricker, M, Bean, R, Bielecki, J, Doerner, K, Hartmann, E, Hilpert, M, Kloos, M, Letrun, R, Sztuk-Dambietz, J, Mancuso, A, Meserschmidt, M, Nass-Kovacs, G, Ramilli, M, Roome, C.M, Sato, T, Doak, R.B, Shoeman, R.L, Foucar, L, Colletier, J.P, Barends, T.R.M, Stan, C, Schlichting, I. | Deposit date: | 2018-06-22 | Release date: | 2018-09-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Megahertz data collection from protein microcrystals at an X-ray free-electron laser. Nat Commun, 9, 2018
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4IYT
| Structure Of The Y184A Mutant Of The PANTON-VALENTINE LEUCOCIDIN S Component From STAPHYLOCOCCUS AUREUS | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, LukS-PV | Authors: | Guerin, F, Laventie, B.J, Prevost, G, Mourey, L, Maveyraud, L. | Deposit date: | 2013-01-29 | Release date: | 2014-01-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Residues essential for panton-valentine leukocidin s component binding to its cell receptor suggest both plasticity and adaptability in its interaction surface Plos One, 9, 2014
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4AC7
| The crystal structure of Sporosarcina pasteurii urease in complex with citrate | Descriptor: | 1,2-ETHANEDIOL, CITRATE ANION, HYDROXIDE ION, ... | Authors: | Benini, S, Kosikowska, P, Cianci, M, Gonzalez Vara, A, Berlicki, L, Ciurli, S. | Deposit date: | 2011-12-14 | Release date: | 2013-01-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Crystal Structure of Sporosarcina Pasteurii Urease in a Complex with Citrate Provides New Hints for Inhibitor Design. J.Biol.Inorg.Chem., 18, 2013
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