8PH5
| X-ray structure of the adduct formed upon reaction of Lysozyme with [Ru2Cl(DPhF)2(O2CCH3)2] in condition B | Descriptor: | 1-oxidanyl-6,8,9,11-tetraphenyl-2,4-dioxa-6,8,9,11-tetraza-1$l^{5},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lysozyme C | Authors: | Teran, A, Ferraro, G, Merlino, A. | Deposit date: | 2023-06-19 | Release date: | 2023-09-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Steric hindrance and charge influence on the cytotoxic activity and protein binding properties of diruthenium complexes. Int.J.Biol.Macromol., 253, 2023
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1D9I
| STRUCTURE OF THROMBIN COMPLEXED WITH SELECTIVE NON-ELECTOPHILIC INHIBITORS HAVING CYCLOHEXYL MOIETIES AT P1 | Descriptor: | (5S)-N-[(trans-4-aminocyclohexyl)methyl]-1,3-dioxo-2-[2-(phenylsulfonyl)ethyl]-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide, HIRUGEN, SODIUM ION, ... | Authors: | Krishnan, R, Mochalkin, I, Arni, R, Tulinsky, A. | Deposit date: | 1999-10-27 | Release date: | 2000-10-30 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of thrombin complexed with selective non-electrophilic inhibitors having cyclohexyl moieties at P1. Acta Crystallogr.,Sect.D, 56, 2000
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7QBS
| B12-dependent radical SAM methyltransferase, Mmp10 with [4Fe-4S] cluster, cobalamin, S-adenosyl-L-methionine, and peptide bound. | Descriptor: | CO-METHYLCOBALAMIN, FE (III) ION, IRON/SULFUR CLUSTER, ... | Authors: | Bernardo-Garcia, N, Fyfe, C.D, Chavas, L.M.G, Legrand, P, Benjdia, A, Berteau, O. | Deposit date: | 2021-11-19 | Release date: | 2022-02-02 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.327 Å) | Cite: | Crystallographic snapshots of a B 12 -dependent radical SAM methyltransferase. Nature, 602, 2022
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2VO9
| CRYSTAL STRUCTURE OF THE ENZYMATICALLY ACTIVE DOMAIN OF THE LISTERIA MONOCYTOGENES BACTERIOPHAGE 500 ENDOLYSIN PLY500 | Descriptor: | L-ALANYL-D-GLUTAMATE PEPTIDASE, SULFATE ION, ZINC ION | Authors: | Korndoerfer, I.P, Kanitz, A, Skerra, A. | Deposit date: | 2008-02-09 | Release date: | 2008-02-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Analysis of the L-Alanoyl-D-Glutamate Endopeptidase Domain of Listeria Bacteriophage Endolysin Ply500 Reveals a New Member of the Las Peptidase Family. Acta Crystallogr.,Sect.D, 64, 2008
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3EQB
| X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | Authors: | Ohren, J.F, Pavlovsky, A, Zhang, E. | Deposit date: | 2008-09-30 | Release date: | 2008-11-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | 2-Alkylamino- and alkoxy-substituted 2-amino-1,3,4-oxadiazoles-O-Alkyl benzohydroxamate esters replacements retain the desired inhibition and selectivity against MEK (MAP ERK kinase). Bioorg.Med.Chem.Lett., 18, 2008
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6YBH
| Deoxyribonucleoside Kinase | Descriptor: | Deoxynucleoside kinase, GLYCEROL, Pyrrolo-dC, ... | Authors: | Allouche-Arnon, H, Bar-Shir, A, Dym, O. | Deposit date: | 2020-03-17 | Release date: | 2021-03-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Computationally designed dual-color MRI reporters for noninvasive imaging of transgene expression. Nat.Biotechnol., 40, 2022
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4PDE
| Crystal structure of FdhD in complex with GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Protein FdhD | Authors: | Arnoux, P, Walburger, A, Magalon, A, Pignol, D. | Deposit date: | 2014-04-18 | Release date: | 2015-05-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Sulphur shuttling across a chaperone during molybdenum cofactor maturation. Nat Commun, 6, 2015
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6O28
| Crystal structure of 4493 Fab in complex with circumsporozoite protein KQPA and anti-kappa VHH domain | Descriptor: | 1,2-ETHANEDIOL, 4493 Fab heavy chain, 4493 Kappa light chain, ... | Authors: | Scally, S.W, Bosch, A, Prieto, K, Murugan, R, Wardemann, H, Julien, J.P. | Deposit date: | 2019-02-22 | Release date: | 2020-07-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Evolution of protective human antibodies against Plasmodium falciparum circumsporozoite protein repeat motifs. Nat. Med., 26, 2020
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6NT0
| Catalase 3 from N.Crassa in ferrous state, X-ray reduced (1.315 MGy) | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Catalase-3, ... | Authors: | Zarate-Romero, A, Rudino-Pinera, E, Stojanoff, V. | Deposit date: | 2019-01-27 | Release date: | 2019-05-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | X-ray driven reduction of Cpd I of Catalase-3 from N. crassa reveals differential sensitivity of active sites and formation of ferrous state. Arch.Biochem.Biophys., 666, 2019
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1K9E
| Crystal structure of a mutated family-67 alpha-D-glucuronidase (E285N) from Bacillus stearothermophilus T-6, complexed with 4-O-methyl-glucuronic acid | Descriptor: | 4-O-methyl-alpha-D-glucopyranuronic acid, GLYCEROL, alpha-D-glucuronidase | Authors: | Golan, G, Shallom, D, Teplitsky, A, Zaide, G, Shulami, S, Baasov, T, Stojanoff, V, Thompson, A, Shoham, Y, Shoham, G. | Deposit date: | 2001-10-29 | Release date: | 2002-10-29 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal Structures of Geobacillus stearothermophilus {alpha}-Glucuronidase Complexed with Its Substrate and Products: MECHANISTIC IMPLICATIONS. J.Biol.Chem., 279, 2004
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2N1T
| Dynamic binding mode of a synaptotagmin-1-SNARE complex in solution | Descriptor: | Synaptosomal-associated protein 25, Synaptotagmin-1, Syntaxin-1A, ... | Authors: | Brewer, K, Bacaj, T, Cavalli, A, Camilloni, C, Swarbrick, J, Liu, J, Zhou, A, Zhou, P, Barlow, N, Xu, J, Seven, A, Prinslow, E, Voleti, R, Haussinger, D, Bonvin, A, Tomchick, D, Vendruscolo, M, Graham, B, Sudhof, T, Rizo, J. | Deposit date: | 2015-04-21 | Release date: | 2015-06-03 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Dynamic binding mode of a Synaptotagmin-1-SNARE complex in solution. Nat.Struct.Mol.Biol., 22, 2015
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6O2A
| Crystal structure of 4493 Fab in complex with circumsporozoite protein NDN and anti-kappa VHH domain | Descriptor: | 1,2-ETHANEDIOL, 4493 Fab heavy chain, 4493 Kappa light chain, ... | Authors: | Scally, S.W, Bosch, A, Prieto, K, Murugan, R, Wardemann, H, Julien, J.P. | Deposit date: | 2019-02-22 | Release date: | 2020-07-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Evolution of protective human antibodies against Plasmodium falciparum circumsporozoite protein repeat motifs. Nat. Med., 26, 2020
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2VXG
| Crystal structure of the conserved C-terminal region of Ge-1 | Descriptor: | CG6181-PA, ISOFORM A | Authors: | Jinek, M, Eulalio, A, Lingel, A, Helms, S, Conti, E, Izaurralde, E. | Deposit date: | 2008-07-04 | Release date: | 2008-09-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The C-Terminal Region of Ge-1 Presents Conserved Structural Features Required for P-Body Localization. RNA, 14, 2008
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7SSJ
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3VGJ
| Crystal of Plasmodium falciparum tyrosyl-tRNA synthetase (PfTyrRS)in complex with adenylate analog | Descriptor: | ADENOSINE MONOPHOSPHATE, TYROSINE, Tyrosyl-tRNA synthetase, ... | Authors: | Banday, M.M, Yogavel, M, Bhatt, T.K, Khan, S, Sharma, A, Sharma, A. | Deposit date: | 2011-08-14 | Release date: | 2012-07-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.212 Å) | Cite: | Malaria parasite tyrosyl-tRNA synthetase secretion triggers pro-inflammatory responses. Nat Commun, 2, 2011
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2WD1
| Human c-Met Kinase in complex with azaindole inhibitor | Descriptor: | 1-[(2-NITROPHENYL)SULFONYL]-1H-PYRROLO[3,2-B]PYRIDINE-6-CARBOXAMIDE, GAMMA-BUTYROLACTONE, HEPATOCYTE GROWTH FACTOR RECEPTOR | Authors: | Porter, J, Lumb, S, Franklin, R.J, Gascon-Simorte, J.M, Calmiano, M, Le Riche, K, Lallemand, B, Keyaerts, J, Edwards, H, Maloney, A, Delgado, J, King, L, Foley, A, Lecomte, F, Reuberson, J, Meier, C, Batchelor, M. | Deposit date: | 2009-03-19 | Release date: | 2009-04-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of 4-Azaindoles as Novel Inhibitors of C- met Kinase. Bioorg.Med.Chem.Lett., 19, 2009
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6YM5
| Crystal structure of BAY-091 with PIP4K2A | Descriptor: | (2~{R})-2-[[3-cyano-2-[4-(2-fluoranyl-3-methyl-phenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanoic acid, PHOSPHATE ION, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | Authors: | Holton, S.J, Wortmann, L, Braeuer, N, Irlbacher, H, Weiske, J, Lechner, C, Meier, R, Puetter, V, Christ, C, ter Laak, T, Lienau, P, Lesche, R, Nicke, B, Bauser, M, Haegebarth, A, von Nussbaum, F, Mumberg, D, Lemos, C. | Deposit date: | 2020-04-07 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery and Characterization of the Potent and Highly Selective 1,7-Naphthyridine-Based Inhibitors BAY-091 and BAY-297 of the Kinase PIP4K2A. J.Med.Chem., 64, 2021
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6O25
| Crystal structure of 3945 Fab in complex with circumsporozoite protein NANP3 and anti-Kappa VHH domain | Descriptor: | 3945 Fab heavy chain, 3945 Kappa light chain, Anti-Kappa VHH domain, ... | Authors: | Scally, S.W, Bosch, A, Prieto, K, Murugan, R, Wardemann, H, Julien, J.P. | Deposit date: | 2019-02-22 | Release date: | 2020-07-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Evolution of protective human antibodies against Plasmodium falciparum circumsporozoite protein repeat motifs. Nat. Med., 26, 2020
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7ZY3
| Room temperature structure of Archaerhodopsin-3 obtained 110 ns after photoexcitation | Descriptor: | Archaerhodopsin-3, CALCIUM ION, CHLORIDE ION, ... | Authors: | Kwan, T.O.C, Judge, P.J, Moraes, I, Watts, A, Axford, D, Bada Juarez, J.F. | Deposit date: | 2022-05-23 | Release date: | 2023-06-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A versatile approach to high-density microcrystals in lipidic cubic phase for room-temperature serial crystallography. J.Appl.Crystallogr., 56, 2023
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1CEH
| STRUCTURE AND FUNCTION OF THE CATALYTIC SITE MUTANT ASP99ASN OF PHOSPHOLIPASE A2: ABSENCE OF CONSERVED STRUCTURAL WATER | Descriptor: | CALCIUM ION, PHOSPHOLIPASE A2 | Authors: | Kumar, A, Sekharudu, C, Ramakrishnan, B, Dupureur, C.M, Zhu, H, Tsai, M.-D, Sundaralingam, M. | Deposit date: | 1994-11-16 | Release date: | 1995-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure and function of the catalytic site mutant Asp 99 Asn of phospholipase A2: absence of the conserved structural water. Protein Sci., 3, 1994
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1D5V
| SOLUTION STRUCTURE OF THE FORKHEAD DOMAIN OF THE ADIPOCYTE-TRANSCRIPTION FACTOR FREAC-11 (S12) | Descriptor: | S12 TRANSCRIPTION FACTOR (FKH-14) | Authors: | van Dongen, M.J.P, Cederberg, A, Carlsson, P, Enerback, S, Wikstrom, M. | Deposit date: | 1999-10-12 | Release date: | 2000-10-11 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure and dynamics of the DNA-binding domain of the adipocyte-transcription factor FREAC-11. J.Mol.Biol., 296, 2000
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3OA9
| Effector domain of influenza A/Duck/Albany/76 NS1 | Descriptor: | Non-structural protein 1 | Authors: | Kerry, P.S, Lewis, A, Hale, B.G, Hass, C, Taylor, M.A, Randall, R.E, Russell, R.J.M. | Deposit date: | 2010-08-05 | Release date: | 2011-05-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A Transient Homotypic Interaction Model for the Influenza A Virus NS1 Protein Effector Domain. Plos One, 6, 2011
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7FIO
| LecA from Pseudomonas aeruginosa in complex with a synthetic monovalent galactosidic inhibitor | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, N-[2-[4-[(2S)-3-(2-hydroxyethylamino)-3-oxidanylidene-2-(2-phenoxyethanoylamino)propyl]-1,2,3-triazol-1-yl]ethyl]-4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-benzamide, ... | Authors: | Kuhaudomlarp, S, Siebs, E, da Silva Figueiredo Celestino Gomes, P, Fortin, C, Rognan, D, Rademacher, C, Imberty, A, Titz, A. | Deposit date: | 2021-07-31 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Targeting the Central Pocket of the Pseudomonas aeruginosa Lectin LecA. Chembiochem, 23, 2022
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2VD5
| Structure of Human Myotonic Dystrophy Protein Kinase in Complex with the Bisindoylmaleide inhibitor BIM VIII | Descriptor: | 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1-METHYL-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, DMPK PROTEIN | Authors: | Pike, A.C.W, Amos, A, Elkins, J, Bullock, A, Guo, K, Fedorov, O, Bunkoczi, G, Filippakopoulos, P, Pilka, E.S, Ugochukwu, E, Umeano, C, Niesen, F, Sundstrom, M, Weigelt, J, Edwards, A, Arrowsmith, C.H, von Delft, F, Knapp, S. | Deposit date: | 2007-09-30 | Release date: | 2007-11-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of Dystrophia Myotonica Protein Kinase. Protein Sci., 18, 2009
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6O3R
| Crystal Structure of NDM-1 D199N with Compound 7 | Descriptor: | Carbapenem Hydrolyzing Class B Metallo beta lactamase NDM-1, ZINC ION, [(5-methoxy-7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2019-02-27 | Release date: | 2019-09-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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