5XET
| Crystal structure of Mycobacterium tuberculosis methionyl-tRNA synthetase bound by methionyl-adenylate (Met-AMP) | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Methionine--tRNA ligase, ... | Authors: | Wang, W, Qin, B, Wojdyla, J.A, Wang, M, Gao, X, Cui, S. | Deposit date: | 2017-04-06 | Release date: | 2018-07-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Structural characterization of free-state and product-stateMycobacterium tuberculosismethionyl-tRNA synthetase reveals an induced-fit ligand-recognition mechanism. IUCrJ, 5, 2018
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5XEQ
| Crystal Structure of human MDGA1 and human neuroligin-2 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MAM domain-containing glycosylphosphatidylinositol anchor protein 1, ... | Authors: | Kim, H.M, Kim, J.A, Kim, D. | Deposit date: | 2017-04-05 | Release date: | 2017-07-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.136 Å) | Cite: | Structural Insights into Modulation of Neurexin-Neuroligin Trans-synaptic Adhesion by MDGA1/Neuroligin-2 Complex Neuron, 94, 2017
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5XC3
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1QS2
| CRYSTAL STRUCTURE OF VIP2 WITH NAD | Descriptor: | ADP-RIBOSYLTRANSFERASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Han, S, Craig, J.A, Putnam, C.D, Carozzi, N.B, Tainer, J.A. | Deposit date: | 1999-06-25 | Release date: | 1999-12-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Evolution and mechanism from structures of an ADP-ribosylating toxin and NAD complex. Nat.Struct.Biol., 6, 1999
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1QS1
| CRYSTAL STRUCTURE OF VEGETATIVE INSECTICIDAL PROTEIN2 (VIP2) | Descriptor: | ADP-RIBOSYLTRANSFERASE | Authors: | Han, S, Craig, J.A, Putnam, C.D, Carozzi, N.B, Tainer, J.A. | Deposit date: | 1999-06-25 | Release date: | 1999-12-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Evolution and mechanism from structures of an ADP-ribosylating toxin and NAD complex. Nat.Struct.Biol., 6, 1999
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3ESX
| E16KE61KD126KD150K Flavodoxin from Anabaena | Descriptor: | CALCIUM ION, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | Authors: | Herguedas, B, Hermoso, J.A, Martinez-Julvez, M, Goni, G, Medina, M. | Deposit date: | 2008-10-06 | Release date: | 2009-02-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Flavodoxin: A compromise between efficiency and versatility in the electron transfer from Photosystem I to Ferredoxin-NADP(+) reductase Biochim.Biophys.Acta, 1787, 2009
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5ZO1
| Crystal structure of mouse nectin-like molecule 4 (mNecl-4) full ectodomain (Ig1-Ig3), 2.2A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Cell adhesion molecule 4, GLYCEROL | Authors: | Liu, X, An, T, Li, D, Fan, Z, Xiang, P, Li, C, Ju, W, Li, J, Hu, G, Qin, B, Yin, B, Wojdyla, J.A, Wang, M, Yuan, J, Qiang, B, Shu, P, Cui, S, Peng, X. | Deposit date: | 2018-04-12 | Release date: | 2019-01-30 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Structure of the heterophilic interaction between the nectin-like 4 and nectin-like 1 molecules. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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3ESY
| E16KE61K Flavodoxin from Anabaena | Descriptor: | FLAVIN MONONUCLEOTIDE, Flavodoxin, GLYCEROL | Authors: | Herguedas, B, Martinez-Julvez, M, Hermoso, J.A, Goni, G, Medina, M. | Deposit date: | 2008-10-06 | Release date: | 2009-02-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Flavodoxin: A compromise between efficiency and versatility in the electron transfer from Photosystem I to Ferredoxin-NADP(+) reductase Biochim.Biophys.Acta, 1787, 2009
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3FAL
| humanRXR alpha & mouse LXR alpha complexed with Retenoic acid and GSK2186 | Descriptor: | 2-{4-[butyl(3-chloro-4,5-dimethoxybenzyl)amino]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol, Oxysterols receptor LXR-alpha, RETINOIC ACID, ... | Authors: | Chao, E.Y, Caravella, J.A, Watson, M.A, Campobasso, N, Ghisletti, S, Billin, A.N, Galardi, C, Willson, T.M, Zuercher, W.J, Collins, J.L. | Deposit date: | 2008-11-17 | Release date: | 2009-04-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Structure-guided design of N-phenyl tertiary amines as transrepression-selective liver X receptor modulators with anti-inflammatory activity. J.Med.Chem., 51, 2008
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1MDR
| THE ROLE OF LYSINE 166 IN THE MECHANISM OF MANDELATE RACEMASE FROM PSEUDOMONAS PUTIDA: MECHANISTIC AND CRYSTALLOGRAPHIC EVIDENCE FOR STEREOSPECIFIC ALKYLATION BY (R)-ALPHA-PHENYLGLYCIDATE | Descriptor: | ATROLACTIC ACID (2-PHENYL-LACTIC ACID), MAGNESIUM ION, MANDELATE RACEMASE | Authors: | Landro, J.A, Gerlt, J.A, Kozarich, J.W, Koo, C.W, Shah, V.J, Kenyon, G.L, Neidhart, D.J, Fujita, S, Petsko, G.A. | Deposit date: | 1993-11-19 | Release date: | 1994-08-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The role of lysine 166 in the mechanism of mandelate racemase from Pseudomonas putida: mechanistic and crystallographic evidence for stereospecific alkylation by (R)-alpha-phenylglycidate. Biochemistry, 33, 1994
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5ZO2
| Crystal structure of mouse nectin-like molecule 4 (mNecl-4) full ectodomain in complex with mouse nectin-like molecule 1 (mNecl-1) Ig1 domain, 3.3A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Cell adhesion molecule 3, Cell adhesion molecule 4 | Authors: | Liu, X, An, T, Li, D, Fan, Z, Xiang, P, Li, C, Ju, W, Li, J, Hu, G, Qin, B, Yin, B, Wojdyla, J.A, Wang, M, Yuan, J, Qiang, B, Shu, P, Cui, S, Peng, X. | Deposit date: | 2018-04-12 | Release date: | 2019-01-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.29 Å) | Cite: | Structure of the heterophilic interaction between the nectin-like 4 and nectin-like 1 molecules. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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1S0R
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3F7K
| X-ray Crystal Structure of an Alvinella pompejana Cu,Zn Superoxide Dismutase- Hydrogen Peroxide Complex | Descriptor: | COPPER (I) ION, COPPER (II) ION, Copper,Zinc Superoxide Dismutase, ... | Authors: | Shin, D.S, DiDonato, M, Barondeau, D.P, Getzoff, E.D, Tainer, J.A. | Deposit date: | 2008-11-09 | Release date: | 2009-02-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Superoxide Dismutase from the Eukaryotic Thermophile Alvinella pompejana: Structures, Stability, Mechanism, and Insights into Amyotrophic Lateral Sclerosis. J.Mol.Biol., 385, 2009
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1SHJ
| Caspase-7 in complex with DICA allosteric inhibitor | Descriptor: | 2-(2,4-DICHLORO-PHENOXY)-N-(2-MERCAPTO-ETHYL)-ACETAMIDE, Caspase-7, SULFATE ION | Authors: | Hardy, J.A, Lam, J, Nguyen, J.T, O'Brien, T, Wells, J.A. | Deposit date: | 2004-02-25 | Release date: | 2004-08-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of an allosteric site in the caspases Proc.Natl.Acad.Sci.USA, 101, 2004
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3F7L
| X-ray Crystal Structure of Alvinella pompejana Cu,Zn Superoxide Dismutase | Descriptor: | ACETIC ACID, COPPER (I) ION, COPPER (II) ION, ... | Authors: | Shin, D.S, DiDonato, M, Barondeau, D.P, Getzoff, E.D, Tainer, J.A. | Deposit date: | 2008-11-09 | Release date: | 2009-02-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | Superoxide Dismutase from the Eukaryotic Thermophile Alvinella pompejana: Structures, Stability, Mechanism, and Insights into Amyotrophic Lateral Sclerosis. J.Mol.Biol., 385, 2009
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1SHL
| CASPASE-7 IN COMPLEX WITH FICA ALLOSTERIC INHIBITOR | Descriptor: | 5-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID-(2-MERCAPTO-ETHYL)-AMIDE, Caspase-7 | Authors: | Hardy, J.A, Lam, J, Nguyen, J.T, O'Brien, T, Wells, J.A. | Deposit date: | 2004-02-25 | Release date: | 2004-08-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Discovery of an allosteric site in the caspases Proc.Natl.Acad.Sci.USA, 101, 2004
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6ALR
| VioC L-arginine hydroxylase bound to the vanadyl ion, L-arginine, and succinate | Descriptor: | ARGININE, Alpha-ketoglutarate-dependent L-arginine hydroxylase, SUCCINIC ACID, ... | Authors: | Mitchell, A.J, Dunham, N.P, Bergman, J.A, Boal, A.K. | Deposit date: | 2017-08-08 | Release date: | 2017-09-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Visualizing the Reaction Cycle in an Iron(II)- and 2-(Oxo)-glutarate-Dependent Hydroxylase. J. Am. Chem. Soc., 139, 2017
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6ASI
| E. coli phosphoenolpyruvate carboxykinase G209S mutant bound to methanesulfonate | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, MANGANESE (II) ION, ... | Authors: | Tang, H.Y.H, Shin, D.S, Tainer, J.A. | Deposit date: | 2017-08-24 | Release date: | 2018-08-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.789 Å) | Cite: | Structural Control of Nonnative Ligand Binding in Engineered Mutants of Phosphoenolpyruvate Carboxykinase. Biochemistry, 57, 2018
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6AT2
| E. coli phosphoenolpyruvate carboxykinase G209N mutant bound to thiosulfate | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Tang, H.Y.H, Shin, D.S, Tainer, J.A. | Deposit date: | 2017-08-27 | Release date: | 2018-08-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.444 Å) | Cite: | Structural Control of Nonnative Ligand Binding in Engineered Mutants of Phosphoenolpyruvate Carboxykinase. Biochemistry, 57, 2018
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6APO
| Anti-Marburgvirus Nucleoprotein Single Domain Antibody A | Descriptor: | Anti-Marburgvirus Nucleoprotein Single Domain Antibody A | Authors: | Taylor, A.B, Garza, J.A. | Deposit date: | 2017-08-17 | Release date: | 2017-10-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.168 Å) | Cite: | Unveiling a Drift Resistant Cryptotope withinMarburgvirusNucleoprotein Recognized by Llama Single-Domain Antibodies. Front Immunol, 8, 2017
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6AWQ
| Anomalous chloride signal reveals the position of sertraline complexed with the serotonin transporter at the central site | Descriptor: | (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 antibody FAB heavy chain, ... | Authors: | Coleman, J.A, Gouaux, E. | Deposit date: | 2017-09-06 | Release date: | 2017-10-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (4.046 Å) | Cite: | Structural basis for recognition of diverse antidepressants by the human serotonin transporter. Nat. Struct. Mol. Biol., 25, 2018
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6ASC
| Mre11 dimer in complex with Endonuclease inhibitor PFM04 | Descriptor: | (5E)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 1,2-ETHANEDIOL, MANGANESE (II) ION, ... | Authors: | Moiani, D, Arvai, A.S, Tainer, J.A. | Deposit date: | 2017-08-24 | Release date: | 2018-03-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Targeting Allostery with Avatars to Design Inhibitors Assessed by Cell Activity: Dissecting MRE11 Endo- and Exonuclease Activities. Meth. Enzymol., 601, 2018
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6AT8
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6APQ
| Anti-Marburgvirus Nucleoprotein Single Domain Antibody B | Descriptor: | Anti-Marburgvirus Nucleoprotein Single Domain Antibody B, CHLORIDE ION, SODIUM ION | Authors: | Taylor, A.B, Garza, J.A. | Deposit date: | 2017-08-17 | Release date: | 2017-10-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Unveiling a Drift Resistant Cryptotope withinMarburgvirusNucleoprotein Recognized by Llama Single-Domain Antibodies. Front Immunol, 8, 2017
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6AX7
| The crystal structure of a lysyl hydroxylase from Acanthamoeba polyphaga mimivirus | Descriptor: | FE (II) ION, Procollagen lysyl hydroxylase and glycosyltransferase | Authors: | Guo, H, Tsai, C, Miller, M.D, Alvarado, S, Tainer, J.A, Phillips Jr, G.N, Kurie, J.M. | Deposit date: | 2017-09-06 | Release date: | 2018-02-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Pro-metastatic collagen lysyl hydroxylase dimer assemblies stabilized by Fe2+-binding. Nat Commun, 9, 2018
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