5K9W
 
 | | Protein Tyrosine Phosphatase 1B (1-301) in complex with TCS401, closed state | | Descriptor: | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Choy, M.S, Peti, W, Page, R. | | Deposit date: | 2016-06-01 | | Release date: | 2017-03-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
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5JVZ
 | | Crystal structure of flurbiprofen bound to S121P murine COX-2 mutant | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Malkowski, M.G, Orlando, B.J. | | Deposit date: | 2016-05-11 | | Release date: | 2016-10-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Fatty Acid Binding to the Allosteric Subunit of Cyclooxygenase-2 Relieves a Tonic Inhibition of the Catalytic Subunit.
J.Biol.Chem., 291, 2016
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5JYG
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5K9V
 | | Protein Tyrosine Phosphatase 1B (1-301), open state | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Choy, M.S, Peti, W, Page, R. | | Deposit date: | 2016-06-01 | | Release date: | 2017-03-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.898 Å) | | Cite: | Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
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5KBS
 | | Cryo-EM structure of GluA2-0xSTZ at 8.7 Angstrom resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor 2,Voltage-dependent calcium channel gamma-2 subunit, {[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid | | Authors: | Twomey, E.C, Yelshanskaya, M.V, Grassucci, R.A, Frank, J, Sobolevsky, A.I. | | Deposit date: | 2016-06-03 | | Release date: | 2016-07-13 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (8.7 Å) | | Cite: | Elucidation of AMPA receptor-stargazin complexes by cryo-electron microscopy.
Science, 353, 2016
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5K4Z
 | | M. thermoresistible IMPDH in complex with IMP and Compound 6 | | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, ~{N}-(4-fluorophenyl)-4-(2~{H}-indazol-6-ylsulfamoyl)-3,5-dimethyl-1~{H}-pyrrole-2-carboxamide | | Authors: | Pacitto, A, Ascher, D.B, Blundell, T.L. | | Deposit date: | 2016-05-22 | | Release date: | 2016-10-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Essential but Not Vulnerable: Indazole Sulfonamides Targeting Inosine Monophosphate Dehydrogenase as Potential Leads against Mycobacterium tuberculosis.
ACS Infect Dis, 3, 2017
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5KE1
 | | Structure of a C-terminal fragment of the IcsA/VirG passenger-domain | | Descriptor: | NICKEL (II) ION, Outer membrane protein IcsA autotransporter | | Authors: | Leupold, S, Scrima, A. | | Deposit date: | 2016-06-09 | | Release date: | 2017-03-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural insights into the architecture of the Shigella flexneri virulence factor IcsA/VirG and motifs involved in polar distribution and secretion.
J. Struct. Biol., 198, 2017
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5K70
 | | Sidekick-2 immunoglobulin domains 1-4 H18R/N22S mutant | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, ... | | Authors: | Goodman, K.M, Mannepalli, S, Honig, B, Shapiro, L. | | Deposit date: | 2016-05-25 | | Release date: | 2016-09-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Molecular basis of sidekick-mediated cell-cell adhesion and specificity.
Elife, 5, 2016
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5JQB
 | | Crystal structure of Ebola glycoprotein in complex with ibuprofen | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein 1,Envelope glycoprotein 1,Envelope glycoprotein 1, Envelope glycoprotein 2, ... | | Authors: | Zhao, Y, Ren, J, Stuart, D.I. | | Deposit date: | 2016-05-04 | | Release date: | 2016-06-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Toremifene interacts with and destabilizes the Ebola virus glycoprotein.
Nature, 535, 2016
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5JPV
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5JUD
 | | Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with uridine-diphosphate (UDP) - GpgS*UDP | | Descriptor: | Glucosyl-3-phosphoglycerate synthase, URIDINE-5'-DIPHOSPHATE | | Authors: | Albesa-Jove, D, Sancho-Vaello, E, Rodrigo-Unzueta, A, Comino, N, Carreras-Gonzalez, A, Arrasate, P, Urresti, S, Guerin, M.E. | | Deposit date: | 2016-05-10 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Structural Snapshots and Loop Dynamics along the Catalytic Cycle of Glycosyltransferase GpgS.
Structure, 25, 2017
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5JVI
 | | Thermolysin in complex with JC148. | | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Krimmer, S.G, Cramer, J, Heine, A, Klebe, G. | | Deposit date: | 2016-05-11 | | Release date: | 2016-12-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Rational Design of Thermodynamic and Kinetic Binding Profiles by Optimizing Surface Water Networks Coating Protein-Bound Ligands.
J. Med. Chem., 59, 2016
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5JVL
 | | C4-type pyruvate phospate dikinase: nucleotide binding domain with bound ATP analogue | | Descriptor: | 2'-Bromo-2'-deoxyadenosine 5'-[beta,gamma-imide]triphosphoric acid, MAGNESIUM ION, PHOSPHOENOLPYRUVATE, ... | | Authors: | Minges, A, Hoeppner, A, Groth, G. | | Deposit date: | 2016-05-11 | | Release date: | 2017-04-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural intermediates and directionality of the swiveling motion of Pyruvate Phosphate Dikinase.
Sci Rep, 7, 2017
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5JXJ
 | | Structure of the proprotein convertase furin complexed to meta-guanidinomethyl-Phac-RVR-Amba in presence of EDTA | | Descriptor: | 2UC-ARG-VAL-ARG-00S, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Dahms, S.O, Arciniega, M, Steinmetzer, T, Huber, R, Than, M.E. | | Deposit date: | 2016-05-13 | | Release date: | 2016-10-05 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the unliganded form of the proprotein convertase furin suggests activation by a substrate-induced mechanism.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5K2X
 | | Crystal structure of M. tuberculosis UspC (tetragonal crystal form) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, IODIDE ION, ... | | Authors: | Futterer, K, Fullam, E, Besra, G.S. | | Deposit date: | 2016-05-19 | | Release date: | 2016-06-01 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural and functional analysis of the solute-binding protein UspC from Mycobacterium tuberculosis that is specific for amino sugars.
Open Biology, 6, 2016
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5K4H
 | | Wolinella succinogenes L-asparaginase S121 + L-Glutamic acid | | Descriptor: | GLUTAMIC ACID, L-asparaginase | | Authors: | Nguyen, H.A, Lave, A. | | Deposit date: | 2016-05-20 | | Release date: | 2017-03-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The differential ability of asparagine and glutamine in promoting the closed/active enzyme conformation rationalizes the Wolinella succinogenes L-asparaginase substrate specificity.
Sci Rep, 7, 2017
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5KBU
 | | Cryo-EM structure of GluA2-2xSTZ complex at 7.8 Angstrom resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor 2,Voltage-dependent calcium channel gamma-2 subunit, {[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid | | Authors: | Twomey, E.C, Yelshanskaya, M.V, Grassucci, R.A, Frank, J, Sobolevsky, A.I. | | Deposit date: | 2016-06-03 | | Release date: | 2016-07-13 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (7.8 Å) | | Cite: | Elucidation of AMPA receptor-stargazin complexes by cryo-electron microscopy.
Science, 353, 2016
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5JOV
 | | Bacteroides ovatus Xyloglucan PUL GH31 with bound 5FIdoF | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-fluoro-alpha-L-idopyranose, ... | | Authors: | Thompson, A.J, Hemsworth, G.R, Stepper, J, Sobala, L.F, Coyle, T, Larsbrink, J, Spadiut, O, Stubbs, K.A, Brumer, H, Davies, G.J. | | Deposit date: | 2016-05-03 | | Release date: | 2016-08-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural dissection of a complex Bacteroides ovatus gene locus conferring xyloglucan metabolism in the human gut.
Open Biology, 6, 2016
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5JQX
 | | Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with phosphoglyceric acid (PGA) - GpgS*PGA | | Descriptor: | 3-PHOSPHOGLYCERIC ACID, Glucosyl-3-phosphoglycerate synthase | | Authors: | Albesa-Jove, D, Sancho-Vaello, E, Rodrigo-Unzueta, A, Comino, N, Carreras-Gonzalez, A, Arrasate, P, Urresti, S, Guerin, M.E. | | Deposit date: | 2016-05-05 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Structural Snapshots and Loop Dynamics along the Catalytic Cycle of Glycosyltransferase GpgS.
Structure, 25, 2017
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5JRJ
 | | Crystal Structure of Herbaspirillum seropedicae RecA | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ... | | Authors: | Leite, W.C, Galvao, C.W, Saab, S.C, Iulek, J, Etto, R.M, Steffens, M.B.R, Chitteni-Pattu, S, Stanage, T, Keck, J.L, Cox, M.M. | | Deposit date: | 2016-05-06 | | Release date: | 2016-08-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and Functional Studies of H. seropedicae RecA Protein - Insights into the Polymerization of RecA Protein as Nucleoprotein Filament.
PLoS ONE, 11, 2016
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5JSC
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5JW1
 | | Crystal structure of Celecoxib bound to S121P murine COX-2 mutant | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, ... | | Authors: | Malkowski, M.G, Orlando, B.J. | | Deposit date: | 2016-05-11 | | Release date: | 2016-10-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.822 Å) | | Cite: | Fatty Acid Binding to the Allosteric Subunit of Cyclooxygenase-2 Relieves a Tonic Inhibition of the Catalytic Subunit.
J.Biol.Chem., 291, 2016
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5JXI
 | | Structure of the unliganded form of the proprotein convertase furin in presence of EDTA. | | Descriptor: | CALCIUM ION, CHLORIDE ION, Furin, ... | | Authors: | Dahms, S.O, Arciniega, M, Steinmetzer, T, Huber, R, Than, M.E. | | Deposit date: | 2016-05-13 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the unliganded form of the proprotein convertase furin suggests activation by a substrate-induced mechanism.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5JUC
 | | Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mn2+, uridine-diphosphate (UDP) and glucosyl-3-phosphoglycerate (GPG) - GpgS*GPG*UDP*Mn2+_2 | | Descriptor: | (2R)-2-(alpha-D-glucopyranosyloxy)-3-(phosphonooxy)propanoic acid, 1,2-ETHANEDIOL, Glucosyl-3-phosphoglycerate synthase, ... | | Authors: | Albesa-Jove, D, Sancho-Vaello, E, Rodrigo-Unzueta, A, Comino, N, Carreras-Gonzalez, A, Arrasate, P, Urresti, S, Guerin, M.E. | | Deposit date: | 2016-05-10 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Snapshots and Loop Dynamics along the Catalytic Cycle of Glycosyltransferase GpgS.
Structure, 25, 2017
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5JZW
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