7AWQ
 
 | | Structure of the thermostabilized EAAT1 cryst-E386Q mutant in complex with L-ASP, sodium ions and the allosteric inhibitor UCPH101 | | Descriptor: | 2-Amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-4H-chromene-3-carbonitrile, ASPARTIC ACID, BARIUM ION, ... | | Authors: | Canul-Tec, J.C, Legrand, P, Reyes, N. | | Deposit date: | 2020-11-08 | | Release date: | 2021-10-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.65 Å) | | Cite: | The ion-coupling mechanism of human excitatory amino acid transporters.
Embo J., 41, 2022
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4FOJ
 | | 1.55 A Crystal Structure of Xanthomonas citri FimX EAL domain in complex with c-diGMP | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), FimX | | Authors: | Farah, C.S, Guzzo, C.R. | | Deposit date: | 2012-06-20 | | Release date: | 2013-03-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure of the PilZ-FimXEAL-c-di-GMP Complex Responsible for the Regulation of Bacterial Type IV Pilus Biogenesis.
J.Mol.Biol., 425, 2013
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7AWN
 | | Structure of the thermostabilized EAAT1 cryst mutant in complex with rubidium and barium and the allosteric inhibitor UCPH101 | | Descriptor: | 2-Amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-4H-chromene-3-carbonitrile, BARIUM ION, Excitatory amino acid transporter 1,Neutral amino acid transporter B(0),Excitatory amino acid transporter 1, ... | | Authors: | Canul-Tec, J.C, Legrand, P, Reyes, N. | | Deposit date: | 2020-11-08 | | Release date: | 2021-10-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.92 Å) | | Cite: | The ion-coupling mechanism of human excitatory amino acid transporters.
Embo J., 41, 2022
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3ZWO
 | | Crystal structure of ADP ribosyl cyclase complexed with reaction intermediate | | Descriptor: | 3-(AMINOCARBONYL)-1-[(2R,3R,4S,5R)-5-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-3,4-DIHYD ROXYTETRAHYDROFURAN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]OXY}METHYL)-3,4-DIHYDROXYTETRAHYDROFURAN-2- YL]PYRIDINIUM, ADP-RIBOSYL CYCLASE, GUANOSINE DIPHOSPHATE RIBOSE | | Authors: | Kotaka, M, Graeff, R, Zhang, L.H, Lee, H.C, Hao, Q. | | Deposit date: | 2011-08-02 | | Release date: | 2011-11-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Studies of Intermediates Along the Cyclization Pathway of Aplysia Adp-Ribosyl Cyclase.
J.Mol.Biol., 415, 2012
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8D1H
 | | hBest2 Ca2+-unbound closed state | | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, Bestrophin-2, ... | | Authors: | Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y. | | Deposit date: | 2022-05-27 | | Release date: | 2022-07-13 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (1.94 Å) | | Cite: | Structures and gating mechanisms of human bestrophin anion channels.
Nat Commun, 13, 2022
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6YQB
 | | Taka-amylase in complex with alpha-glucosyl epi-cyclophellitol cyclosulfate inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase, ... | | Authors: | Armstrong, Z, Chen, Y, Artola, M, Overkleeft, H, Davies, G. | | Deposit date: | 2020-04-16 | | Release date: | 2021-02-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Activity-Based Protein Profiling of Retaining alpha-Amylases in Complex Biological Samples.
J.Am.Chem.Soc., 143, 2021
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8ITV
 | | KL2.1 in complex with CRM1-Ran-RanBP1 | | Descriptor: | (3~{S},5~{R},6~{E},8~{Z},10~{R},12~{E},14~{E},16~{S})-3,16-bis(azanyl)-8,10,12-trimethyl-16-[(2~{S},4~{R},5~{S},6~{S})-5-methyl-4-oxidanyl-6-[(~{E})-prop-1-enyl]oxan-2-yl]-5-oxidanyl-hexadeca-6,8,12,14-tetraenoic acid, ACETATE ION, CHLORIDE ION, ... | | Authors: | Sun, Q, Jian, L. | | Deposit date: | 2023-03-23 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | KL2.1 in complex with CRM1-Ran-RanBP1
To Be Published
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8Q40
 | | Crystal structure of cA4 activated Can2 in complex with a cleaved DNA substrate | | Descriptor: | Cyclic tetraadenosine monophosphate (cA4), DNA (5'-D(*TP*CP*A)-3'), DUF1887 family protein, ... | | Authors: | Jungfer, K, Sigg, A, Jinek, M. | | Deposit date: | 2023-08-04 | | Release date: | 2023-11-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Substrate selectivity and catalytic activation of the type III CRISPR ancillary nuclease Can2.
Nucleic Acids Res., 52, 2024
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8Q41
 | | Crystal structure of Can2 (E341A) bound to cA4 and TTTAAA ssDNA | | Descriptor: | Cyclic tetraadenosine monophosphate (cA4), DNA (5'-D(*TP*TP*AP*AP*A)-3'), DUF1887 family protein, ... | | Authors: | Jungfer, K, Sigg, A, Jinek, M. | | Deposit date: | 2023-08-04 | | Release date: | 2023-11-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Substrate selectivity and catalytic activation of the type III CRISPR ancillary nuclease Can2.
Nucleic Acids Res., 52, 2024
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8Q42
 | | Crystal structure of cA4-bound Can2 (E341A) in complex with oligo-A DNA | | Descriptor: | Cyclic tetraadenosine monophosphate (cA4), DNA (5'-D(*AP*AP*AP*A)-3'), DUF1887 family protein, ... | | Authors: | Jungfer, K, Sigg, A, Jinek, M. | | Deposit date: | 2023-08-04 | | Release date: | 2023-11-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Substrate selectivity and catalytic activation of the type III CRISPR ancillary nuclease Can2.
Nucleic Acids Res., 52, 2024
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8D9B
 | | Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with fluorinated inhibitor 9 | | Descriptor: | 2,3,5,6-tetrafluoro-N-hydroxybenzamide, Hdac6 protein, POTASSIUM ION, ... | | Authors: | Watson, P.R, Christianson, D.W. | | Deposit date: | 2022-06-09 | | Release date: | 2022-09-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Aromatic Ring Fluorination Patterns Modulate Inhibitory Potency of Fluorophenylhydroxamates Complexed with Histone Deacetylase 6.
Biochemistry, 61, 2022
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8Q43
 | | Crystal structure of cA4-bound Can2 (E341A) in complex with oligo-C DNA | | Descriptor: | Cyclic tetraadenosine monophosphate (cA4), DNA (5'-D(*CP*CP*CP*CP*C)-3'), DUF1887 family protein, ... | | Authors: | Jungfer, K, Sigg, A, Jinek, M. | | Deposit date: | 2023-08-04 | | Release date: | 2023-11-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Substrate selectivity and catalytic activation of the type III CRISPR ancillary nuclease Can2.
Nucleic Acids Res., 52, 2024
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8UGL
 | | High resolution in-situ structure of complex IV in respiratory supercomplex | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Zheng, W, Zhu, J, Zhang, K. | | Deposit date: | 2023-10-05 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | High-resolution in situ structures of mammalian respiratory supercomplexes.
Nature, 631, 2024
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8OSO
 | | GTPase HRAS in complex with Zn-cyclen under 500 MPa pressure | | Descriptor: | 1,4,7,10-tetraazacyclododecane, GTPase HRas, MAGNESIUM ION, ... | | Authors: | Colloc'h, N, Prange, T, Girard, E, Kalbitzer, H.R. | | Deposit date: | 2023-04-19 | | Release date: | 2024-05-08 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | High Pressure Promotes Binding of the Allosteric Inhibitor Zn 2+ -Cyclen in Crystals of Activated H-Ras.
Chemistry, 30, 2024
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4WQ8
 | | Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - tetrathionate soak | | Descriptor: | HEME C, IODIDE ION, SULFATE ION, ... | | Authors: | Brito, J.A, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M. | | Deposit date: | 2014-10-21 | | Release date: | 2015-02-18 | | Last modified: | 2018-03-07 | | Method: | X-RAY DIFFRACTION (1.3989 Å) | | Cite: | Thiosulfate Dehydrogenase (TsdA) from Allochromatium vinosum: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO THIOSULFATE OXIDATION.
J.Biol.Chem., 290, 2015
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8P1Q
 | | USP28 in complex with FT206 | | Descriptor: | 3-azanyl-N-[(2S)-6-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methyl-thieno[2,3-b]pyridine-2-carboxamide, DIMETHYL SULFOXIDE, Ubiquitin carboxyl-terminal hydrolase 28 | | Authors: | Sauer, F, Karal Nair, R, Kisker, C. | | Deposit date: | 2023-05-12 | | Release date: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | USP28 in complex with FT206
To Be Published
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3FRK
 | | X-ray structure of QdtB from T. thermosaccharolyticum in complex with a PLP:TDP-3-aminoquinovose aldimine | | Descriptor: | (2R,3R,4S,5S,6R)-3,5-dihydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate, QdtB | | Authors: | Thoden, J.B, Holden, H.M. | | Deposit date: | 2009-01-08 | | Release date: | 2009-02-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural analysis of QdtB, an aminotransferase required for the biosynthesis of dTDP-3-acetamido-3,6-dideoxy-alpha-D-glucose.
Biochemistry, 48, 2009
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4FOK
 | | 1.8 A Crystal structure of the FimX EAL domain in complex with c-diGMP | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), FimX, GLYCEROL | | Authors: | Farah, C.S, Guzzo, C.R. | | Deposit date: | 2012-06-20 | | Release date: | 2013-03-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of the PilZ-FimXEAL-c-di-GMP Complex Responsible for the Regulation of Bacterial Type IV Pilus Biogenesis.
J.Mol.Biol., 425, 2013
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6VFK
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7B1U
 | | Crystal structure of a shortened IpgC variant in complex with 3-(3,4-difluorophenyl)-1H,4H,6H,7H-imidazo[2,1-c][1,2,4]triazine | | Descriptor: | 3-[3,4-bis(fluoranyl)phenyl]-1,4,6,7-tetrahydroimidazo[2,1-c][1,2,4]triazine, CHLORIDE ION, Chaperone protein IpgC, ... | | Authors: | Gardonyi, M, Heine, A, Klebe, G. | | Deposit date: | 2020-11-25 | | Release date: | 2021-12-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Crystal structure of a shortened IpgC variant in complex with 3-(3,4-difluorophenyl)-1H,4H,6H,7H-imidazo[2,1-c][1,2,4]triazine
To be published
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8DC8
 | | Crystal structure of p53 Y220C covalently bound to azaindole KG13 | | Descriptor: | 2-methyl-1-[(4P)-3-methyl-4-(2-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-1H-pyrrolo[2,3-c]pyridin-1-yl]prop-2-en-1-one, bound form, Cellular tumor antigen p53, ... | | Authors: | Guiley, K.Z, Shokat, K.M. | | Deposit date: | 2022-06-15 | | Release date: | 2022-10-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7200973 Å) | | Cite: | A Small Molecule Reacts with the p53 Somatic Mutant Y220C to Rescue Wild-type Thermal Stability.
Cancer Discov, 13, 2023
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8D6T
 | | Rana catesbeiana saxiphilin mutant - Y558I:STX (co-crystal) | | Descriptor: | CACODYLATE ION, Saxiphilin, [(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate | | Authors: | Chen, Z, Zakrzewska, S, Minor, D.L. | | Deposit date: | 2022-06-06 | | Release date: | 2022-11-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Definition of a saxitoxin (STX) binding code enables discovery and characterization of the anuran saxiphilin family.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7T1D
 | | Human SIRT2 in complex with small molecule 359 | | Descriptor: | 1,2-ETHANEDIOL, 7-(2,4-dimethyl-1H-imidazol-1-yl)-2-(5-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline, DIMETHYL SULFOXIDE, ... | | Authors: | Kulp, J.L, Remiszewski, S, Todd, M, Chiang, L.W. | | Deposit date: | 2021-12-01 | | Release date: | 2023-05-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | An allosteric inhibitor of sirtuin 2 deacetylase activity exhibits broad-spectrum antiviral activity.
J.Clin.Invest., 133, 2023
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8D6O
 | | Nanorana parkeri saxiphilin:F-STX (soaked) | | Descriptor: | (2P)-4-({6-[({[(3aS,4R,7R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methoxy}carbonyl)amino]hexyl}carbamoyl)-2-{[4aP,9(9a)P]-6-hydroxy-3-oxo-3H-xanthen-9-yl}benzoic acid, PENTAETHYLENE GLYCOL, Saxiphilin | | Authors: | Zakrzewska, S, Chen, Z, Minor, D.L. | | Deposit date: | 2022-06-06 | | Release date: | 2022-11-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Definition of a saxitoxin (STX) binding code enables discovery and characterization of the anuran saxiphilin family.
Proc.Natl.Acad.Sci.USA, 119, 2022
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3G34
 | | CTX-M-9 class A beta-lactamase complexed with compound 11 (1CE) | | Descriptor: | 3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE, ... | | Authors: | Chen, Y, Shoichet, B.K. | | Deposit date: | 2009-02-01 | | Release date: | 2009-03-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
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