2WC7
 
 | | Crystal structure of Nostoc Punctiforme Debranching Enzyme(NPDE)(Acarbose soaked) | | Descriptor: | ALPHA AMYLASE, CATALYTIC REGION | | Authors: | Dumbrepatil, A.-B, Song, H.-N, Choi, J.-H, Park, K.-H, Woo, E.-J. | | Deposit date: | 2009-03-10 | | Release date: | 2009-09-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Structural Features of the Nostoc Punctiforme Debranching Enzyme Reveal the Basis of its Mechanism and Substrate Specificity.
Proteins, 78, 2010
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5X61
 | | Crystal structure of Acetylcholinesterase Catalytic Subunit of the Malaria Vector Anopheles Gambiae, 3.4 A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AMMONIUM ION, ... | | Authors: | Han, Q, Robinson, H, Ding, H, Wong, D.M, Lam, P.C.H, Totrov, M.M, Carlier, P.R, Li, J. | | Deposit date: | 2017-02-20 | | Release date: | 2017-03-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Crystal structure of acetylcholinesterase catalytic subunits of the malaria vector Anopheles gambiae
Insect Sci., 2017
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5FHF
 | | Crystal structure of Bacteroides sp Pif1 in complex with ADP-AlF4 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, TETRAFLUOROALUMINATE ION, Uncharacterized protein | | Authors: | Zhou, X, Ren, W, Bharath, S.R, Song, H. | | Deposit date: | 2015-12-22 | | Release date: | 2016-03-30 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural and Functional Insights into the Unwinding Mechanism of Bacteroides sp Pif1
Cell Rep, 14, 2016
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5FHE
 | | Crystal structure of Bacteroides Pif1 bound to ssDNA | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), MAGNESIUM ION, ... | | Authors: | Zhou, X, Ren, W, Bharath, S.R, Song, H. | | Deposit date: | 2015-12-22 | | Release date: | 2016-03-30 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural and Functional Insights into the Unwinding Mechanism of Bacteroides sp Pif1
Cell Rep, 14, 2016
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5FHG
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5U7G
 | | Crystal Structure of the Catalytic Core of CBP | | Descriptor: | CREB-binding protein, ZINC ION | | Authors: | Park, S, Stanfield, R.L, Martinez-Yamout, M.M, Dyson, H.J, Wilson, I.A, Wright, P.E. | | Deposit date: | 2016-12-12 | | Release date: | 2017-06-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.401 Å) | | Cite: | Role of the CBP catalytic core in intramolecular SUMOylation and control of histone H3 acetylation.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5FHH
 | | Structure of human Pif1 helicase domain residues 200-641 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase PIF1, TETRAFLUOROALUMINATE ION | | Authors: | Zhou, X, Ren, W, Bharath, S.R, Song, H. | | Deposit date: | 2015-12-22 | | Release date: | 2016-03-30 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Structural and Functional Insights into the Unwinding Mechanism of Bacteroides sp Pif1
Cell Rep, 14, 2016
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5YDJ
 | | Crystal structure of anopheles gambiae acetylcholinesterase in complex with PMSF | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | | Authors: | Han, Q, Guan, H, Ding, H, Liao, C, Robinson, H, Li, J. | | Deposit date: | 2017-09-13 | | Release date: | 2018-03-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.04 Å) | | Cite: | Crystal structures of acetylcholinesterase of the malaria vector Anopheles gambiae reveal a polymerization interface, ligand binding residues and post translational modifications
To Be Published
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7NTI
 | | Structure of TAK1 in complex with compound 22 | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Mitogen-activated protein kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, ... | | Authors: | Veerman, J.J.N, Bruseker, Y.B, Damen, E, Heijne, E.H, van Bruggen, W, Hekking, K.F.W, Winkel, R, Hupp, C.D, Keefe, A.D, Liu, J, Thomson, H.A, Zhang, Y, Cuozzo, J.W, McRiner, A.J, Mulvihill, M.J, van Rijnsbergen, P, Zech, B, Renzetti, L.M, Babiss, L, Mueller, G. | | Deposit date: | 2021-03-09 | | Release date: | 2021-04-07 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Discovery of 2,4-1 H -Imidazole Carboxamides as Potent and Selective TAK1 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
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5YAG
 | | Crystal structure of mosquito arylalkylamine N-Acetyltransferase like 5b/spermine N-Acetyltransferase | | Descriptor: | AAEL004827-PA, GLYCEROL | | Authors: | Han, Q, Guan, H, Robinson, H, Li, J. | | Deposit date: | 2017-08-31 | | Release date: | 2018-02-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Identification of aaNAT5b as a spermine N-acetyltransferase in the mosquito, Aedes aegypti.
PLoS ONE, 13, 2018
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5H3U
 | | Sm RNA bound to GEMIN5-WD | | Descriptor: | GLYCEROL, Gem-associated protein 5, RNA (5'-R(*AP*AP*UP*UP*UP*UP*UP*GP*AP*C)-3') | | Authors: | Bharath, S.R, Tang, X, Song, H. | | Deposit date: | 2016-10-27 | | Release date: | 2016-12-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.499 Å) | | Cite: | Structural basis for specific recognition of pre-snRNA by Gemin5
Cell Res., 26, 2016
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2X1I
 | | glycoside hydrolase family 77 4-alpha-glucanotransferase from thermus brockianus | | Descriptor: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 4-ALPHA-GLUCANOTRANSFERASE, PHOSPHATE ION, ... | | Authors: | Yoon, S.-M, Jung, J.-H, Jung, T.-Y, Song, H.-N, Park, C.-S, Woo, E.-J. | | Deposit date: | 2009-12-28 | | Release date: | 2010-10-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Structural and Functional Analysis of Substrate Recognition by the 250S Loop in Amylomaltase from Thermus Brockianus.
Proteins, 79, 2011
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5H3S
 | | apo form of GEMIN5-WD | | Descriptor: | GLYCEROL, Gem-associated protein 5 | | Authors: | Bharath, S.R, Tang, X, Song, H. | | Deposit date: | 2016-10-27 | | Release date: | 2016-12-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis for specific recognition of pre-snRNA by Gemin5
Cell Res., 26, 2016
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3L4B
 | | Crystal Structure of an Octomeric Two-Subunit TrkA K+ Channel Ring Gating Assembly, TM1088A:TM1088B, from Thermotoga maritima | | Descriptor: | ADENOSINE MONOPHOSPHATE, TrkA K+ Channel protein TM1088A, TrkA K+ Channel protein TM1088B, ... | | Authors: | Deller, M.C, Johnson, H.A, Miller, M, Spraggon, G, Wilson, I.A, Lesley, S.A, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2009-12-18 | | Release date: | 2010-02-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | Crystal Structure of an Octomeric Two-Subunit TrkA K+ Channel Ring Gating Assembly, TM1088A:TM1088B, from Thermotoga maritima
To be Published
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8G69
 | | Wildtype PTP1b in complex with DES5743 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(5-ethyl-3-methyl-1H-pyrazol-1-yl)aniline, MAGNESIUM ION, ... | | Authors: | Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E. | | Deposit date: | 2023-02-14 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography.
J.Chem.Inf.Model., 63, 2023
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8G67
 | | Wildtype PTP1b in complex with DES4884 | | Descriptor: | 6-methyl-4-(piperazin-1-yl)-2-(trifluoromethyl)quinoline, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | Authors: | Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E. | | Deposit date: | 2023-02-14 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography.
J.Chem.Inf.Model., 63, 2023
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8G6A
 | | Wildtype PTP1b in complex with DES6016 | | Descriptor: | DIMETHYL SULFOXIDE, MAGNESIUM ION, TRIETHYLENE GLYCOL, ... | | Authors: | Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E. | | Deposit date: | 2023-02-14 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography.
J.Chem.Inf.Model., 63, 2023
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8G65
 | | Wildtype PTP1b in complex with DES4799 | | Descriptor: | 4-(3,5-dimethyl-1H-pyrazol-1-yl)aniline, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E. | | Deposit date: | 2023-02-14 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography.
J.Chem.Inf.Model., 63, 2023
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7MPO
 | | Bartonella henselae NrnC bound to pAp | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, NanoRNase C | | Authors: | Lormand, J.D, Sondermann, H. | | Deposit date: | 2021-05-04 | | Release date: | 2021-09-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural characterization of NrnC identifies unifying features of dinucleotidases.
Elife, 10, 2021
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7NTH
 | | Structure of TAK1 in complex with compound 54 | | Descriptor: | 2-[[5-[[2-[bis(fluoranyl)methoxy]phenyl]methyl-[(2~{R})-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-1~{H}-imidazol-2-yl]carbonyl]isoindole-5-carboxamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Veerman, J.J.N, Bruseker, Y.B, Damen, E, Heijne, E.H, van Bruggen, W, Hekking, K.F.W, Winkel, R, Hupp, C.D, Keefe, A.D, Liu, J, Thomson, H.A, Zhang, Y, Cuozzo, J.W, McRiner, A.J, Mulvihill, M.J, van Rijnsbergen, P, Zech, B, Renzetti, L.M, Babiss, L, Mueller, G. | | Deposit date: | 2021-03-09 | | Release date: | 2021-04-07 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Discovery of 2,4-1 H -Imidazole Carboxamides as Potent and Selective TAK1 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
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3R18
 | | Chicken sulfite oxidase double mutant with altered activity and substrate affinity | | Descriptor: | MOLYBDENUM ATOM, PHOSPHONIC ACIDMONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,7,8A,9,10,10A-HEXAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL)ESTER, Sulfite oxidase | | Authors: | Qiu, J.A, Wilson, H.L, Rajagopalan, K.V. | | Deposit date: | 2011-03-09 | | Release date: | 2012-02-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-based alteration of substrate specificity and catalytic activity of sulfite oxidase from sulfite oxidation to nitrate reduction.
Biochemistry, 51, 2012
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5YDI
 | | Crystal structure of acetylcholinesterase catalytic subunits of the malaria vector anopheles gambiae, new crystal packing | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, GLYCEROL, ... | | Authors: | Han, Q, Guan, H, Ding, H, Liao, C, Robinson, H, Li, J. | | Deposit date: | 2017-09-13 | | Release date: | 2018-03-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | Crystal structures of acetylcholinesterase of the malaria vector Anopheles gambiae reveal a polymerization interface, ligand binding residues and post translational modifications
To Be Published
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5YDH
 | | Crystal structure of acetylcholinesterase catalytic subunits of the malaria vector anopheles gambiae, 3.2 A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Acetylcholinesterase, ... | | Authors: | Han, Q, Guan, H, Robinson, H, Ding, H, Liao, C, Li, J. | | Deposit date: | 2017-09-13 | | Release date: | 2018-03-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.21 Å) | | Cite: | Crystal structures of acetylcholinesterase of the malaria vector Anopheles gambiae reveal a polymerization interface, ligand binding residues and post translational modifications
To Be Published
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3KTJ
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3KTH
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