7Z14
 
 | | Cryo-EM structure of Torpedo nicotinic acetylcholine receptor in complex with a short-chain neurotoxin. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine receptor subunit alpha, ... | | Authors: | Nys, M.A.E.M, Zarkadas, E, Ulens, C, Nury, H. | | Deposit date: | 2022-02-24 | | Release date: | 2022-08-17 | | Last modified: | 2022-08-24 | | Method: | ELECTRON MICROSCOPY (3.15 Å) | | Cite: | The molecular mechanism of snake short-chain alpha-neurotoxin binding to muscle-type nicotinic acetylcholine receptors.
Nat Commun, 13, 2022
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1AUC
 | | HUMAN THIOREDOXIN (OXIDIZED WITH DIAMIDE) | | Descriptor: | THIOREDOXIN | | Authors: | Anderson, J.F, Sanders, D.A.R, Gasdaska, J, Weichsel, A, Powis, G, Montfort, W.R. | | Deposit date: | 1997-08-22 | | Release date: | 1998-02-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Human thioredoxin homodimers: regulation by pH, role of aspartate 60, and crystal structure of the aspartate 60 --> asparagine mutant.
Biochemistry, 36, 1997
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6COM
 | | 2.3A crystal structure of E. coli phosphoenolpyruvate carboxykinase mutant Asp269Asn | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, MAGNESIUM ION, ... | | Authors: | Sokaribo, A.S, Cotelesage, J.H, Novakovski, B, Goldie, H, Sanders, D. | | Deposit date: | 2018-03-12 | | Release date: | 2018-04-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Kinetic and structural analysis of Escherichia coli phosphoenolpyruvate carboxykinase mutants.
Biochim Biophys Acta Gen Subj, 1864, 2020
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6CPG
 | | Structure of dephosphorylated Aurora A (122-403) in complex with inhibiting monobody and AT9283 in an inactive conformation | | Descriptor: | 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea, Aurora kinase A, Monobody | | Authors: | Otten, R, Kutter, S, Zorba, A, Padua, R.A.P, Koide, A, Koide, S, Kern, D. | | Deposit date: | 2018-03-13 | | Release date: | 2018-06-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Dynamics of human protein kinase Aurora A linked to drug selectivity.
Elife, 7, 2018
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6ES0
 | | Crystal structure of the kinase domain of human RIPK2 in complex with the activation loop targeting inhibitor CS-R35 | | Descriptor: | 2-[2-fluoranyl-4-[[2-fluoranyl-4-[2-(methylcarbamoyl)pyridin-4-yl]oxy-phenyl]carbamoylamino]phenyl]sulfanylethanoic acid, Receptor-interacting serine/threonine-protein kinase 2 | | Authors: | Pinkas, D.M, Bufton, J.C, Suebsuwong, C, Ray, S.S, Dai, B, Newman, J.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Degterev, A, Cuny, G.D, Bullock, A.N. | | Deposit date: | 2017-10-19 | | Release date: | 2018-02-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Activation loop targeting strategy for design of receptor-interacting protein kinase 2 (RIPK2) inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
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1AZY
 | | STRUCTURAL AND THEORETICAL STUDIES SUGGEST DOMAIN MOVEMENT PRODUCES AN ACTIVE CONFORMATION OF THYMIDINE PHOSPHORYLASE | | Descriptor: | THYMIDINE PHOSPHORYLASE | | Authors: | Pugmire, M.J, Cook, W.J, Jasanoff, A, Walter, M.R, Ealick, S.E. | | Deposit date: | 1997-11-24 | | Release date: | 1999-01-13 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural and theoretical studies suggest domain movement produces an active conformation of thymidine phosphorylase.
J.Mol.Biol., 281, 1998
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4WY3
 | | Structure of SARS-3CL protease complex with a phenylbenzoyl (R,S)-N-decalin type inhibitor | | Descriptor: | (2S)-2-({[(3R,4aS,8aR)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal, 3C-like proteinase | | Authors: | Akaji, K, Teruya, K, Shimamoto, Y, Sanjho, A, Yamashita, E, Nakagawa, A. | | Deposit date: | 2014-11-15 | | Release date: | 2015-02-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Fused-ring structure of decahydroisoquinolin as a novel scaffold for SARS 3CL protease inhibitors.
Bioorg.Med.Chem., 23, 2015
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1B3Y
 | | XYLANASE FROM PENICILLIUM SIMPLICISSIMUM, COMPLEX WITH XYLOTETRAOSE | | Descriptor: | PROTEIN (XYLANASE), alpha-D-xylopyranose, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | | Authors: | Schmidt, A, Kratky, C. | | Deposit date: | 1998-12-15 | | Release date: | 1999-04-06 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Xylan binding subsite mapping in the xylanase from Penicillium simplicissimum using xylooligosaccharides as cryo-protectant.
Biochemistry, 38, 1999
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6GDH
 | | Holliday Junctions formed from Telomeric DNA | | Descriptor: | DNA (5'-D(*CP*TP*AP*AP*CP*CP*CP*TP*AP*A)-3'), DNA (5'-D(*TP*TP*AP*GP*GP*GP*TP*TP*AP*G)-3') | | Authors: | Parkinson, G.N, Haider, S, Li, P, Khiali, S, Munnur, D, Ramanathan, A. | | Deposit date: | 2018-04-23 | | Release date: | 2018-11-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Holliday Junctions Formed from Human Telomeric DNA.
J. Am. Chem. Soc., 140, 2018
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1B4Y
 | | STRUCTURE AND MECHANISM OF FORMATION OF THE H-Y5 ISOMER OF AN INTRAMOLECULAR DNA TRIPLE HELIX. | | Descriptor: | DNA (H-Y5 TRIPLE HELIX) | | Authors: | Van Dongen, M.J.P, Doreleijers, J.F, Van Der Marel, G.A, Van Boom, J.H, Hilbers, C.W, Wijmenga, S.S. | | Deposit date: | 1998-12-30 | | Release date: | 1999-09-13 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Structure and mechanism of formation of the H-y5 isomer of an intramolecular DNA triple helix.
Nat.Struct.Biol., 6, 1999
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4Z71
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6CQ2
 | | Crystal structure of Mycobacterium tuberculosis Topoisomerase I in complex with oligonucleotide MTS2-12 and Magnesium | | Descriptor: | DNA (5'-D(P*TP*TP*CP*CP*GP*CP*TP*TP*GP*A)-3'), DNA topoisomerase 1, MAGNESIUM ION, ... | | Authors: | Cao, N, Thirunavukkaraus, A, Tan, K, Tse-Dinh, Y.-C. | | Deposit date: | 2018-03-14 | | Release date: | 2018-05-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.004 Å) | | Cite: | Investigating mycobacterial topoisomerase I mechanism from the analysis of metal and DNA substrate interactions at the active site.
Nucleic Acids Res., 46, 2018
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6TIP
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7YXC
 | | Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment | | Descriptor: | Ancestral Glucocorticoid Receptor2, CARBONATE ION, DEXAMETHASONE, ... | | Authors: | Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. | | Deposit date: | 2022-02-15 | | Release date: | 2022-12-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities.
Nucleic Acids Res., 50, 2022
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6GCJ
 | | Solution structure of the RodA hydrophobin from Aspergillus fumigatus | | Descriptor: | Hydrophobin | | Authors: | Pille, A, Kwan, A, Aimanianda, V, Latge, J.-P, Sunde, M, Guijarro, J.I. | | Deposit date: | 2018-04-18 | | Release date: | 2019-03-27 | | Last modified: | 2019-09-04 | | Method: | SOLUTION NMR | | Cite: | Assembly and disassembly of Aspergillus fumigatus conidial rodlets
Cell Surf, 2019
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1B3Q
 | | CRYSTAL STRUCTURE OF CHEA-289, A SIGNAL TRANSDUCING HISTIDINE KINASE | | Descriptor: | MERCURY (II) ION, PROTEIN (CHEMOTAXIS PROTEIN CHEA) | | Authors: | Bilwes, A.M, Alex, L.A, Crane, B.R, Simon, M.I. | | Deposit date: | 1998-12-14 | | Release date: | 1999-12-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of CheA, a signal-transducing histidine kinase.
Cell(Cambridge,Mass.), 96, 1999
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7YXD
 | | Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment | | Descriptor: | Ancestral Glucocorticoid Receptor2, DEXAMETHASONE, SHP NR Box 1 Peptide, ... | | Authors: | Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. | | Deposit date: | 2022-02-15 | | Release date: | 2022-12-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities.
Nucleic Acids Res., 50, 2022
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5LCT
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4ZEE
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6B7K
 | | GH43 Endo-Arabinanase from Bacillus licheniformis | | Descriptor: | CALCIUM ION, Endo-alpha-(1->5)-L-arabinanase | | Authors: | Farro, E.G.S, Nascimento, A.S. | | Deposit date: | 2017-10-04 | | Release date: | 2018-06-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | GH43 endo-arabinanase from Bacillus licheniformis: Structure, activity and unexpected synergistic effect on cellulose enzymatic hydrolysis.
Int. J. Biol. Macromol., 117, 2018
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7KRE
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 4-((6-cyanonaphthalen-1-yl)oxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ704) | | Descriptor: | 4-[(6-cyanonaphthalen-1-yl)oxy]-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ... | | Authors: | Bertoletti, N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2020-11-19 | | Release date: | 2021-01-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.728 Å) | | Cite: | Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead.
Acs Med.Chem.Lett., 12, 2021
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6TAB
 | | Bd0314 DslA wild-type form 2 | | Descriptor: | SLT domain-containing protein, SULFATE ION | | Authors: | Lovering, A.L, Harding, C.J. | | Deposit date: | 2019-10-29 | | Release date: | 2020-07-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | A lysozyme with altered substrate specificity facilitates prey cell exit by the periplasmic predator Bdellovibrio bacteriovorus.
Nat Commun, 11, 2020
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6TLQ
 | | ROR(gamma)t ligand binding domain in complex with cholesterol and allosteric ligand Glenmark | | Descriptor: | 4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid, CHOLESTEROL, GLYCEROL, ... | | Authors: | de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. | | Deposit date: | 2019-12-03 | | Release date: | 2020-12-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.761 Å) | | Cite: | Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t.
Proc.Natl.Acad.Sci.USA, 118, 2021
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5LCU
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4YYF
 | | The crystal structure of a glycosyl hydrolase of GH3 family member from [Mycobacterium smegmatis str. MC2 155 | | Descriptor: | ACETATE ION, Beta-N-acetylhexosaminidase, FORMIC ACID, ... | | Authors: | Tan, K, Hatzos-Skintges, C, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2015-03-23 | | Release date: | 2015-04-08 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | The crystal structure of a glycosyl hydrolase of GH3 family member from [Mycobacterium smegmatis str. MC2 155
To Be Published
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