6H14
 
 | | Crystal structure of TcACHE complexed to 1-(6-oxo-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindol-10-yl)-3-(4-(1-(2-((1,2,3,4-tetrahydroacridin-9-yl)amino)ethyl)-1H-1,2,3-triazol-4-yl)pyridin-2-yl)urea | | Descriptor: | 1,2-ETHANEDIOL, 1-[(10~{b}~{S})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]-3-[4-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pyridin-2-yl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Coquelle, N, Colletier, J.P. | | Deposit date: | 2018-07-10 | | Release date: | 2019-05-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Design, biological evaluation and X-ray crystallography of nanomolar multifunctional ligands targeting simultaneously acetylcholinesterase and glycogen synthase kinase-3.
Eur.J.Med.Chem., 168, 2019
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6H13
 | | Crystal structure of TcACHE complexed to1-(4-((Methyl((1-(2-((1,2,3,4-tetrahydroacridin-9-yl)amino)ethyl)-1H-1,2,3-triazol-4-yl)methyl)amino)methyl)pyridin-2-yl)-3-(6-oxo-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindol-10-yl)urea | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | | Authors: | Coquelle, N, Colletier, J.P. | | Deposit date: | 2018-07-10 | | Release date: | 2019-05-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Design, biological evaluation and X-ray crystallography of nanomolar multifunctional ligands targeting simultaneously acetylcholinesterase and glycogen synthase kinase-3.
Eur.J.Med.Chem., 168, 2019
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6H12
 | | Crystal structure of TcACHE complexed to 1-(6-Oxo-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindol-10-yl)-3-(4-(((1-(2-((1,2,3,4-tetrahydroacridin-9-yl)amino)ethyl)-1H-1,2,3-triazol-4-yl)methoxy)methyl)pyridin-2-yl)urea | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[[1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methoxymethyl]pyridin-2-yl]-3-[(10~{b}~{R})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Coquelle, N, Colletier, J.P. | | Deposit date: | 2018-07-10 | | Release date: | 2019-05-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Design, biological evaluation and X-ray crystallography of nanomolar multifunctional ligands targeting simultaneously acetylcholinesterase and glycogen synthase kinase-3.
Eur.J.Med.Chem., 168, 2019
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1CEC
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1XYZ
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2MCR
 | | Solution structure of ShK-like immunomodulatory peptide from Brugia malayi (filarial worm) | | Descriptor: | Probable zinc metalloproteinase, putative | | Authors: | Chhabra, S, Swarbrick, J.D, Pennington, M.W, Chang, S.C, Norton, R.S. | | Deposit date: | 2013-08-22 | | Release date: | 2014-07-02 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Kv1.3 channel-blocking immunomodulatory peptides from parasitic worms: implications for autoimmune diseases.
Faseb J., 28, 2014
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2MD0
 | | Solution structure of ShK-like immunomodulatory peptide from Ancylostoma caninum (hookworm) | | Descriptor: | AcK1 | | Authors: | Chhabra, S, Swarbrick, J.D, Mohanty, B, Chang, S.C, Chandy, G.K, Pennington, M.W, Norton, R.S. | | Deposit date: | 2013-08-28 | | Release date: | 2014-07-02 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Kv1.3 channel-blocking immunomodulatory peptides from parasitic worms: implications for autoimmune diseases.
Faseb J., 28, 2014
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2K9E
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5WCV
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5E0N
 | | Crystal Structure of MSMEG_3139, a monofunctional enoyl CoA isomerase from M.smegmatis | | Descriptor: | Enoyl-CoA hydratase/isomerase | | Authors: | Priyadarshan, K, Haque, A.S, Anandakrishnan, M, Sankaranarayanan, R. | | Deposit date: | 2015-09-29 | | Release date: | 2016-02-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.061 Å) | | Cite: | Unsaturated Lipid Assimilation by Mycobacteria Requires Auxiliary cis-trans Enoyl CoA Isomerase.
Chem.Biol., 22, 2015
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6ATZ
 | | HLA-DRB1*1402 in complex with citrullinated fibrinogen peptide | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Fibrinogen beta chain, ... | | Authors: | Ting, Y.T, Scally, S.W, Rossjohn, J. | | Deposit date: | 2017-08-29 | | Release date: | 2017-09-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Molecular basis for increased susceptibility of Indigenous North Americans to seropositive rheumatoid arthritis.
Ann. Rheum. Dis., 76, 2017
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6ATI
 | | HLA-DRB1*1402 in complex with Vimentin-64Cit59-71 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DR alpha chain, ... | | Authors: | Scally, S.W, Ting, Y.T, Rossjohn, J. | | Deposit date: | 2017-08-29 | | Release date: | 2017-09-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Molecular basis for increased susceptibility of Indigenous North Americans to seropositive rheumatoid arthritis.
Ann. Rheum. Dis., 76, 2017
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5H3L
 | | Structure of methylglyoxal synthase crystallised as a contaminant | | Descriptor: | FORMIC ACID, Methylglyoxal synthase | | Authors: | Hatti, K, Dadireddy, V, Srinivasan, N, Ramakumar, S, Murthy, M.R.N. | | Deposit date: | 2016-10-25 | | Release date: | 2016-11-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure determination of contaminant proteins using the MarathonMR procedure.
J. Struct. Biol., 197, 2017
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6CO2
 | | Structure of an engineered protein (NUDT16TI) in complex with 53BP1 Tudor domains | | Descriptor: | NUDT16-Tudor-interacting (NUDT16TI), TP53-binding protein 1 | | Authors: | Botuyan, M.V, Thompson, J.R, Cui, G, Mer, G. | | Deposit date: | 2018-03-10 | | Release date: | 2018-06-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Mechanism of 53BP1 activity regulation by RNA-binding TIRR and a designer protein.
Nat. Struct. Mol. Biol., 25, 2018
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6CO1
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6D0L
 | | Structure of human TIRR | | Descriptor: | Tudor-interacting repair regulator protein | | Authors: | Cui, G, Botuyan, M.V, Mer, G. | | Deposit date: | 2018-04-10 | | Release date: | 2018-06-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Mechanism of 53BP1 activity regulation by RNA-binding TIRR and a designer protein.
Nat. Struct. Mol. Biol., 25, 2018
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6ATF
 | | HLA-DRB1*1402 in complex with Vimentin59-71 | | 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: | Scally, S.W, Ting, Y.T, Rossjohn, J. | | Deposit date: | 2017-08-29 | | Release date: | 2017-09-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Molecular basis for increased susceptibility of Indigenous North Americans to seropositive rheumatoid arthritis.
Ann. Rheum. Dis., 76, 2017
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8G2E
 | | PKM2 bound to compound 2 | | Descriptor: | 1,2-ETHANEDIOL, 3-[(3-aminophenyl)methyl]-5-methyl-7-[methyl(oxidanyl)-$l^{3}-sulfanyl]pyridazino[4,5-b]indol-4-one, MAGNESIUM ION, ... | | Authors: | Stuckey, J.A. | | Deposit date: | 2023-02-03 | | Release date: | 2023-05-17 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.838 Å) | | Cite: | Development of Novel Small-Molecule Activators of Pyruvate Kinase Muscle Isozyme 2, PKM2, to Reduce Photoreceptor Apoptosis.
Pharmaceuticals, 16, 2023
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1CEN
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1CEO
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3MTH
 | | X-RAY CRYSTALLOGRAPHIC STUDIES ON HEXAMERIC INSULINS IN THE PRESENCE OF HELIX-STABILIZING AGENTS, THIOCYANATE, METHYLPARABEN AND PHENOL | | Descriptor: | 4-HYDROXY-BENZOIC ACID METHYL ESTER, CHLORIDE ION, METHYLPARABEN INSULIN, ... | | Authors: | Whittingham, J.L, Dodson, E.J, Moody, P.C.E, Dodson, G.G. | | Deposit date: | 1995-09-13 | | Release date: | 1996-01-29 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | X-ray crystallographic studies on hexameric insulins in the presence of helix-stabilizing agents, thiocyanate, methylparaben, and phenol.
Biochemistry, 34, 1995
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1G7B
 | | 1.3 A STRUCTURE OF T3R3 HUMAN INSULIN AT 100 K | | Descriptor: | ACETONE, CHLORIDE ION, GLYCEROL, ... | | Authors: | Smith, G.D, Pangborn, W.A, Blessing, R.H. | | Deposit date: | 2000-11-09 | | Release date: | 2001-08-03 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Phase changes in T(3)R(3)(f) human insulin: temperature or pressure induced?
Acta Crystallogr.,Sect.D, 57, 2001
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5H4G
 | | Structure of PIN-domain protein (VapC4 toxin) from Pyrococcus horikoshii determined at 1.77 A resolution | | Descriptor: | Ribonuclease VapC4, ZINC ION | | Authors: | Biswas, A, Hatti, K, Srinivasan, N, Murthy, M.R.N, Sekar, K. | | Deposit date: | 2016-10-31 | | Release date: | 2016-11-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structure determination of contaminant proteins using the MarathonMR procedure
J. Struct. Biol., 197, 2017
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1G7A
 | | 1.2 A structure of T3R3 human insulin at 100 K | | Descriptor: | ACETONE, CHLORIDE ION, GLYCEROL, ... | | Authors: | Smith, G.D, Pangborn, W.A, Blessing, R.H. | | Deposit date: | 2000-11-09 | | Release date: | 2001-08-03 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Phase changes in T(3)R(3)(f) human insulin: temperature or pressure induced?
Acta Crystallogr.,Sect.D, 57, 2001
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5H4H
 | | Structure of PIN-domain protein (VapC4 toxin) from Pyrococcus horikoshii determined at 2.2 A resolution | | Descriptor: | CADMIUM ION, Ribonuclease VapC4 | | Authors: | Biswas, A, Hatti, K, Srinivasan, N, Murthy, M.R.N, Sekar, K. | | Deposit date: | 2016-10-31 | | Release date: | 2016-11-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Structure determination of contaminant proteins using the MarathonMR procedure
J. Struct. Biol., 197, 2017
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