4R7C
 
 | | Crystal Structure of CNG mimicking NaK-ETPP mutant cocrystallized with DiMethylammonium | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYLAMINE, GLYCINE, ... | | Authors: | De March, M, Napolitano, L.M.R, Onesti, S. | | Deposit date: | 2014-08-27 | | Release date: | 2015-07-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4R6Z
 | | Crystal Structure of CNG mimicking NaK mutant, NaK-ETPP, Cs+ complex | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CESIUM ION, GLYCINE, ... | | Authors: | De March, M, Napolitano, L.M.R, Onesti, S. | | Deposit date: | 2014-08-26 | | Release date: | 2015-07-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4R8C
 | | Crystal Structure of CNG mimicking NaK-ETPP mutant in complex with Rb+ | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCINE, Potassium channel protein, ... | | Authors: | De March, M, Napolitano, L.M.R, Onesti, S. | | Deposit date: | 2014-09-01 | | Release date: | 2015-07-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4RAI
 | | Crystal Structure of CNG mimicking NaK-ETPP mutant in complex with Na+ | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCINE, Potassium channel protein, ... | | Authors: | De March, M, Napolitano, L.M.R, Onesti, S. | | Deposit date: | 2014-09-10 | | Release date: | 2015-07-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels.
Proc.Natl.Acad.Sci.USA, 112, 2015
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6SXB
 | | XPF-ERCC1 Cryo-EM Structure, DNA-Bound form | | Descriptor: | DNA (5'-D(*TP*CP*AP*GP*CP*AP*TP*CP*TP*G)-3'), DNA (5'-D(P*CP*AP*GP*AP*TP*GP*CP*TP*GP*A)-3'), DNA excision repair protein ERCC-1, ... | | Authors: | Jones, M.L, Briggs, D.C, McDonald, N.Q. | | Deposit date: | 2019-09-25 | | Release date: | 2020-03-11 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (7.9 Å) | | Cite: | Cryo-EM structures of the XPF-ERCC1 endonuclease reveal how DNA-junction engagement disrupts an auto-inhibited conformation.
Nat Commun, 11, 2020
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6GNK
 | | Exoenzyme S from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, trimeric crystal form bound to Carba-NAD | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 14-3-3 protein beta/alpha, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Karlberg, T, Pinto, A.F, Hornyak, P, Thorsell, A.G, Nareoja, K, Schuler, H. | | Deposit date: | 2018-05-31 | | Release date: | 2018-09-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | 14-3-3 proteins activate Pseudomonas exotoxins-S and -T by chaperoning a hydrophobic surface.
Nat Commun, 9, 2018
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3IUY
 | | Crystal structure of DDX53 DEAD-box domain | | Descriptor: | ADENOSINE MONOPHOSPHATE, CHLORIDE ION, Probable ATP-dependent RNA helicase DDX53 | | Authors: | Schutz, P, Karlberg, T, Collins, R, Arrowsmith, C.H, Berglund, H, Bountra, C, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kraulis, P, Kotenyova, T, Kotzsch, A, Markova, N, Moche, M, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-08-31 | | Release date: | 2009-10-20 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Comparative Structural Analysis of Human DEAD-Box RNA Helicases.
Plos One, 5, 2010
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4WEX
 | | Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation Y168S | | Descriptor: | 2',3'-cyclic-nucleotide 3'-phosphodiesterase, CHLORIDE ION | | Authors: | Myllykoski, M, Raasakka, A, Kursula, P. | | Deposit date: | 2014-09-11 | | Release date: | 2015-09-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
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4RO2
 | | Crystal Structure of CNG mimicking NaK-ETPP mutant cocrystallized with Methylammonium | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCINE, Potassium channel protein, ... | | Authors: | De March, M, Napolitano, L.M.R, Onesti, S. | | Deposit date: | 2014-10-27 | | Release date: | 2015-07-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels.
Proc.Natl.Acad.Sci.USA, 112, 2015
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6SXA
 | | XPF-ERCC1 Cryo-EM Structure, Apo-form | | Descriptor: | DNA excision repair protein ERCC-1, DNA repair endonuclease XPF | | Authors: | Jones, M.L, Briggs, D.C, McDonald, N.Q. | | Deposit date: | 2019-09-25 | | Release date: | 2020-03-11 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Cryo-EM structures of the XPF-ERCC1 endonuclease reveal how DNA-junction engagement disrupts an auto-inhibited conformation.
Nat Commun, 11, 2020
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6GNJ
 | | Exoenzyme S from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, trimeric crystal form in complex with STO1101 | | Descriptor: | 14-3-3 protein beta/alpha, 3-(12-oxidanylidene-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl)propanoic acid, Exoenzyme S | | Authors: | Karlberg, T, Pinto, A.F, Hornyak, P, Thorsell, A.G, Nareoja, K, Schuler, H. | | Deposit date: | 2018-05-31 | | Release date: | 2018-09-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.24 Å) | | Cite: | 14-3-3 proteins activate Pseudomonas exotoxins-S and -T by chaperoning a hydrophobic surface.
Nat Commun, 9, 2018
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6GN0
 | | Exoenzyme S from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, tetrameric crystal form | | Descriptor: | 14-3-3 protein beta/alpha, Exoenzyme S | | Authors: | Karlberg, T, Pinto, A.F, Hornyak, P, Nareoja, K, Schuler, H. | | Deposit date: | 2018-05-29 | | Release date: | 2018-09-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.24 Å) | | Cite: | 14-3-3 proteins activate Pseudomonas exotoxins-S and -T by chaperoning a hydrophobic surface.
Nat Commun, 9, 2018
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6GNN
 | | Exoenzyme T from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, tetrameric crystal form bound to STO1101 | | Descriptor: | 14-3-3 protein beta/alpha, 3-(12-oxidanylidene-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl)propanoic acid, Exoenzyme T | | Authors: | Karlberg, T, Pinto, A.F, Hornyak, P, Thorsell, A.G, Nareoja, K, Schuler, H. | | Deposit date: | 2018-05-31 | | Release date: | 2018-09-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.79 Å) | | Cite: | 14-3-3 proteins activate Pseudomonas exotoxins-S and -T by chaperoning a hydrophobic surface.
Nat Commun, 9, 2018
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6GN8
 | | Exoenzyme S from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, trimeric crystal form | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 14-3-3 protein beta/alpha, Exoenzyme S | | Authors: | Karlberg, T, Pinto, A.F, Hornyak, P, Thorsell, A.G, Nareoja, K, Schuler, H. | | Deposit date: | 2018-05-30 | | Release date: | 2018-09-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | 14-3-3 proteins activate Pseudomonas exotoxins-S and -T by chaperoning a hydrophobic surface.
Nat Commun, 9, 2018
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5I6D
 | | Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 5 [3-(3-(p-Tolyl)ureido) benzoic acid] | | Descriptor: | 3-{[(4-methylphenyl)carbamoyl]amino}benzoic acid, GLYCEROL, O-phosphoserine sulfhydrylase, ... | | Authors: | Schnell, R, Maric, S, Schneider, G. | | Deposit date: | 2016-02-16 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis.
J.Med.Chem., 59, 2016
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5I7A
 | | Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 1 [3-(3-(3,4-Dichlorophenyl)ureido)benzoic acid] | | Descriptor: | 3-{[(3,4-dichlorophenyl)carbamoyl]amino}benzoic acid, O-phosphoserine sulfhydrylase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Schnell, R, Maric, S, Schneider, G. | | Deposit date: | 2016-02-17 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis.
J.Med.Chem., 59, 2016
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5IW8
 | | Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 4 [5-(3-([1,1'-Biphenyl]-3-yl)ureido)-2-hydroxybenzoic acid] | | Descriptor: | 5-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid, O-phosphoserine sulfhydrylase, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Brunner, K, Schnell, R, Schneider, G. | | Deposit date: | 2016-03-22 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis.
J.Med.Chem., 59, 2016
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6SYT
 | | Structure of the SMG1-SMG8-SMG9 complex | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Gat, Y, Schuller, J.M, Conti, E. | | Deposit date: | 2019-10-01 | | Release date: | 2019-12-11 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.45 Å) | | Cite: | InsP6binding to PIKK kinases revealed by the cryo-EM structure of an SMG1-SMG8-SMG9 complex.
Nat.Struct.Mol.Biol., 26, 2019
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4QIP
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6EUC
 | | Reactivating oxime bound to Tc AChE's catalytic gorge. | | Descriptor: | 2-[(~{E})-hydroxyiminomethyl]-6-(5-morpholin-4-ylpentyl)pyridin-3-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | | Authors: | de la Mora, E, Weik, M, Braiki, A, Mougeot, R, Jean, L, Renard, P.I. | | Deposit date: | 2017-10-30 | | Release date: | 2018-11-14 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.21998858 Å) | | Cite: | Potent 3-Hydroxy-2-Pyridine Aldoxime Reactivators of Organophosphate-Inhibited Cholinesterases with Predicted Blood-Brain Barrier Penetration.
Chemistry, 24, 2018
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4QSK
 | | Crystal Structure of L. monocytogenes Pyruvate Carboxylase in complex with Cyclic-di-AMP | | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, CITRATE ANION, MANGANESE (II) ION, ... | | Authors: | Choi, P.H, Tong, L. | | Deposit date: | 2014-07-04 | | Release date: | 2014-10-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The Cyclic Dinucleotide c-di-AMP Is an Allosteric Regulator of Metabolic Enzyme Function.
Cell(Cambridge,Mass.), 158, 2014
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4QSH
 | | Crystal Structure of L. monocytogenes Pyruvate Carboxylase in complex with Cyclic-di-AMP | | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, CITRATE ANION, MANGANESE (II) ION, ... | | Authors: | Choi, P.H, Tong, L. | | Deposit date: | 2014-07-04 | | Release date: | 2014-10-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | The Cyclic Dinucleotide c-di-AMP Is an Allosteric Regulator of Metabolic Enzyme Function.
Cell(Cambridge,Mass.), 158, 2014
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6EWK
 | | T. californica AChE in complex with a 3-hydroxy-2-pyridine aldoxime. | | Descriptor: | 2-[(~{E})-hydroxyiminomethyl]-6-(5-morpholin-4-ylpentyl)pyridin-3-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | | Authors: | de la Mora, E, Weik, M, Braiki, A, Mougeot, R, Jean, L, Renard, P.I. | | Deposit date: | 2017-11-04 | | Release date: | 2018-11-14 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Potent 3-Hydroxy-2-Pyridine Aldoxime Reactivators of Organophosphate-Inhibited Cholinesterases with Predicted Blood-Brain Barrier Penetration.
Chemistry, 24, 2018
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6Z7G
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6ZB1
 | | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH GSK620 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2, ~{N}5-cyclopropyl-~{N}3-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3,5-dicarboxamide | | Authors: | Chung, C. | | Deposit date: | 2020-06-06 | | Release date: | 2020-08-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The Optimization of a Novel, Weak Bromo and Extra Terminal Domain (BET) Bromodomain Fragment Ligand to a Potent and Selective Second Bromodomain (BD2) Inhibitor.
J.Med.Chem., 63, 2020
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