3VPB
 
 | | ArgX from Sulfolobus tokodaii complexed with LysW/Glu/ADP/Mg/Zn/Sulfate | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Alpha-aminoadipate carrier protein lysW, GLUTAMIC ACID, ... | | Authors: | Tomita, T, Ouchi, T, Kuzuyama, T, Nishiyama, M. | | Deposit date: | 2012-02-29 | | Release date: | 2013-02-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Lysine and arginine biosyntheses mediated by a common carrier protein in Sulfolobus
Nat.Chem.Biol., 9, 2013
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3VPC
 | | ArgX from Sulfolobus tokodaii complexed with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Putative acetylornithine deacetylase | | Authors: | Tomita, T, Horie, A, Kuzuyama, T, Nishiyama, M. | | Deposit date: | 2012-02-29 | | Release date: | 2013-02-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Lysine and arginine biosyntheses mediated by a common carrier protein in Sulfolobus.
Nat.Chem.Biol., 9, 2013
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5K08
 | | RecA mini intein-Zeise's salt complex | | Descriptor: | 3,3',3''-phosphanetriyltripropanoic acid, RecA mini intein, SULFATE ION, ... | | Authors: | Li, Z, Li, H.M. | | Deposit date: | 2016-05-17 | | Release date: | 2016-09-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.401 Å) | | Cite: | Structural insights into protein splicing inhibition by platinum therapeutics as potential anti-microbials
To be published
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4AJ2
 | | rat LDHA in complex with 5-(2-chlorophenyl)-1H-tetrazole | | Descriptor: | 5-(2-CHLOROPHENYL)-1H-TETRAZOLE, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, ... | | Authors: | Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Frazer, M. | | Deposit date: | 2012-02-15 | | Release date: | 2012-03-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
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4AJI
 | | rat LDHA in complex with 2-((3,4-dimethoxyphenyl)methyl))propanedioic acid | | Descriptor: | 2-((3,4-DIMETHOXYPHENYL)METHYL))PROPANEDIOIC ACID, L-LACTATE DEHYDROGENASE A CHAIN | | Authors: | Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Debreczeni, J. | | Deposit date: | 2012-02-16 | | Release date: | 2012-03-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
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4AJK
 | | rat LDHA in complex with N-(2-(methylamino)-1,3-benzothiazol-6-yl) acetamide | | Descriptor: | GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, MALONATE ION, ... | | Authors: | Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Greenwood, R. | | Deposit date: | 2012-02-16 | | Release date: | 2012-03-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
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3VPD
 | | LysX from Thermus thermophilus complexed with AMP-PNP | | Descriptor: | CITRIC ACID, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 modification protein, ... | | Authors: | Tomita, T, Ouchi, T, Kuzuyama, T, Nishiyama, M. | | Deposit date: | 2012-02-29 | | Release date: | 2013-02-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Lysine and arginine biosyntheses mediated by a common carrier protein in Sulfolobus.
Nat.Chem.Biol., 9, 2013
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1PEA
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8CUL
 | | Xray ray crystal structure of OXA-24/40 in complex with CR167 | | Descriptor: | 3-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase | | Authors: | Fernando, M.C, Wallar, B.J, Powers, R.A. | | Deposit date: | 2022-05-17 | | Release date: | 2023-04-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii .
Antibiotics, 12, 2023
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8CUQ
 | | X-ray crystal structure of ADC-33 in complex with sulfonamidoboronic acid 6e | | Descriptor: | 3-[(4R)-4-ethyl-5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl]benzoic acid, Beta-lactamase | | Authors: | Fernando, M.C, Wallar, B.J, Powers, R.A. | | Deposit date: | 2022-05-17 | | Release date: | 2023-04-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii .
Antibiotics, 12, 2023
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8CUO
 | | X-ray crystal structure of OXA-24/40 in complex with sulfonamidoboronic acid 6e | | Descriptor: | 3-({[(1R)-1-boronopropyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase, SULFATE ION | | Authors: | Fernando, M.C, Wallar, B.J, Powers, R.A. | | Deposit date: | 2022-05-17 | | Release date: | 2023-04-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii .
Antibiotics, 12, 2023
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8CUP
 | | X-ray crystal structure of ADC-33 in complex with sulfonamidoboronic acid 6d | | Descriptor: | 3-[(4S)-4-ethyl-5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl]benzoic acid, Beta-lactamase | | Authors: | Fernando, M.C, Wallar, B.J, Powers, R.A. | | Deposit date: | 2022-05-17 | | Release date: | 2023-04-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii .
Antibiotics, 12, 2023
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8CUM
 | | X-ray crystal structure of OXA-24/40 in complex with sulfonamidoboronic acid 6d | | Descriptor: | 3-({[(1S)-1-boronopropyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase, SULFATE ION | | Authors: | Fernando, M.C, Wallar, B.J, Powers, R.A. | | Deposit date: | 2022-05-17 | | Release date: | 2023-04-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii .
Antibiotics, 12, 2023
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1ZXV
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4NPW
 | | Crystal structure of human PDE1B bound to inhibitor 19A (7,8-dimethoxy-N-[(2S)-1-(3-methyl-1H-pyrazol-5-yl)propan-2-yl]quinazolin-4-amine) | | Descriptor: | 7,8-dimethoxy-N-[(2S)-1-(3-methyl-1H-pyrazol-5-yl)propan-2-yl]quinazolin-4-amine, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, MAGNESIUM ION, ... | | Authors: | Pandit, J, Evdomikov, A, Mansour, M, Simons, S. | | Deposit date: | 2013-11-22 | | Release date: | 2014-07-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Small-molecule phosphodiesterase probes: discovery of potent and selective CNS-penetrable quinazoline inhibitors of PDE1
MEDCHEMCOMM, 2014
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4LIM
 | | Crystal structure of the catalytic subunit of yeast primase | | Descriptor: | DNA primase small subunit, ZINC ION | | Authors: | Vaithiyalingam, S, Chazin, W.J, Berger, J.M, Corn, J, Stephenson, S. | | Deposit date: | 2013-07-02 | | Release date: | 2013-12-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Insights into Eukaryotic Primer Synthesis from Structures of the p48 Subunit of Human DNA Primase.
J.Mol.Biol., 426, 2014
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4NPV
 | | Crystal structure of human PDE1B bound to inhibitor 7A (6,7,8-trimethoxy-N-(pentan-3-yl)quinazolin-4-amine) | | Descriptor: | 6,7,8-trimethoxy-N-(pentan-3-yl)quinazolin-4-amine, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, MAGNESIUM ION, ... | | Authors: | Pandit, J, Evdomikov, A, Mansour, M, Simons, S. | | Deposit date: | 2013-11-22 | | Release date: | 2014-07-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Small-molecule phosphodiesterase probes: discovery of potent and selective CNS-penetrable quinazoline inhibitors of PDE1
MEDCHEMCOMM, 2014
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7M98
 | | ATAD2 bromodomain complexed with histone H4K5ac (res 1-10) ligand | | Descriptor: | ATPase family AAA domain-containing protein 2, Histone H4 | | Authors: | Malone, K.L, Phillips, M, Nix, J.C, Glass, K.C. | | Deposit date: | 2021-03-30 | | Release date: | 2021-09-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Coordination of Di-Acetylated Histone Ligands by the ATAD2 Bromodomain.
Int J Mol Sci, 22, 2021
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2PJH
 | | Strctural Model of the p97 N domain- npl4 UBD complex | | Descriptor: | Nuclear protein localization protein 4 homolog, Transitional endoplasmic reticulum ATPase | | Authors: | Isaacson, R, Pye, V.E, Simpson, S, Meyer, H.H, Zhang, X, Freemont, P. | | Deposit date: | 2007-04-16 | | Release date: | 2007-05-08 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Detailed structural insights into the p97-Npl4-Ufd1 interface.
J.Biol.Chem., 282, 2007
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8EHX
 | | cryo-EM structure of TMEM63B in LMNG | | Descriptor: | CSC1-like protein 2 | | Authors: | Zheng, W, Fu, T.M, Holt, J.R. | | Deposit date: | 2022-09-14 | | Release date: | 2023-08-23 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | TMEM63 proteins function as monomeric high-threshold mechanosensitive ion channels.
Neuron, 111, 2023
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8EHW
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4BQH
 | | Crystal structure of the uridine diphosphate N-acetylglucosamine pyrophosphorylase from Trypanosoma brucei in complex with inhibitor | | Descriptor: | (3S)-3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-4-bromanyl-5-methyl-3-oxidanyl-1H-indol-2-one, SULFATE ION, UDP-N-ACETYLGLUCOSAMINE PYROPHOSPHORYLASE | | Authors: | Fang, W, Raimi, O.G, vanAalten, D.M.F. | | Deposit date: | 2013-05-30 | | Release date: | 2013-07-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | A Novel Allosteric Inhibitor of the Uridine Diphosphate N-Acetylglucosamine Pyrophosphorylase from Trypanosoma Brucei.
Acs Chem.Biol., 8, 2013
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4JIA
 | | JAK2 kinase (JH1 domain) in complex with compound 9 | | Descriptor: | 5-(4-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl][1,2,4]triazolo[1,5-a]pyridin-2-amine, GLYCEROL, Tyrosine-protein kinase JAK2 | | Authors: | Eigenbrot, C, Ultsch, M. | | Deposit date: | 2013-03-05 | | Release date: | 2013-08-07 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | 2-Amino-[1,2,4]triazolo[1,5-a]pyridines as JAK2 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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4JI9
 | | JAK2 kinase (JH1 domain) in complex with TG101209 | | Descriptor: | N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide, Tyrosine-protein kinase JAK2 | | Authors: | Eigenbrot, C, Ultsch, M. | | Deposit date: | 2013-03-05 | | Release date: | 2013-08-07 | | Last modified: | 2013-08-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | 2-Amino-[1,2,4]triazolo[1,5-a]pyridines as JAK2 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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8TH4
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