8UHL
 
 | | ATAD2B bromodomain in complex with histone H4 acetylated at lysine 12 | | Descriptor: | ATPase family AAA domain-containing protein 2B, Histone H4 | | Authors: | Phillips, M, Montgomery, C, Nix, J.C, Glass, K.C. | | Deposit date: | 2023-10-09 | | Release date: | 2024-06-05 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Impact of Combinatorial Histone Modifications on Acetyllysine Recognition by the ATAD2 and ATAD2B Bromodomains.
J.Med.Chem., 67, 2024
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8SDX
 | | ATAD2B bromodomain in complex with histone H4 acetylated at lysine 5 with Serine 1 mutation to Cysteine | | Descriptor: | ATPase family AAA domain-containing protein 2B, SULFATE ION, histone H4S1CK5ac | | Authors: | Phillips, M, Montgomery, C, Nix, J.C, Glass, K.C. | | Deposit date: | 2023-04-07 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Impact of Combinatorial Histone Modifications on Acetyllysine Recognition by the ATAD2 and ATAD2B Bromodomains.
J.Med.Chem., 67, 2024
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8UK5
 | | Crystal structure of the bromodomain of human ATAD2B in complex with histone H4S1(ph)K5ac | | Descriptor: | ATPase family AAA domain-containing protein 2B, Histone H4S1(ph)K5ac | | Authors: | Montgomery, C, Phillips, M, Nix, J.C, Glass, K.C. | | Deposit date: | 2023-10-12 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Impact of Combinatorial Histone Modifications on Acetyllysine Recognition by the ATAD2 and ATAD2B Bromodomains.
J.Med.Chem., 67, 2024
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2A1B
 | | Carboxysome shell protein ccmK2 | | Descriptor: | Carbon dioxide concentrating mechanism protein ccmK homolog 2 | | Authors: | Kerfeld, C.A, Sawaya, M.R, Tanaka, S, Nguyen, C.V, Phillips, M, Beeby, M, Yeates, T.O. | | Deposit date: | 2005-06-20 | | Release date: | 2005-08-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Protein structures forming the shell of primitive bacterial organelles
Science, 309, 2005
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2A10
 | | carboxysome shell protein ccmK4 | | Descriptor: | Carbon dioxide concentrating mechanism protein ccmK homolog 4 | | Authors: | Kerfeld, C.A, Sawaya, M.R, Tanaka, S, Nguyen, C.V, Phillips, M, Beeby, M, Yeates, T.O. | | Deposit date: | 2005-06-17 | | Release date: | 2005-08-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.803 Å) | | Cite: | Protein structures forming the shell of primitive bacterial organelles
Science, 309, 2005
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2A18
 | | carboxysome shell protein ccmK4, crystal form 2 | | Descriptor: | AMMONIUM ION, Carbon dioxide concentrating mechanism protein ccmK homolog 4 | | Authors: | Kerfeld, C.A, Sawaya, M.R, Tanaka, S, Nguyen, C.V, Phillips, M, Beeby, M, Yeates, T.O. | | Deposit date: | 2005-06-18 | | Release date: | 2005-08-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Protein structures forming the shell of primitive bacterial organelles
Science, 309, 2005
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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: | 2024-10-30 | | 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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1F0M
 | | MONOMERIC STRUCTURE OF THE HUMAN EPHB2 SAM (STERILE ALPHA MOTIF) DOMAIN | | Descriptor: | EPHRIN TYPE-B RECEPTOR 2 | | Authors: | Thanos, C.D, Faham, S, Goodwill, K.E, Cascio, D, Phillips, M, Bowie, J.U. | | Deposit date: | 2000-05-16 | | Release date: | 2000-07-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Monomeric structure of the human EphB2 sterile alpha motif domain.
J.Biol.Chem., 274, 1999
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2H3K
 | | Solution Structure of the first NEAT domain of IsdH | | Descriptor: | Haptoglobin-binding surface anchored protein | | Authors: | Pilpa, R.M, Fadeev, E.A, Villareal, V.A, Wong, M.A, Phillips, M, Clubb, R.T. | | Deposit date: | 2006-05-22 | | Release date: | 2006-08-22 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the NEAT (NEAr Transporter) domain from IsdH/HarA: the human hemoglobin receptor in Staphylococcus aureus.
J.Mol.Biol., 360, 2006
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1NBU
 | | 7,8-Dihydroneopterin Aldolase Complexed with Product From Mycobacterium Tuberculosis | | Descriptor: | 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, Probable dihydroneopterin aldolase | | Authors: | Goulding, C.W, Apostol, M.I, Sawaya, M.R, Phillips, M, Parseghian, A, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2002-12-03 | | Release date: | 2004-01-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Regulation by oligomerization in a mycobacterial folate biosynthetic enzyme.
J.Mol.Biol., 349, 2005
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1LX8
 | | Regulation of directionality in bacteriophage lambda site-specific recombination: structure of the Xis protein | | Descriptor: | Excisionase | | Authors: | Sam, M.D, Papagiannis, C, Connolly, K.M, Corselli, L, Iwahara, J, Lee, J, Phillips, M, Wojciak, J.M, Johnson, R.C, Clubb, R.T. | | Deposit date: | 2002-06-04 | | Release date: | 2003-06-10 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Regulation of directionality in bacteriophage lambda site-specific recombination: structure of the Xis protein
J.Mol.Biol., 324, 2002
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1M5Q
 | | Crystal structure of a novel Sm-like archaeal protein from Pyrobaculum aerophilum | | Descriptor: | ACETIC ACID, CADMIUM ION, GLYCEROL, ... | | Authors: | Mura, C, Phillips, M, Kozhukhovsky, A, Eisenberg, D. | | Deposit date: | 2002-07-09 | | Release date: | 2003-03-18 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and assembly of an augmented Sm-like archaeal protein 14-mer
Proc.Natl.Acad.Sci.USA, 100, 2003
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5BOO
 | | Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM265 | | Descriptor: | 2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | Authors: | Phillips, M, Deng, X, Tomchick, D. | | Deposit date: | 2015-05-27 | | Release date: | 2015-07-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A long-duration dihydroorotate dehydrogenase inhibitor (DSM265) for prevention and treatment of malaria.
Sci Transl Med, 7, 2015
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5DEL
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8SDQ
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8SDO
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4RX0
 | | Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM265 | | Descriptor: | 2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | Authors: | Deng, X, Phillips, M, Tomchick, D. | | Deposit date: | 2014-12-08 | | Release date: | 2015-07-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | A long-duration dihydroorotate dehydrogenase inhibitor (DSM265) for prevention and treatment of malaria.
Sci Transl Med, 7, 2015
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7UT5
 | | Acinetobacter baumannii dihydroorotate dehydrogenase bound with inhibitor DSM186 | | Descriptor: | (4R)-7-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl]imidazo[1,2-a]pyrimidin-5-amine, Dihydroorotate dehydrogenase (quinone), FLAVIN MONONUCLEOTIDE, ... | | Authors: | Deng, X, Phillips, M, Tomchick, D. | | Deposit date: | 2022-04-26 | | Release date: | 2022-12-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Repurposed dihydroorotate dehydrogenase inhibitors with efficacy against drug-resistant Acinetobacter baumannii.
Proc.Natl.Acad.Sci.USA, 119, 2022
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8W2F
 | | Plasmodium falciparum 20S proteasome bound to an inhibitor | | Descriptor: | (3S)-1-[(2-fluoroethoxy)acetyl]-N-{[(4P)-4-(6-methylpyridin-3-yl)-1,3-thiazol-2-yl]methyl}piperidine-3-carboxamide, Proteasome endopeptidase complex, Proteasome subunit alpha type, ... | | Authors: | Han, Y, Deng, X, Ray, S, Chen, Z, Phillips, M. | | Deposit date: | 2024-02-20 | | Release date: | 2024-07-31 | | Last modified: | 2024-09-04 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Identification of potent and reversible piperidine carboxamides that are species-selective orally active proteasome inhibitors to treat malaria.
Cell Chem Biol, 31, 2024
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6VTN
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6VTY
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5FI8
 | | Crystal structure of plasmodium falciparum dihydroorotate dehydrogenase bounded with DSM422 (Tetrahydro-2-naphthyl and 2-indanyl triazolopyrimidine) | | Descriptor: | 2-[1,1-bis(fluoranyl)ethyl]-~{N}-[(2~{S})-7-bromanyl-1,2,3,4-tetrahydronaphthalen-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | Authors: | Deng, X, Kokkonda, S, Tomchick, D, Phillips, M. | | Deposit date: | 2015-12-22 | | Release date: | 2016-05-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Tetrahydro-2-naphthyl and 2-Indanyl Triazolopyrimidines Targeting Plasmodium falciparum Dihydroorotate Dehydrogenase Display Potent and Selective Antimalarial Activity.
J.Med.Chem., 59, 2016
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5WDM
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5TBO
 | | Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM421 | | Descriptor: | 2-(1,1-difluoroethyl)-5-methyl-N-[6-(trifluoromethyl)pyridin-3-yl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | Authors: | Deng, X, Phillips, M. | | Deposit date: | 2016-09-12 | | Release date: | 2016-09-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.151 Å) | | Cite: | A Triazolopyrimidine-Based Dihydroorotate Dehydrogenase Inhibitor with Improved Drug-like Properties for Treatment and Prevention of Malaria.
ACS Infect Dis, 2, 2016
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3SFK
 | | Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM267 | | Descriptor: | 2-(1,1-difluoroethyl)-5-methyl-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | Authors: | Deng, X, Phillips, M. | | Deposit date: | 2011-06-13 | | Release date: | 2011-07-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structure-Guided Lead Optimization of Triazolopyrimidine-Ring Substituents Identifies Potent Plasmodium falciparum Dihydroorotate Dehydrogenase Inhibitors with Clinical Candidate Potential.
J.Med.Chem., 54, 2011
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