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8UHL
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BU of 8uhl by Molmil
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
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
8SDX
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BU of 8sdx by Molmil
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
8UK5
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BU of 8uk5 by Molmil
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
2A1B
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BU of 2a1b by Molmil
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
2A10
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BU of 2a10 by Molmil
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
2A18
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BU of 2a18 by Molmil
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
7M98
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BU of 7m98 by Molmil
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
1F0M
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BU of 1f0m by Molmil
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
1NBU
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BU of 1nbu by Molmil
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
2H3K
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BU of 2h3k by Molmil
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
1LX8
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BU of 1lx8 by Molmil
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
1M5Q
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BU of 1m5q by Molmil
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:2017-05-17
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
5BOO
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BU of 5boo by Molmil
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
5DEL
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BU of 5del by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM59
Descriptor: Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
Authors:Phillips, M, Deng, X.
Deposit date:2015-08-25
Release date:2015-10-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The X-ray structure of Plasmodium falciparum dihydroorotate dehydrogenase bound to a potent and selective N-phenylbenzamide inhibitor reveals novel binding-site interactions.
Acta Crystallogr.,Sect.F, 71, 2015
8SDQ
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BU of 8sdq by Molmil
ATAD2 bromodomain in complex with H4S1phK5ac (res 1-15) ligand
Descriptor: ATPase family AAA domain-containing protein 2, Histone H4
Authors:Malone, K.L, Nix, J.C, Glass, K.C.
Deposit date:2023-04-07
Release date:2024-06-05
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Impact of Combinatorial Histone Modifications on Acetyllysine Recognition by the ATAD2 and ATAD2B Bromodomains.
J.Med.Chem., 67, 2024
8SDO
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BU of 8sdo by Molmil
ATAD2 bromodomain in complex with "oncohistone" mutation H4S1CK5ac (res 1-15) ligand
Descriptor: ATPase family AAA domain-containing protein 2, Histone H4
Authors:Malone, K.L, Nix, J.C, Glass, K.C.
Deposit date:2023-04-07
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Impact of Combinatorial Histone Modifications on Acetyllysine Recognition by the ATAD2 and ATAD2B Bromodomains.
J.Med.Chem., 67, 2024
5FI8
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BU of 5fi8 by Molmil
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
6VTN
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BU of 6vtn by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM557
Descriptor: Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
Authors:Deng, X, Phillips, M.
Deposit date:2020-02-13
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Lead Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series for the Treatment of Malaria.
J.Med.Chem., 63, 2020
6VTY
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BU of 6vty by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM483
Descriptor: Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
Authors:Deng, X, Phillips, M.
Deposit date:2020-02-13
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Lead Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series for the Treatment of Malaria.
J.Med.Chem., 63, 2020
5TBO
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BU of 5tbo by Molmil
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
8W2F
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BU of 8w2f by Molmil
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
4RX0
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BU of 4rx0 by Molmil
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
5WDM
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BU of 5wdm by Molmil
An ultra-stable single-chain insulin analog resists thermal inactivation and exhibits biological signaling duration equivalent to the native protein
Descriptor: Single-chain insulin analog
Authors:Yee, V.C, Aldabbagh, K, Peng, Y.
Deposit date:2017-07-05
Release date:2017-11-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.803 Å)
Cite:An ultra-stable single-chain insulin analog resists thermal inactivation and exhibits biological signaling duration equivalent to the native protein.
J. Biol. Chem., 293, 2018
3SFK
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BU of 3sfk by Molmil
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
7UT5
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BU of 7ut5 by Molmil
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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