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7M98
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BU of 7m98 by Molmil
ATAD2 bromodomain complexed with histone H4K5ac (res 1-10) ligand
分子名称: ATPase family AAA domain-containing protein 2, Histone H4
著者Malone, K.L, Phillips, M, Nix, J.C, Glass, K.C.
登録日2021-03-30
公開日2021-09-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Coordination of Di-Acetylated Histone Ligands by the ATAD2 Bromodomain.
Int J Mol Sci, 22, 2021
2A1B
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BU of 2a1b by Molmil
Carboxysome shell protein ccmK2
分子名称: Carbon dioxide concentrating mechanism protein ccmK homolog 2
著者Kerfeld, C.A, Sawaya, M.R, Tanaka, S, Nguyen, C.V, Phillips, M, Beeby, M, Yeates, T.O.
登録日2005-06-20
公開日2005-08-09
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献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
分子名称: Carbon dioxide concentrating mechanism protein ccmK homolog 4
著者Kerfeld, C.A, Sawaya, M.R, Tanaka, S, Nguyen, C.V, Phillips, M, Beeby, M, Yeates, T.O.
登録日2005-06-17
公開日2005-08-09
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.803 Å)
主引用文献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
分子名称: AMMONIUM ION, Carbon dioxide concentrating mechanism protein ccmK homolog 4
著者Kerfeld, C.A, Sawaya, M.R, Tanaka, S, Nguyen, C.V, Phillips, M, Beeby, M, Yeates, T.O.
登録日2005-06-18
公開日2005-08-09
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Protein structures forming the shell of primitive bacterial organelles
Science, 309, 2005
1F0M
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BU of 1f0m by Molmil
MONOMERIC STRUCTURE OF THE HUMAN EPHB2 SAM (STERILE ALPHA MOTIF) DOMAIN
分子名称: EPHRIN TYPE-B RECEPTOR 2
著者Thanos, C.D, Faham, S, Goodwill, K.E, Cascio, D, Phillips, M, Bowie, J.U.
登録日2000-05-16
公開日2000-07-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Monomeric structure of the human EphB2 sterile alpha motif domain.
J.Biol.Chem., 274, 1999
1M5Q
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BU of 1m5q by Molmil
Crystal structure of a novel Sm-like archaeal protein from Pyrobaculum aerophilum
分子名称: ACETIC ACID, CADMIUM ION, GLYCEROL, ...
著者Mura, C, Phillips, M, Kozhukhovsky, A, Eisenberg, D.
登録日2002-07-09
公開日2003-03-18
最終更新日2017-05-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and assembly of an augmented Sm-like archaeal protein 14-mer
Proc.Natl.Acad.Sci.USA, 100, 2003
1NBU
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BU of 1nbu by Molmil
7,8-Dihydroneopterin Aldolase Complexed with Product From Mycobacterium Tuberculosis
分子名称: 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, Probable dihydroneopterin aldolase
著者Goulding, C.W, Apostol, M.I, Sawaya, M.R, Phillips, M, Parseghian, A, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
登録日2002-12-03
公開日2004-01-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
分子名称: Haptoglobin-binding surface anchored protein
著者Pilpa, R.M, Fadeev, E.A, Villareal, V.A, Wong, M.A, Phillips, M, Clubb, R.T.
登録日2006-05-22
公開日2006-08-22
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献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
分子名称: Excisionase
著者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.
登録日2002-06-04
公開日2003-06-10
最終更新日2021-10-27
実験手法SOLUTION NMR
主引用文献Regulation of directionality in bacteriophage lambda site-specific recombination: structure of the Xis protein
J.Mol.Biol., 324, 2002
5BOO
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BU of 5boo by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM265
分子名称: 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, ...
著者Phillips, M, Deng, X, Tomchick, D.
登録日2015-05-27
公開日2015-07-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献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
分子名称: Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
著者Phillips, M, Deng, X.
登録日2015-08-25
公開日2015-10-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
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
分子名称: Single-chain insulin analog
著者Yee, V.C, Aldabbagh, K, Peng, Y.
登録日2017-07-05
公開日2017-11-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.803 Å)
主引用文献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
1LOJ
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BU of 1loj by Molmil
Crystal structure of a Methanobacterial Sm-like archaeal protein (SmAP1) bound to uridine-5'-monophosphate (UMP)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, URIDINE, URIDINE-5'-MONOPHOSPHATE, ...
著者Mura, C, Kozhukhovsky, A, Eisenberg, D.
登録日2002-05-06
公開日2003-03-25
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The oligomerization and ligand-binding properties of Sm-like archaeal proteins (SmAPs)
Protein Sci., 12, 2003
7UT5
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BU of 7ut5 by Molmil
Acinetobacter baumannii dihydroorotate dehydrogenase bound with inhibitor DSM186
分子名称: (4R)-7-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl]imidazo[1,2-a]pyrimidin-5-amine, Dihydroorotate dehydrogenase (quinone), FLAVIN MONONUCLEOTIDE, ...
著者Deng, X, Phillips, M, Tomchick, D.
登録日2022-04-26
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Repurposed dihydroorotate dehydrogenase inhibitors with efficacy against drug-resistant Acinetobacter baumannii.
Proc.Natl.Acad.Sci.USA, 119, 2022
5TBO
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BU of 5tbo by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM421
分子名称: 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, ...
著者Deng, X, Phillips, M.
登録日2016-09-12
公開日2016-09-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.151 Å)
主引用文献A Triazolopyrimidine-Based Dihydroorotate Dehydrogenase Inhibitor with Improved Drug-like Properties for Treatment and Prevention of Malaria.
ACS Infect Dis, 2, 2016
7RL2
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BU of 7rl2 by Molmil
Crystal Structure of the Human Cytochrome P450 2C9*8 (CYP2C9*8) Genetic Variant in Complex with the Drug Losartan
分子名称: Cytochrome P450 2C9, PHOSPHATE ION, POTASSIUM ION, ...
著者Shah, M.B.
登録日2021-07-23
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Insights into the Genetic Variations of Human Cytochrome P450 2C9: Structural Analysis, Characterization and Comparison.
Int J Mol Sci, 22, 2021
3SFK
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BU of 3sfk by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM267
分子名称: 2-(1,1-difluoroethyl)-5-methyl-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Deng, X, Phillips, M.
登録日2011-06-13
公開日2011-07-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structure-Guided Lead Optimization of Triazolopyrimidine-Ring Substituents Identifies Potent Plasmodium falciparum Dihydroorotate Dehydrogenase Inhibitors with Clinical Candidate Potential.
J.Med.Chem., 54, 2011
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)
分子名称: 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, ...
著者Deng, X, Kokkonda, S, Tomchick, D, Phillips, M.
登録日2015-12-22
公開日2016-05-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Tetrahydro-2-naphthyl and 2-Indanyl Triazolopyrimidines Targeting Plasmodium falciparum Dihydroorotate Dehydrogenase Display Potent and Selective Antimalarial Activity.
J.Med.Chem., 59, 2016
3UE5
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BU of 3ue5 by Molmil
ECP-cleaved Actin in complex with Spir domain D
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Chen, C, Phillips, M, Sawaya, M.R, Ralston, C.Y, Quinlan, M.E.
登録日2011-10-28
公開日2012-02-15
最終更新日2012-04-11
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Multiple Forms of Spire-Actin Complexes and their Functional Consequences.
J.Biol.Chem., 287, 2012
6VTN
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BU of 6vtn by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM557
分子名称: Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
著者Deng, X, Phillips, M.
登録日2020-02-13
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献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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Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM483
分子名称: Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
著者Deng, X, Phillips, M.
登録日2020-02-13
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Lead Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series for the Treatment of Malaria.
J.Med.Chem., 63, 2020
4RX0
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BU of 4rx0 by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM265
分子名称: 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, ...
著者Deng, X, Phillips, M, Tomchick, D.
登録日2014-12-08
公開日2015-07-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献A long-duration dihydroorotate dehydrogenase inhibitor (DSM265) for prevention and treatment of malaria.
Sci Transl Med, 7, 2015
6VEO
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BU of 6veo by Molmil
ATAD2B bromodomain in complex with 4-({[(3R,4R)-4-{[3-methyl-5-(5-methylpyridin-3-yl)-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl]amino}piperidin-3-yl]oxy}methyl)-1lambda~6~-thiane-1,1-dione (compound 38)
分子名称: 4-({[(3R,4R)-4-{[3-methyl-5-(5-methylpyridin-3-yl)-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl]amino}piperidin-3-yl]oxy}methyl)-1lambda~6~-thiane-1,1-dione, ATPase family AAA domain-containing protein 2B, SULFATE ION
著者Glass, K.C.
登録日2020-01-02
公開日2020-10-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Insights into the Recognition of Mono- and Diacetylated Histones by the ATAD2B Bromodomain.
J.Med.Chem., 63, 2020
4EFH
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BU of 4efh by Molmil
Acanthamoeba Actin complex with Spir domain D
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin-1, CALCIUM ION, ...
著者Chen, C, Phillips, M, Sawaya, M.R, Quinlan, M.E.
登録日2012-03-29
公開日2012-04-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Multiple Forms of Spire-Actin Complexes and their Functional Consequences.
J.Biol.Chem., 287, 2012
7KH2
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BU of 7kh2 by Molmil
Structure of N-citrylornithine decarboxylase bound with PLP
分子名称: GLYCEROL, N-citrylornithine decarboxylase, PYRIDOXAL-5'-PHOSPHATE, ...
著者Deng, X, Tomchick, D, Phillips, M, Michael, A.
登録日2020-10-19
公開日2020-12-16
最終更新日2021-07-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Alternative pathways utilize or circumvent putrescine for biosynthesis of putrescine-containing rhizoferrin.
J.Biol.Chem., 296, 2020

 

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