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PDB: 749 件

7RGO
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BU of 7rgo by Molmil
DfrA5 complexed with NADPH and 4'-chloro-3'-(4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl)-[1,1'-biphenyl]-4-carboxamide (UCP1228)
分子名称: 4'-chloro-3'-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl][1,1'-biphenyl]-4-carboxamide, Dihydrofolate reductase type 5, GLYCEROL, ...
著者Lombardo, M.N, Wright, D.L.
登録日2021-07-15
公開日2022-05-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens.
Commun Biol, 5, 2022
7RGJ
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BU of 7rgj by Molmil
DfrA1 complexed with NADPH and 5-(3-(7-(4-(aminomethyl)phenyl)benzo[d][1,3]dioxol-5-yl)but-1-yn-1-yl)-6-ethylpyrimidine-2,4-diamine (UCP1223)
分子名称: 5-[(3R)-3-{7-[4-(aminomethyl)phenyl]-2H-1,3-benzodioxol-5-yl}but-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine, 5-[(3S)-3-{7-[4-(aminomethyl)phenyl]-2H-1,3-benzodioxol-5-yl}but-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine, CALCIUM ION, ...
著者Lombardo, M.N, Wright, D.L.
登録日2021-07-15
公開日2022-05-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens.
Commun Biol, 5, 2022
6UXC
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1.65A resolution structure of the hypothetical protein CT253 from Chlamydia trachomatis
分子名称: CT253, SODIUM ION
著者Barta, M.L, Lovell, S, Battaile, K.P, Hefty, P.S.
登録日2019-11-07
公開日2020-11-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献1.65A resolution structure of the hypothetical protein CT253 from Chlamydia trachomatis
To be published
7REG
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BU of 7reg by Molmil
DfrA1 complexed with NADPH and 4'-chloro-3'-(4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl)-[1,1'-biphenyl]-4-carboxamide (UCP1228)
分子名称: 4'-chloro-3'-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl][1,1'-biphenyl]-4-carboxamide, CALCIUM ION, Dihydrofolate reductase type 1, ...
著者Lombardo, M.N, Wright, D.L.
登録日2021-07-12
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens.
Commun Biol, 5, 2022
6QBT
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BU of 6qbt by Molmil
Structure of the HTLV-2 integrase catalytic core domain in complex with magnesium (trimeric form)
分子名称: HTLV-2 integrase catalytic core domain, MAGNESIUM ION
著者Barski, M.S, Minnell, J.J, Maertens, G.N.
登録日2018-12-21
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Cryo-EM structure of the deltaretroviral intasome in complex with the PP2A regulatory subunit B56 gamma.
Nat Commun, 11, 2020
6QBV
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BU of 6qbv by Molmil
Structure of the HTLV-2 integrase catalytic core domain in complex with magnesium (dimeric form)
分子名称: Integrase, MAGNESIUM ION
著者Barski, M.S, Maertens, G.N.
登録日2018-12-21
公開日2020-09-30
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Cryo-EM structure of the deltaretroviral intasome in complex with the PP2A regulatory subunit B56 gamma.
Nat Commun, 11, 2020
6QBW
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BU of 6qbw by Molmil
Structure of the HTLV-2 integrase catalytic core domain in complex with calcium
分子名称: CALCIUM ION, integrase
著者Barski, M.S, Maertens, G.N.
登録日2018-12-21
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Cryo-EM structure of the deltaretroviral intasome in complex with the PP2A regulatory subunit B56 gamma.
Nat Commun, 11, 2020
6UXD
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BU of 6uxd by Molmil
2.0A resolution structure of the hypothetical protein CT021 from Chlamydia trachomatis
分子名称: CT021
著者Barta, M.L, Lovell, S, Battaile, K.P, Hefty, P.S.
登録日2019-11-07
公開日2020-11-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献2.0A resolution structure of the hypothetical protein CT021 from Chlamydia trachomatis
To be published
8Q1H
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BU of 8q1h by Molmil
LSD1 Y391K-CoREST bound to Histone H3 N-terminal tail
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Histone H3.3C, Lysine-specific histone demethylase 1A, ...
著者Barone, M, Mattevi, A.
登録日2023-07-31
公開日2024-05-15
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Uncoupling histone modification crosstalk by engineering lysine demethylase LSD1.
Nat.Chem.Biol., 2024
8Q1G
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BU of 8q1g by Molmil
LSD1-CoREST bound to Acetylated K14 of Histone H3
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Histone H3.3C, Lysine-specific histone demethylase 1A, ...
著者Barone, M, Mattevi, A.
登録日2023-07-31
公開日2024-05-15
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Uncoupling histone modification crosstalk by engineering lysine demethylase LSD1.
Nat.Chem.Biol., 2024
8Q1J
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BU of 8q1j by Molmil
LSD1 Y391K-CoREST bound to Acetylated K14 of Histone H3
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Histone H3.3C, Lysine-specific histone demethylase 1A, ...
著者Barone, M, Mattevi, A.
登録日2023-07-31
公開日2024-05-15
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Uncoupling histone modification crosstalk by engineering lysine demethylase LSD1.
Nat.Chem.Biol., 2024
5UE0
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BU of 5ue0 by Molmil
1.90 A resolution structure of CT622 C-terminal domain from Chlamydia trachomatis
分子名称: CT622 protein, SULFATE ION
著者Barta, M.L, Lovell, S, Battaile, K.P, Hefty, P.S.
登録日2016-12-29
公開日2018-01-10
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Loss of Expression of a Single Type 3 Effector (CT622) Strongly ReducesChlamydia trachomatisInfectivity and Growth.
Front Cell Infect Microbiol, 8, 2018
1WA1
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BU of 1wa1 by Molmil
Crystal Structure Of H313Q Mutant Of Alcaligenes Xylosoxidans Nitrite Reductase
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, COPPER (II) ION, DISSIMILATORY COPPER-CONTAINING NITRITE REDUCTASE, ...
著者Barrett, M.L, Harris, R.L, Antonyuk, S.V, Strange, R.W, Hough, M.A, Eady, R.R, Sawers, G, Hasnain, S.S.
登録日2004-10-22
公開日2005-01-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Insights Into Redox Partner Interactions and Substrate Binding in Nitrite Reductase from Alcaligenes Xylosoxidans: Crystal Structures of the Trp138His and His313Gln Mutants
Biochemistry, 43, 2004
1WA0
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BU of 1wa0 by Molmil
Crystal Structure Of W138H Mutant Of Alcaligenes Xylosoxidans Nitrite Reductase
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, COPPER (II) ION, DISSIMILATORY COPPER-CONTAINING NITRITE REDUCTASE, ...
著者Barrett, M.L, Harris, R.L, Antonyuk, S.V, Strange, R.W, Hough, M.A, Eady, R.R, Sawers, G, Hasnain, S.S.
登録日2004-10-22
公開日2005-01-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Insights Into Redox Partner Interactions and Substrate Binding in Nitrite Reductase from Alcaligenes Xylosoxidans: Crystal Structures of the Trp138His and His313Gln Mutants
Biochemistry, 43, 2004
1WA2
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BU of 1wa2 by Molmil
Crystal Structure Of H313Q Mutant Of Alcaligenes Xylosoxidans Nitrite Reductase with nitrite bound
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, COPPER (II) ION, DISSIMILATORY COPPER-CONTAINING NITRITE REDUCTASE,, ...
著者Barrett, M.L, Harris, R.L, Antonyuk, S.V, Strange, R.W, Hough, M.A, Eady, R.R, Sawers, G, Hasnain, S.S.
登録日2004-10-22
公開日2005-01-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Insights Into Redox Partner Interactions and Substrate Binding in Nitrite Reductase from Alcaligenes Xylosoxidans: Crystal Structures of the Trp138His and His313Gln Mutants
Biochemistry, 43, 2004
4MY6
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BU of 4my6 by Molmil
EnaH-EVH1 in complex with peptidomimetic low-molecular weight inhibitor Ac-[2-Cl-F]-[ProM-2]-[ProM-1]-OH
分子名称: (3aR,5aS,8S,10aS)-1-[(3S,6R,8aS)-1'-[(2S)-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8a-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-10-oxidanylidene-2,3,3a,5a,8,10a-hexahydrodipyrrolo[3,2-b:3',1'-f]azepine-8-carboxylic acid, BROMIDE ION, Protein enabled homolog
著者Barone, M, Roske, Y, Kuehne, R.
登録日2013-09-27
公開日2014-10-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A modular toolkit to inhibit proline-rich motif-mediated protein-protein interactions.
Proc.Natl.Acad.Sci.USA, 112, 2015
2CAL
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BU of 2cal by Molmil
Crystal structure of His143Met rusticyanin
分子名称: COPPER (I) ION, RUSTICYANIN
著者Barrett, M.L, Harvey, I, Sundararajan, M, Surendran, R, Hall, J.F, Ellis, M.J, Hough, M.A, Strange, R.W, Hillier, I.H, Hasnain, S.S.
登録日2005-12-21
公開日2006-01-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Atomic Resolution Crystal Structures, Exafs, and Quantum Chemical Studies of Rusticyanin and its Two Mutants Provide Insight Into its Unusual Properties.
Biochemistry, 45, 2006
2CAK
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BU of 2cak by Molmil
1.27Angstrom Structure of Rusticyanin from Thiobacillus ferrooxidans
分子名称: COPPER (I) ION, RUSTICYANIN
著者Barrett, M.L, Harvey, I, Sundararajan, M, Surendran, R, Hall, J.F, Ellis, M.J, Hough, M.A, Strange, R.W, Hillier, I.H, Hasnain, S.S.
登録日2005-12-21
公開日2006-03-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Atomic Resolution Crystal Structures, Exafs, and Quantum Chemical Studies of Rusticyanin and its Two Mutants Provide Insight Into its Unusual Properties.
Biochemistry, 45, 2006
5ECC
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BU of 5ecc by Molmil
Klebsiella pneumoniae DfrA1 complexed with NADPH and 6-ethyl-5-(3-(2-methoxy-5-(pyridin-4-yl)phenyl)prop-1-yn-1-yl)pyrimidine-2,4-diamine
分子名称: 6-ethyl-5-{3-[2-methoxy-5-(pyridin-4-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine, CALCIUM ION, Dehydrofolate reductase type I, ...
著者Lombardo, M.N, Anderson, A.C.
登録日2015-10-20
公開日2016-05-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Crystal Structures of Trimethoprim-Resistant DfrA1 Rationalize Potent Inhibition by Propargyl-Linked Antifolates.
ACS Infect Dis, 2, 2016
2F44
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BU of 2f44 by Molmil
Crystal Structure of the Zinc-bound Shank SAM domain
分子名称: CHLORIDE ION, SH3 and multiple ankyrin repeat domains 3, ZINC ION
著者Baron, M.K, Bowie, J.U, Faham, S.
登録日2005-11-22
公開日2006-02-07
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献An architectural framework that may lie at the core of the postsynaptic density.
Science, 311, 2006
3CV3
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BU of 3cv3 by Molmil
Crystal Structure of GumK mutant D157A in complex with UDP
分子名称: Glucuronosyltransferase GumK, URIDINE-5'-DIPHOSPHATE
著者Barreras, M.
登録日2008-04-17
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure and mechanism of GumK, a membrane-associated glucuronosyltransferase.
J.Biol.Chem., 283, 2008
2F3N
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BU of 2f3n by Molmil
Crystal Structure of the native Shank SAM domain.
分子名称: SH3 and multiple ankyrin repeat domains 3
著者Baron, M.K, Bowie, J.U, Faham, S.
登録日2005-11-22
公開日2006-02-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献An architectural framework that may lie at the core of the postsynaptic density.
Science, 311, 2006
3CUY
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BU of 3cuy by Molmil
Crystal Structure of GumK mutant D157A
分子名称: Glucuronosyltransferase GumK
著者Barreras, M.
登録日2008-04-17
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and mechanism of GumK, a membrane-associated glucuronosyltransferase.
J.Biol.Chem., 283, 2008
3TUL
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BU of 3tul by Molmil
Crystal structure of N-terminal region of Type III Secretion Major Translocator SipB (residues 82-226)
分子名称: Cell invasion protein sipB
著者Barta, M.L, Dickenson, N.E, Patel, M, Keightley, J.A, Picking, W.D, Picking, W.L, Geisbrecht, B.V.
登録日2011-09-16
公開日2012-02-15
最終更新日2012-03-28
実験手法X-RAY DIFFRACTION (2.793 Å)
主引用文献The Structures of Coiled-Coil Domains from Type III Secretion System Translocators Reveal Homology to Pore-Forming Toxins.
J.Mol.Biol., 417, 2012
3R9V
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BU of 3r9v by Molmil
Cocrystal Structure of Proteolytically Truncated Form of IpaD from Shigella flexneri Bound to Deoxycholate
分子名称: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, GLYCEROL, Invasin ipaD
著者Barta, M.L, Dickenson, N.E, Picking, W.L, Picking, W.D, Geisbrecht, B.V.
登録日2011-03-26
公開日2011-12-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of the bile salt binding site on IpaD from Shigella flexneri and the influence of ligand binding on IpaD structure.
Proteins, 80, 2012

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