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6FWK
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BU of 6fwk by Molmil
The crystal structure of Pol2CORE-M644G in complex with DNA and an incoming nucleotide
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(P*TP*AP*AP*CP*CP*GP*CP*GP*TP*TP*(DOC))-3'), ...
著者Parkash, V, Johansson, E.
登録日2018-03-06
公開日2019-01-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.503 Å)
主引用文献Structural consequence of the most frequently recurring cancer-associated substitution in DNA polymerase epsilon.
Nat Commun, 10, 2019
4EV4
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BU of 4ev4 by Molmil
Crystal structure of serratia fonticola carbapenemase SFC-1 E166A mutant with the acylenzyme intermediate of meropenem
分子名称: (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, Carbapenem-hydrolizing beta-lactamase SFC-1
著者Fonseca, F, Spencer, J.
登録日2012-04-25
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The basis for carbapenem hydrolysis by class A beta-lactamases: a combined investigation using crystallography and simulations.
J.Am.Chem.Soc., 134, 2012
1XGK
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BU of 1xgk by Molmil
CRYSTAL STRUCTURE OF N12G AND A18G MUTANT NMRA
分子名称: CHLORIDE ION, GLYCEROL, NITROGEN METABOLITE REPRESSION REGULATOR NMRA, ...
著者Lamb, H.K, Ren, J, Park, A, Johnson, C, Leslie, K, Cocklin, S, Thompson, P, Mee, C, Cooper, A, Stammers, D.K, Hawkins, A.R.
登録日2004-09-17
公開日2004-12-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Modulation of the ligand binding properties of the transcription repressor NmrA by GATA-containing DNA and site-directed mutagenesis
Protein Sci., 13, 2004
6FRL
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BU of 6frl by Molmil
BrvH, a flavin-dependent halogenase from Brevundimonas sp. BAL3
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, L(+)-TARTARIC ACID, ...
著者Widmann, C, Neubauer, P.R, Sewald, N, Niemann, H.H.
登録日2018-02-16
公開日2018-05-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A flavin-dependent halogenase from metagenomic analysis prefers bromination over chlorination.
PLoS ONE, 13, 2018
4AE7
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BU of 4ae7 by Molmil
Crystal structure of human THEM5
分子名称: THIOESTERASE SUPERFAMILY MEMBER 5
著者Zhuravleva, E, Gut, H, Hynx, D, Marcellin, D, Bleck, C.K.E, Genoud, C, Cron, P, Keusch, J.J, Dummler, B, Degli Esposti, M, Hemmings, B.A.
登録日2012-01-09
公開日2012-07-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Acyl Coenzyme a Thioesterase Them5/Acot15 is Involved in Cardiolipin Remodeling and Fatty Liver Development.
Mol.Cell.Biol., 32, 2012
6G9X
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BU of 6g9x by Molmil
Crystal structure of a MFS transporter at 2.54 Angstroem resolution
分子名称: 2-sulfanylbenzoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MERCURY (II) ION, ...
著者Kalbermatter, D, Bosshart, P, Bonetti, S, Fotiadis, D.
登録日2018-04-11
公開日2019-07-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mechanistic basis of L-lactate transport in the SLC16 solute carrier family.
Nat Commun, 10, 2019
4APS
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BU of 4aps by Molmil
Crystal structure of a POT family peptide transporter in an inward open conformation.
分子名称: CADMIUM ION, DI-OR TRIPEPTIDE H+ SYMPORTER
著者Solcan, N, Kwok, J, Fowler, P.W, Cameron, A.D, Drew, D, Iwata, S, Newstead, S.
登録日2012-04-05
公開日2012-06-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Alternating Access Mechanism in the Pot Family of Oligopeptide Transporters.
Embo J., 31, 2012
4AE8
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BU of 4ae8 by Molmil
Crystal structure of human THEM4
分子名称: THIOESTERASE SUPERFAMILY MEMBER 4
著者Zhuravleva, E, Gut, H, Hynx, D, Marcellin, D, Bleck, C.K.E, Genoud, C, Cron, P, Keusch, J.J, Dummler, B, Degli Esposti, M, Hemmings, B.A.
登録日2012-01-09
公開日2012-07-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.594 Å)
主引用文献Acyl Coenzyme a Thioesterase Them5/Acot15 is Involved in Cardiolipin Remodeling and Fatty Liver Development.
Mol.Cell.Biol., 32, 2012
4IBG
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BU of 4ibg by Molmil
Ebola virus VP35 bound to small molecule
分子名称: GLYCEROL, PHOSPHATE ION, Polymerase cofactor VP35, ...
著者Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K.
登録日2012-12-08
公開日2014-03-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.413 Å)
主引用文献In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
4IBB
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BU of 4ibb by Molmil
Ebola virus VP35 bound to small molecule
分子名称: Polymerase cofactor VP35, {4-[(5R)-3-hydroxy-2-oxo-4-(thiophen-2-ylcarbonyl)-5-(2,4,5-trimethylphenyl)-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid
著者Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-12-08
公開日2014-02-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.752 Å)
主引用文献In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
6GHQ
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BU of 6ghq by Molmil
HtxB D206N protein variant from Pseudomonas stutzeri in a partially open conformation to 1.53 A resolution
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, ...
著者Bisson, C, Robertson, A.J, Hitchcock, A, Adams, N.B.
登録日2018-05-08
公開日2019-05-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Phosphite binding by the HtxB periplasmic binding protein depends on the protonation state of the ligand.
Sci Rep, 9, 2019
4IBD
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BU of 4ibd by Molmil
Ebola virus VP35 bound to small molecule
分子名称: 5-[(2R)-3-benzoyl-2-(4-bromothiophen-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-2-methylbenzoic acid, GLYCEROL, MAGNESIUM ION, ...
著者Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K.
登録日2012-12-08
公開日2014-03-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
3NV0
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BU of 3nv0 by Molmil
Crystal structure and mutational analysis of the NXF2/NXT1 heterodimeric complex from caenorhabditis elegans at 1.84 A resolution
分子名称: 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, ...
著者Kerkow, D.E, Carmel, A.B, Williamson, J.R.
登録日2010-07-07
公開日2011-07-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献The structure of the NXF2/NXT1 heterodimeric complex reveals the combined specificity and versatility of the NTF2-like fold.
J.Mol.Biol., 415, 2012
3J5R
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BU of 3j5r by Molmil
Reconstruction of TRPV1 ion channel in complex with capsaicin by single particle cryo-microscopy
分子名称: Transient receptor potential cation channel subfamily V member 1
著者Liao, M, Cao, E, Julius, D, Cheng, Y.
登録日2013-10-28
公開日2013-12-04
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献TRPV1 structures in distinct conformations reveal activation mechanisms.
Nature, 504, 2013
1G10
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BU of 1g10 by Molmil
TOLUENE-4-MONOOXYGENASE CATALYTIC EFFECTOR PROTEIN NMR STRUCTURE
分子名称: TOLUENE-4-MONOOXYGENASE CATALYTIC EFFECTOR
著者Hemmi, H, Studts, J.M, Chae, Y.K, Song, J, Markley, J.L, Fox, B.G.
登録日2000-10-10
公開日2001-05-09
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of the toluene 4-monooxygenase effector protein (T4moD).
Biochemistry, 40, 2001
6H1E
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BU of 6h1e by Molmil
Crystal structure of C21orf127-TRMT112 in complex with SAH and H4 peptide
分子名称: HemK methyltransferase family member 2, Histone H4 peptide, Multifunctional methyltransferase subunit TRM112-like protein, ...
著者Wang, S, Hermann, B, Metzger, E, Peng, L, Einsle, O, Schuele, R.
登録日2018-07-11
公開日2019-05-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献KMT9 monomethylates histone H4 lysine 12 and controls proliferation of prostate cancer cells.
Nat.Struct.Mol.Biol., 26, 2019
1XYS
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BU of 1xys by Molmil
CATALYTIC CORE OF XYLANASE A E246C MUTANT
分子名称: CALCIUM ION, XYLANASE A
著者Harris, G.W, Jenkins, J.A, Connerton, I, Pickersgill, R.W.
登録日1994-09-02
公開日1995-07-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the catalytic core of the family F xylanase from Pseudomonas fluorescens and identification of the xylopentaose-binding sites.
Structure, 2, 1994
6GCJ
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BU of 6gcj by Molmil
Solution structure of the RodA hydrophobin from Aspergillus fumigatus
分子名称: Hydrophobin
著者Pille, A, Kwan, A, Aimanianda, V, Latge, J.-P, Sunde, M, Guijarro, J.I.
登録日2018-04-18
公開日2019-03-27
最終更新日2019-09-04
実験手法SOLUTION NMR
主引用文献Assembly and disassembly of Aspergillus fumigatus conidial rodlets
Cell Surf, 2019
4JC5
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BU of 4jc5 by Molmil
Immune activator bound to receptor
分子名称: (9-oxoacridin-10(9H)-yl)acetic acid, Transmembrane protein 173
著者Deimling, T, Hopfner, K.P.
登録日2013-02-21
公開日2013-05-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Species-specific detection of the antiviral small-molecule compound CMA by STING.
Embo J., 32, 2013
4IBK
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BU of 4ibk by Molmil
Ebola virus VP35 bound to small molecule
分子名称: 3-{(2S)-2-(7-chloro-1,3-benzodioxol-5-yl)-3-[(5-chlorothiophen-2-yl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K.
登録日2012-12-08
公開日2014-03-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
4IBC
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BU of 4ibc by Molmil
Ebola virus VP35 bound to small molecule
分子名称: DIMETHYL SULFOXIDE, Polymerase cofactor VP35, {4-[(2R)-3-(2-chlorobenzoyl)-2-(2-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid
著者Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K.
登録日2012-12-08
公開日2014-03-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.745 Å)
主引用文献In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
3WMX
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BU of 3wmx by Molmil
GalE-like L-Threonine dehydrogenase from Cupriavidus necator (holo form)
分子名称: NAD dependent epimerase/dehydratase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, THREONINE
著者Nakano, S, Okazaki, S, Tokiwa, H, Asano, Y.
登録日2013-11-29
公開日2014-02-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Binding of NAD+ and L-Threonine Induces Stepwise Structural and Flexibility Changes in Cupriavidus necator L-Threonine Dehydrogenase
J.Biol.Chem., 289, 2014
4B6Q
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BU of 4b6q by Molmil
Structure of Mycobacterium tuberculosis Type II Dehydroquinase inhibited by (2R)-2-(benzothiophen-5-yl)methyl-3-dehydroquinic acid
分子名称: (1R,2R,4S,5R)-2-(benzo[b]thiophen-5-yl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, SULFATE ION
著者Otero, J.M, Llamas-Saiz, A.L, Lence, E, Tizon, L, Peon, A, Prazeres, V.F.V, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
登録日2012-08-14
公開日2012-12-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Mechanistic basis of the inhibition of type II dehydroquinase by (2S)- and (2R)-2-benzyl-3-dehydroquinic acids.
ACS Chem. Biol., 8, 2013
2A4N
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BU of 2a4n by Molmil
Crystal structure of aminoglycoside 6'-N-acetyltransferase complexed with coenzyme A
分子名称: COENZYME A, SULFATE ION, aac(6')-Ii
著者Burk, D.L, Xiong, B, Breitbach, C, Berghuis, A.M.
登録日2005-06-29
公開日2005-09-20
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of aminoglycoside acetyltransferase AAC(6')-Ii in a novel crystal form: structural and normal-mode analyses.
Acta Crystallogr.,Sect.D, 61, 2005
4EQI
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BU of 4eqi by Molmil
Crystal structure of serratia fonticola carbapenemase SFC-1
分子名称: 1,2-ETHANEDIOL, Carbapenem-hydrolizing beta-lactamase SFC-1, SODIUM ION
著者Fonseca, F, Spencer, J.
登録日2012-04-18
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献The basis for carbapenem hydrolysis by class A beta-lactamases: a combined investigation using crystallography and simulations.
J.Am.Chem.Soc., 134, 2012

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