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4XD6
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BU of 4xd6 by Molmil
Phosphotriesterase Variant E2a
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-E2, ...
著者Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N.
登録日2014-12-19
公開日2015-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016
4XD5
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BU of 4xd5 by Molmil
Phosphotriesterase variant R2
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-R2, ...
著者Campbell, E, Kaltenbach, M, Tokuriki, N, Jackson, C.J.
登録日2014-12-19
公開日2015-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016
4XAF
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BU of 4xaf by Molmil
Cycles of destabilization and repair underlie evolutionary transitions in enzymes
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-R1, ...
著者Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N.
登録日2014-12-14
公開日2015-12-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016
3SR2
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BU of 3sr2 by Molmil
Crystal Structure of Human XLF-XRCC4 Complex
分子名称: DNA repair protein XRCC4, Non-homologous end-joining factor 1
著者Hammel, M, Classen, S, Tainer, J.A.
登録日2011-07-06
公開日2011-07-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.9708 Å)
主引用文献XRCC4 Protein Interactions with XRCC4-like Factor (XLF) Create an Extended Grooved Scaffold for DNA Ligation and Double Strand Break Repair.
J.Biol.Chem., 286, 2011
4XAZ
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BU of 4xaz by Molmil
Cycles of destabilization and repair underlie evolutionary transitions in enzymes
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Phosphotriesterase variant PTE-R18, ZINC ION
著者Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N.
登録日2014-12-16
公開日2015-12-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016
4XD4
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BU of 4xd4 by Molmil
Phosphotriesterase variant E2b
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-R3, ...
著者Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N.
登録日2014-12-19
公開日2015-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016
6I3T
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BU of 6i3t by Molmil
Crystal structure of murine neuroglobin bound to CO at 40 K.
分子名称: ACETATE ION, CARBON MONOXIDE, FORMIC ACID, ...
著者Savino, C, Montemiglio, L.C, Ardiccioni, C, Exertier, C.
登録日2018-11-07
公開日2019-09-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Ligand pathways in neuroglobin revealed by low-temperature photodissociation and docking experiments.
Iucrj, 6, 2019
6I40
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BU of 6i40 by Molmil
Crystal structure of murine neuroglobin bound to CO at 15K under illumination using optical fiber
分子名称: ACETATE ION, CARBON MONOXIDE, FORMIC ACID, ...
著者Savino, C, Montemiglio, L.C, Ardiccioni, C, Exertier, C, Vallone, B.
登録日2018-11-08
公開日2019-09-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Ligand pathways in neuroglobin revealed by low-temperature photodissociation and docking experiments.
Iucrj, 6, 2019
4YHU
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BU of 4yhu by Molmil
Yeast Prp3 C-terminal fragment 296-469
分子名称: U4/U6 small nuclear ribonucleoprotein PRP3, YTTRIUM (III) ION
著者Liu, S, Wahl, M.C.
登録日2015-02-27
公開日2015-07-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A composite double-/single-stranded RNA-binding region in protein Prp3 supports tri-snRNP stability and splicing.
Elife, 4, 2015
4XAY
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BU of 4xay by Molmil
Cycles of destabilization and repair underlie evolutionary transitions in enzymes
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-R8, ...
著者Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N.
登録日2014-12-16
公開日2015-12-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016
4KJU
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BU of 4kju by Molmil
Crystal structure of XIAP-Bir2 with a bound benzodiazepinone inhibitor.
分子名称: E3 ubiquitin-protein ligase XIAP, N-{(3S)-5-(4-aminobenzoyl)-1-[(2-methoxynaphthalen-1-yl)methyl]-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl}-N~2~-methyl-L-alaninamide, ZINC ION
著者Lukacs, C.M, Janson, C.A.
登録日2013-05-03
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain.
J.Med.Chem., 56, 2013
4KJV
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BU of 4kjv by Molmil
Crystal structure of XIAP-Bir2 with a bound spirocyclic benzoxazepinone inhibitor.
分子名称: 6-methoxy-5-({(3S)-3-[(N-methyl-L-alanyl)amino]-4-oxo-2',3,3',4,5',6'-hexahydro-5H-spiro[1,5-benzoxazepine-2,4'-pyran]-5-yl}methyl)naphthalene-2-carboxylic acid, E3 ubiquitin-protein ligase XIAP, ZINC ION
著者Lukacs, C.M, Janson, C.A.
登録日2013-05-03
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain.
J.Med.Chem., 56, 2013
3TJP
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BU of 3tjp by Molmil
Crystal Structure of PI3K gamma with N6-(3,4-dimethoxyphenyl)-2-morpholino-[4,5'-bipyrimidine]-2',6-diamine
分子名称: N~6~-(3,4-dimethoxyphenyl)-2-(morpholin-4-yl)-4,5'-bipyrimidine-2',6-diamine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Knapp, M.S, Elling, R.A, Ornelas, E.
登録日2011-08-24
公開日2012-08-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The Identification of 5-(2,4-dimorpholinopyrimidin-6-yl)-4-(trifluoromethyl)pyridin-2-amine (NVP-BKM120) as a Potent, Selective and Orally Bioavailable Class I PI3 Kinase Inhibitor for the Treatment of Cancer
To be Published
2VK1
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BU of 2vk1 by Molmil
Crystal structure of the Saccharomyces cerevisiae pyruvate decarboxylase variant D28A in complex with its substrate
分子名称: MAGNESIUM ION, PYRUVATE DECARBOXYLASE ISOZYME 1, PYRUVIC ACID, ...
著者Kutter, S, Weik, M, Weiss, M.S, Konig, S.
登録日2007-12-16
公開日2009-01-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Covalently Bound Substrate at the Regulatory Site of Yeast Pyruvate Decarboxylases Triggers Allosteric Enzyme Activation.
J.Biol.Chem., 284, 2009
2VK8
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BU of 2vk8 by Molmil
Crystal structure of the Saccharomyces cerevisiae pyruvate decarboxylase variant E477Q in complex with its substrate
分子名称: (2S)-2-HYDROXYPROPANOIC ACID, MAGNESIUM ION, PYRUVATE DECARBOXYLASE ISOZYME 1, ...
著者Kutter, S, Weik, M, Weiss, M.S, Konig, S.
登録日2007-12-17
公開日2009-01-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Covalently Bound Substrate at the Regulatory Site of Yeast Pyruvate Decarboxylases Triggers Allosteric Enzyme Activation.
J.Biol.Chem., 284, 2009
4L1D
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BU of 4l1d by Molmil
Voltage-gated sodium channel beta3 subunit Ig domain
分子名称: Sodium channel subunit beta-3
著者Namadurai, S, Weimhofer, M, Rajappa, R, Stott, K, Klingauf, J, Chirgadze, D.Y, Jackson, A.P.
登録日2013-06-03
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure and Molecular Imaging of the Nav Channel beta 3 Subunit Indicates a Trimeric Assembly.
J.Biol.Chem., 289, 2014
2BDF
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BU of 2bdf by Molmil
Src kinase in complex with inhibitor AP23451
分子名称: Proto-oncogene tyrosine-protein kinase Src, {[(4-{[2-(4-AMINOCYCLOHEXYL)-9-ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID
著者Dalgarno, D, Stehle, T, Schelling, P, Sawyer, T, Narula, S.
登録日2005-10-20
公開日2006-10-24
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis of Src tyrosine kinase inhibition with a new class of potent and selective trisubstituted purine-based compounds.
Chem.Biol.Drug Des., 67, 2006
2BDJ
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BU of 2bdj by Molmil
Src kinase in complex with inhibitor AP23464
分子名称: 3-[2-(2-CYCLOPENTYL-6-{[4-(DIMETHYLPHOSPHORYL)PHENYL]AMINO}-9H-PURIN-9-YL)ETHYL]PHENOL, Proto-oncogene tyrosine-protein kinase Src
著者Dalgarno, D, Stehle, T, Schelling, P, Narula, S, Sawyer, T.
登録日2005-10-20
公開日2006-10-24
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis of Src tyrosine kinase inhibition with a new class of potent and selective trisubstituted purine-based compounds.
Chem.Biol.Drug Des., 67, 2006
4JCO
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BU of 4jco by Molmil
1.7 A resolution structure of wild type malate dehydrogenase from haloarcula marismortui
分子名称: CHLORIDE ION, Malate dehydrogenase, SODIUM ION
著者Vellieux, F.M.D.
登録日2013-02-22
公開日2013-03-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献1.7 A resolution structure of wild type malate dehydrogenase from haloarcula marismortui
To be Published
8OGN
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BU of 8ogn by Molmil
PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry A09
分子名称: Cyclic di-AMP synthase CdaA, MAGNESIUM ION, [1,2]thiazolo[5,4-b]pyridin-3-amine
著者Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R.
登録日2023-03-20
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献CdaA in complex with fragment F2X-Entry A09
To Be Published
8OGM
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BU of 8ogm by Molmil
Crystal structure of CdaA from Bacillus subtilis
分子名称: Cyclic di-AMP synthase CdaA
著者Garbers, T.B, Neumann, P, Weiss, M.S, Wollenhaupt, J, Ficner, R.
登録日2023-03-20
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Crystal structure of CdaA from Bacillus subtilis
To Be Published
5IVD
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BU of 5ivd by Molmil
The alpha-esterase-7 carboxylesterase, E3, from the blowfly Lucilia cuprina: apo-enzyme qFit multi-conformer model
分子名称: Carboxylic ester hydrolase
著者Correy, G.J, Jackson, C.J.
登録日2016-03-20
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography.
Structure, 24, 2016
5J3N
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BU of 5j3n by Molmil
C-terminal domain of EcoR124I HsdR subunit fused with the pH-sensitive GFP variant ratiometric pHluorin
分子名称: Green fluorescent protein,HsdR
著者Grinkevich, P, Iermak, I, Luedtke, N, Mesters, J.R, Ettrich, R, Ludwig, J.
登録日2016-03-31
公開日2017-04-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structure of a novel domain of the motor subunit of the Type I restriction enzyme EcoR124 involved in complex assembly and DNA binding.
J. Biol. Chem., 293, 2018
5NXN
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BU of 5nxn by Molmil
Structure of a L5-deletion mutant of Providencia stuartii Omp-Pst1
分子名称: CALCIUM ION, Porin 1
著者El Khatib, M, Colletier, J.P.
登録日2017-05-10
公開日2018-02-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献Porin self-association enables cell-to-cell contact in
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5IVK
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BU of 5ivk by Molmil
The alpha-esterase-7 carboxylesterase, E3, from the blowfly Lucilia cuprina: phosphorylated-enzyme ensemble refinement
分子名称: Carboxylic ester hydrolase, DIETHYL HYDROGEN PHOSPHATE
著者Correy, G.J, Jackson, C.J.
登録日2016-03-21
公開日2016-06-22
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography.
Structure, 24, 2016

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件を2024-08-07に公開中

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