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2PVO
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BU of 2pvo by Molmil
Crystal srtucture of the ternary complex between thioredoxin f, ferredoxin, and ferredoxin: thioredoxin reductase
分子名称: FE2/S2 (INORGANIC) CLUSTER, Ferredoxin-1, Ferredoxin-thioredoxin reductase, ...
著者Dai, S.
登録日2007-05-09
公開日2007-07-10
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structural snapshots along the reaction pathway of ferredoxin-thioredoxin reductase.
Nature, 448, 2007
3OLF
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BU of 3olf by Molmil
Crystal structure of human FXR in complex with 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-methylbenzoic acid
分子名称: 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-methylbenzoic acid, Bile acid receptor, peptide of Nuclear receptor coactivator 1
著者Rudolph, M.G.
登録日2010-08-26
公開日2011-01-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Optimization of a novel class of benzimidazole-based farnesoid X receptor (FXR) agonists to improve physicochemical and ADME properties
Bioorg.Med.Chem.Lett., 21, 2011
4RMW
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BU of 4rmw by Molmil
Crystal structure of the D76A Beta-2 Microglobulin mutant
分子名称: ACETATE ION, Beta-2-microglobulin, TRIETHYLENE GLYCOL
著者de Rosa, M, Bolognesi, M, Ricagno, S.
登録日2014-10-22
公開日2015-11-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Conformational dynamics in crystals reveal the molecular bases for D76N beta-2 microglobulin aggregation propensity.
Nat Commun, 9, 2018
4RMU
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BU of 4rmu by Molmil
Crystal structure of the D76E Beta-2 Microglobulin mutant
分子名称: Beta-2-microglobulin, TRIETHYLENE GLYCOL
著者de Rosa, M, Bolognesi, M, Ricagno, S.
登録日2014-10-22
公開日2015-11-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Conformational dynamics in crystals reveal the molecular bases for D76N beta-2 microglobulin aggregation propensity.
Nat Commun, 9, 2018
2PU9
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BU of 2pu9 by Molmil
Crystal srtucture of the binary complex between ferredoxin: thioredoxin reductase and thioredoxin f
分子名称: Ferredoxin-thioredoxin reductase, catalytic chain, variable chain, ...
著者Dai, S.
登録日2007-05-09
公開日2007-07-10
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural snapshots along the reaction pathway of ferredoxin-thioredoxin reductase.
Nature, 448, 2007
4RMV
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BU of 4rmv by Molmil
Crystal structure of the D76H Beta-2 Microglobulin mutant
分子名称: ACETATE ION, Beta-2-microglobulin, TRIETHYLENE GLYCOL
著者de Rosa, M, Bolognesi, M, Ricagno, S.
登録日2014-10-22
公開日2015-11-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.463 Å)
主引用文献Conformational dynamics in crystals reveal the molecular bases for D76N beta-2 microglobulin aggregation propensity.
Nat Commun, 9, 2018
2QA1
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BU of 2qa1 by Molmil
Crystal structure of PgaE, an aromatic hydroxylase involved in angucycline biosynthesis
分子名称: 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Koskiniemi, H, Dobritzsch, D, Metsa-Ketela, M, Kallio, P, Niemi, J, Schneider, G.
登録日2007-06-14
公開日2007-08-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of two aromatic hydroxylases involved in the early tailoring steps of angucycline biosynthesis
J.Mol.Biol., 372, 2007
2QA2
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BU of 2qa2 by Molmil
Crystal structure of CabE, an aromatic hydroxylase from angucycline biosynthesis, determined to 2.7 A resolution
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Polyketide oxygenase CabE
著者Koskiniemi, H, Dobritzsch, D, Metsa-Ketela, M, Kallio, P, Niemi, J, Schneider, G.
登録日2007-06-14
公開日2007-08-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structures of two aromatic hydroxylases involved in the early tailoring steps of angucycline biosynthesis
J.Mol.Biol., 372, 2007
3GK8
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BU of 3gk8 by Molmil
X-ray crystal structure of the Fab from MAb 14, mouse antibody against Canine Parvovirus
分子名称: Fab 14 Heavy Chain, Fab 14 Light Chain
著者Hafenstein, S, Bowman, V, Sun, T, Nelson, C, Palermo, L, Chipman, P, Battisti, A, Parrish, C.
登録日2009-03-10
公開日2009-06-16
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural comparison of different antibodies interacting with parvovirus capsids.
J.Virol., 83, 2009
6OAC
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BU of 6oac by Molmil
PQR530 [(S)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine] bound to the PI3Ka catalytic subunit p110alpha
分子名称: 4-(difluoromethyl)-5-{4-[(3S)-3-methylmorpholin-4-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}pyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Burke, J.E, McPhail, J.A.
登録日2019-03-15
公開日2019-06-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献(S)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine (PQR530), a Potent, Orally Bioavailable, and Brain-Penetrable Dual Inhibitor of Class I PI3K and mTOR Kinase.
J.Med.Chem., 62, 2019
5IQY
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BU of 5iqy by Molmil
Structure of apo-Dehydroascorbate Reductase from Pennisetum Glaucum phased by Iodide-SAD method
分子名称: Dehydroascorbate reductase, IODIDE ION
著者Das, B.K, Kumar, A, Manidola, P, Arockiasamy, A.
登録日2016-03-11
公開日2016-05-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Non-native ligands define the active site of Pennisetum glaucum (L.) R. Br dehydroascorbate reductase
Biochem.Biophys.Res.Commun., 473, 2016
1XDS
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BU of 1xds by Molmil
Crystal structure of Aclacinomycin-10-hydroxylase (RdmB) in complex with S-adenosyl-L-methionine (SAM) and 11-deoxy-beta-rhodomycin (DbrA)
分子名称: 11-DEOXY-BETA-RHODOMYCIN, Protein RdmB, S-ADENOSYLMETHIONINE
著者Jansson, A, Koskiniemi, H, Erola, A, Wang, J, Mantsala, P, Schneider, G, Niemi, J, Structural Proteomics in Europe (SPINE)
登録日2004-09-08
公開日2004-11-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Aclacinomycin 10-Hydroxylase Is a Novel Substrate-assisted Hydroxylase Requiring S-Adenosyl-L-methionine as Cofactor
J.Biol.Chem., 280, 2005
1XDU
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BU of 1xdu by Molmil
Crystal structure of Aclacinomycin-10-hydroxylase (RdmB) in complex with Sinefungin (SFG)
分子名称: ACETATE ION, Protein RdmB, SINEFUNGIN
著者Jansson, A, Koskiniemi, H, Erola, A, Wang, J, Mantsala, P, Schneider, G, Niemi, J.
登録日2004-09-08
公開日2004-11-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Aclacinomycin 10-Hydroxylase Is a Novel Substrate-assisted Hydroxylase Requiring S-Adenosyl-L-methionine as Cofactor
J.Biol.Chem., 280, 2005
6H1H
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BU of 6h1h by Molmil
Crystal structure of human Pirin in complex with compound 7 (PLX4720)
分子名称: 1,2-ETHANEDIOL, FE (III) ION, GLYCEROL, ...
著者Ali, S, Le Bihan, Y.V, van Montfort, R.L.M.
登録日2018-07-11
公開日2018-11-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Privileged Structures and Polypharmacology within and between Protein Families.
ACS Med Chem Lett, 9, 2018
7ORB
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BU of 7orb by Molmil
Crystal structure of the L452R mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-75 and COVOX-253 Fabs
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhou, D, Ren, J, Stuart, D.I.
登録日2021-06-04
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Reduced neutralization of SARS-CoV-2 B.1.617 by vaccine and convalescent serum.
Cell, 184, 2021
7OR9
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BU of 7or9 by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and COVOX-278 Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-222 Fab heavy chain, ...
著者Zhou, D, Ren, J, Stuart, D.I.
登録日2021-06-04
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Reduced neutralization of SARS-CoV-2 B.1.617 by vaccine and convalescent serum.
Cell, 184, 2021
7ORA
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BU of 7ora by Molmil
Crystal structure of the T478K mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-45 and COVOX-253 Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-253 Fab heavy chain, ...
著者Zhou, D, Ren, J, Stuart, D.I.
登録日2021-06-04
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Reduced neutralization of SARS-CoV-2 B.1.617 by vaccine and convalescent serum.
Cell, 184, 2021
1JJI
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BU of 1jji by Molmil
The Crystal Structure of a Hyper-thermophilic Carboxylesterase from the Archaeon Archaeoglobus fulgidus
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Carboxylesterase
著者De Simone, G, Menchise, V, Manco, G, Mandrich, L, Sorrentino, N, Lang, D, Rossi, M, Pedone, C.
登録日2001-07-06
公開日2001-12-05
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The crystal structure of a hyper-thermophilic carboxylesterase from the archaeon Archaeoglobus fulgidus.
J.Mol.Biol., 314, 2001
6H1I
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BU of 6h1i by Molmil
Crystal structure of human Pirin in complex with bisamide compound 2
分子名称: FE (III) ION, GLYCEROL, Pirin, ...
著者Ali, S, Le Bihan, Y.V, van Montfort, R.L.M.
登録日2018-07-11
公開日2018-11-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Privileged Structures and Polypharmacology within and between Protein Families.
ACS Med Chem Lett, 9, 2018
1Y0O
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BU of 1y0o by Molmil
crystal structure of reduced AtFKBP13
分子名称: FKBP-type peptidyl-prolyl cis-trans isomerase 3
著者Gayathri, G, Swaminathan, K.
登録日2004-11-15
公開日2005-11-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal structure of reduced AtFKBP13
to be published
1ZHB
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BU of 1zhb by Molmil
Crystal Structure Of The Murine Class I Major Histocompatibility Complex Of H-2Db, B2-Microglobulin, and a 9-Residue Peptide Derived from rat dopamine beta-monooxigenase
分子名称: 9-mer peptide from Dopamine beta-monooxygenase, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ...
著者Sandalova, T, Michaelsson, J, Harris, R.A, Odeberg, J, Schneider, G, Karre, K, Achour, A.
登録日2005-04-25
公開日2005-06-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A structural basis for CD8+ T cell-dependent recognition of non-homologous peptide ligands: implications for molecular mimicry in autoreactivity
J.Biol.Chem., 280, 2005
3U0N
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BU of 3u0n by Molmil
Crystal structure of the engineered fluorescent protein mRuby, crystal form 2
分子名称: SULFATE ION, mRuby
著者Akerboom, J, Looger, L.L, Schreiter, E.R.
登録日2011-09-28
公開日2012-10-03
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Genetically encoded calcium indicators for multi-color neural activity imaging and combination with optogenetics.
Front Mol Neurosci, 6, 2013
3U0K
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BU of 3u0k by Molmil
Crystal Structure of the genetically encoded calcium indicator RCaMP
分子名称: ACETATE ION, CALCIUM ION, RCaMP
著者Akerboom, J, Looger, L.L, Schreiter, E.R.
登録日2011-09-28
公開日2012-10-03
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Genetically encoded calcium indicators for multi-color neural activity imaging and combination with optogenetics.
Front Mol Neurosci, 6, 2013
7NA6
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BU of 7na6 by Molmil
Cryo-EM structure of AAV True Type
分子名称: Capsid protein VP1
著者Bennett, A.D, McKenna, R.
登録日2021-06-19
公開日2021-09-29
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Comparative structural, biophysical, and receptor binding study of true type and wild type AAV2.
J.Struct.Biol., 213, 2021
6USY
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BU of 6usy by Molmil
COAGULATION FACTOR XI CATALYTIC DOMAIN (C123S) IN COMPLEX WITH NVP-XIV936
分子名称: 1-[(2S)-2-{3-[(3S)-3-amino-2,3-dihydro-1-benzofuran-5-yl]-5-(propan-2-yl)phenyl}-2-hydroxyethyl]-1H-indole-7-carboxylic acid, Coagulation factor XIa light chain
著者Weihofen, W.A, Clark, K, Nunes, S.
登録日2019-10-28
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach.
J.Med.Chem., 63, 2020

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件を2024-09-04に公開中

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