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4N6H
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1.8 A Structure of the human delta opioid 7TM receptor (PSI Community Target)
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol, L(+)-TARTARIC ACID, ...
著者Fenalti, G, Giguere, P.M, Katritch, V, Huang, X.-P, Thompson, A.A, Han, G.W, Cherezov, V, Roth, B.L, Stevens, R.C, GPCR Network (GPCR)
登録日2013-10-12
公開日2013-12-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular control of delta-opioid receptor signalling.
Nature, 506, 2014
4OMH
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BU of 4omh by Molmil
Crystal structure of the bacterial diterpene cyclase COTB2 variant F149L
分子名称: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Geranylgeranyl diphosphate cyclase, SODIUM ION
著者Janke, R, Goerner, C, Hirte, M, Brueck, T, Loll, B.
登録日2014-01-27
公開日2014-06-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献The first structure of a bacterial diterpene cyclase: CotB2.
Acta Crystallogr.,Sect.D, 70, 2014
1YAO
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BU of 1yao by Molmil
CONTRIBUTION OF HYDROPHOBIC RESIDUES TO THE STABILITY OF HUMAN LYSOZYME: CALORIMETRIC STUDIES AND X-RAY STRUCTURAL ANALYSIS OF THE FIVE ISOLEUCINE TO VALINE MUTANTS
分子名称: LYSOZYME, SODIUM ION
著者Yamagata, Y, Kaneda, H, Fujii, S, Takano, K, Ogasahara, K, Kanaya, E, Kikuchi, M, Oobatake, M, Yutani, K.
登録日1995-09-29
公開日1996-04-03
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Contribution of hydrophobic residues to the stability of human lysozyme: calorimetric studies and X-ray structural analysis of the five isoleucine to valine mutants.
J.Mol.Biol., 254, 1995
4NCN
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BU of 4ncn by Molmil
Crystal structure of eukaryotic translation initiation factor eIF5B (517-858) from Chaetomium thermophilum in complex with GTP
分子名称: ACETIC ACID, Eukaryotic translation initiation factor 5B-like protein, GLYCEROL, ...
著者Kuhle, B, Ficner, R.
登録日2013-10-24
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献eIF5B employs a novel domain release mechanism to catalyze ribosomal subunit joining.
Embo J., 33, 2014
4OSX
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BU of 4osx by Molmil
STRUCTURE of UNCLEAVED GLYCINE-BOUND HUMAN L-ASPARAGINASE PROTEIN
分子名称: GLYCINE, Isoaspartyl peptidase/L-asparaginase, SODIUM ION
著者Nomme, J, Lavie, A.
登録日2014-02-13
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Free Glycine Accelerates the Autoproteolytic Activation of Human Asparaginase.
Chem.Biol., 20, 2013
4OMG
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BU of 4omg by Molmil
Crystal structure of the bacterial diterpene cyclase COTB2
分子名称: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Geranylgeranyl diphosphate cyclase, SODIUM ION
著者Janke, R, Goerner, C, Hirte, M, Brueck, T, Loll, B.
登録日2014-01-27
公開日2014-06-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献The first structure of a bacterial diterpene cyclase: CotB2.
Acta Crystallogr.,Sect.D, 70, 2014
4KBF
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BU of 4kbf by Molmil
two different open conformations of the helicase core of the RNA helicase Hera
分子名称: ADENOSINE MONOPHOSPHATE, Heat resistant RNA dependent ATPase, SODIUM ION, ...
著者Rudolph, M.G, Klostermeier, D.
登録日2013-04-23
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Rearranging RNA structures at 75C? toward the molecular mechanism and physiological function of the thermus thermophilus DEAD-box helicase hera.
Biopolymers, 99, 2013
4KLD
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BU of 4kld by Molmil
DNA polymerase beta matched substrate complex with Ca2+, 0 s
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3', ...
著者Freudenthal, B.D, Beard, W.A, Shock, D.D, Wilson, S.H.
登録日2013-05-07
公開日2013-07-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.916 Å)
主引用文献Observing a DNA polymerase choose right from wrong.
Cell(Cambridge,Mass.), 154, 2013
4TMW
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BU of 4tmw by Molmil
Translation initiation factor eIF5B (517-858) from C. thermophilum, bound to GTP and Sodium
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, SODIUM ION, ...
著者Kuhle, B, Ficner, R.
登録日2014-06-02
公開日2014-09-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A monovalent cation acts as structural and catalytic cofactor in translational GTPases.
Embo J., 33, 2014
3MAX
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BU of 3max by Molmil
Crystal Structure of Human HDAC2 complexed with an N-(2-aminophenyl)benzamide
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, Histone deacetylase 2, ...
著者Skene, R.J, Jennings, A.J.
登録日2010-03-24
公開日2010-04-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Exploration of the HDAC2 foot pocket: Synthesis and SAR of substituted N-(2-aminophenyl)benzamides.
Bioorg.Med.Chem.Lett., 20, 2010
3MBY
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BU of 3mby by Molmil
Ternary complex of DNA Polymerase BETA with template base A and 8oxodGTP in the active site with a dideoxy terminated primer
分子名称: 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
著者Batra, V.K, Beard, W.A, Hou, E.W, Pedersen, L.C, Prasad, R, Wilson, S.H.
登録日2010-03-26
公開日2010-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mutagenic conformation of 8-oxo-7,8-dihydro-2'-dGTP in the confines of a DNA polymerase active site.
Nat.Struct.Mol.Biol., 17, 2010
3MAO
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BU of 3mao by Molmil
Crystal Structure of Human Methionine-R-Sulfoxide Reductase B1 (MsrB1)
分子名称: FE (III) ION, MALONATE ION, Methionine-R-sulfoxide reductase B1, ...
著者Chaikuad, A, Shafqat, N, Yue, W.W, Savitsky, P, Krojer, T, Ugochukwu, E, Muniz, J.R.C, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2010-03-24
公開日2010-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Crystal Structure of Human Methionine-R-Sulfoxide Reductase B1 (MsrB1)
To be Published
4PDR
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BU of 4pdr by Molmil
Crystal Structure of a K+ selective NaK mutant in Barium and Sodium
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, BARIUM ION, Potassium channel protein, ...
著者Lam, Y, Zeng, W, Sauer, D.B, Jiang, Y.
登録日2014-04-21
公開日2014-07-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献High Resolution Structural Views of Rubidium, Cesium and Barium Binding within a Potassium Selective Channel Filter
To Be Published
4PHE
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BU of 4phe by Molmil
Structure of human DNA polymerase beta complexed with T in the template base paired with incoming non-hydrolyzable GTP
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*CP*CP*GP*AP*CP*TP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), ...
著者Koag, M.C, Lee, S.
登録日2014-05-06
公開日2015-05-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The spontaneous base substitution mechanisms of human DNA polymerase beta
To Be Published
4NEC
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BU of 4nec by Molmil
Conversion of a Disulfide Bond into a Thioacetal Group during Echinomycin Biosynthesis
分子名称: 2-CARBOXYQUINOXALINE, ACETATE ION, Echinomycin, ...
著者Hotta, K, Keegan, R.M, Ranganathan, S, Fang, M, Bibby, J, Winn, M.D, Sato, M, Lian, M, Watanabe, K, Rigden, D.J, Kim, C.-Y.
登録日2013-10-29
公開日2014-01-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Conversion of a disulfide bond into a thioacetal group during echinomycin biosynthesis.
Angew.Chem.Int.Ed.Engl., 53, 2014
1XOE
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BU of 1xoe by Molmil
N9 Tern influenza neuraminidase complexed with (2R,4R,5R)-5-(1-Acetylamino-3-methyl-butyl-pyrrolidine-2, 4-dicarobyxylic acid 4-methyl esterdase complexed with
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-4-(METHOXYCARBONYL)PROLINE, Neuraminidase, ...
著者Wang, G.T, Wang, S, Gentles, R, Sowin, T, Maring, C.J, Kempf, D.J, Kati, W.M, Stoll, V, Stewart, K.D, Laver, G.
登録日2004-10-06
公開日2005-01-11
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design, synthesis, and structural analysis of inhibitors of influenza neuraminidase containing a 2,3-disubstituted tetrahydrofuran-5-carboxylic acid core.
Bioorg.Med.Chem.Lett., 15, 2005
4MM7
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BU of 4mm7 by Molmil
Crystal structure of LeuBAT (delta13 mutant) in complex with desvenlafaxine
分子名称: 4-[(1R)-2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol, SODIUM ION, Transporter
著者Wang, H, Gouaux, E.
登録日2013-09-08
公開日2013-10-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural basis for action by diverse antidepressants on biogenic amine transporters.
Nature, 503, 2013
4TMV
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BU of 4tmv by Molmil
Translation initiation factor eIF5B (517-858) from C. thermophilum, bound to GTPgammaS and Sodium
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Kuhle, B, Ficner, R.
登録日2014-06-02
公開日2014-09-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献A monovalent cation acts as structural and catalytic cofactor in translational GTPases.
Embo J., 33, 2014
4RQ5
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BU of 4rq5 by Molmil
Human DNA Polymerase Beta With Gapped DNA Containing an 8-oxo-7,8-dihydro-Guanine (8-oxoG)and dATP soaked with MgCl2 for 60 s
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, ACETATE ION, CHLORIDE ION, ...
著者Vyas, R, Suo, Z.
登録日2014-10-31
公開日2015-04-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Viewing Human DNA Polymerase beta Faithfully and Unfaithfully Bypass an Oxidative Lesion by Time-Dependent Crystallography.
J.Am.Chem.Soc., 137, 2015
4NM1
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BU of 4nm1 by Molmil
Structure of human DNA polymerase beta complexed with a nicked DNA containing a 8BrG-C at N-1 position and G-C at N position
分子名称: 5'-D(*CP*CP*GP*AP*CP*GP*(BGM)P*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ...
著者Koag, M.-C, Min, K, Monzingo, A.F, Lee, S.
登録日2013-11-14
公開日2014-01-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.415 Å)
主引用文献Structural basis for promutagenicity of 8-halogenated Guanine.
J.Biol.Chem., 289, 2014
4NM2
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BU of 4nm2 by Molmil
Structure of human DNA polymerase beta complexed with a nicked DNA containing a 8BrG-G at N-1 position and G-C at N position
分子名称: 5'-D(*CP*CP*GP*AP*CP*GP*(BGM)P*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*GP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ...
著者Koag, M.-C, Min, K, Monzingo, A.F, Lee, S.
登録日2013-11-14
公開日2014-01-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.524 Å)
主引用文献Structural basis for promutagenicity of 8-halogenated Guanine.
J.Biol.Chem., 289, 2014
4PPX
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BU of 4ppx by Molmil
DNA Polymerase Beta E295K with Spiroiminodihydantoin in Templating Position
分子名称: 5'-D(*CP*CP*GP*AP*CP*(SDH)P*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3', 5'-D(*GP*TP*CP*GP*G)-3', ...
著者Eckenroth, B.E, Doublie, S.
登録日2014-02-27
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Crystal Structure of DNA Polymerase beta with DNA Containing the Base Lesion Spiroiminodihydantoin in a Templating Position.
Biochemistry, 53, 2014
4PH5
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BU of 4ph5 by Molmil
Structure of human DNA polymerase beta complexed with a nicked DNA containing a AC at N-1 position and GC at N position
分子名称: DNA (5'-D(*CP*CP*GP*AP*CP*GP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
著者Koag, M.C, Lee, S.
登録日2014-05-04
公開日2015-05-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献The spontaneous base substitution mechanisms of human DNA polymerase beta
To Be Published
4PHD
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BU of 4phd by Molmil
Structure of human DNA polymerase beta complexed with A in the template base paired with incoming non-hydrolyzable CTP and MANGANESE
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*CP*CP*GP*AP*CP*AP*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), ...
著者Koag, M.C, Lee, S.
登録日2014-05-06
公開日2014-09-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献The spontaneous replication error and the mismatch discrimination mechanisms of human DNA polymerase beta.
Nucleic Acids Res., 42, 2015
3P8O
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BU of 3p8o by Molmil
Crystal structure of HCV NS3/NS4A protease complexed with des-bromine analogue of BI 201335
分子名称: HCV non-structural protein 4A, HCV serine protease NS3, N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-L-prolinamide, ...
著者Lemke, C.T.
登録日2010-10-14
公開日2011-01-26
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Combined X-ray, NMR, and kinetic analyses reveal uncommon binding characteristics of the hepatitis C virus NS3-NS4A protease inhibitor BI 201335.
J.Biol.Chem., 286, 2011

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