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7NLE
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BU of 7nle by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-118
分子名称: 14-3-3 protein sigma, 4-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-02-22
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7NLA
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BU of 7nla by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-119
分子名称: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-02-22
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7NM9
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BU of 7nm9 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-110
分子名称: 14-3-3 protein sigma, 6-(2-bromanylimidazol-1-yl)pyridine-3-carbaldehyde, DI(HYDROXYETHYL)ETHER, ...
著者Wolter, M, Ottmann, C.
登録日2021-02-23
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7NJ9
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BU of 7nj9 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-133
分子名称: 14-3-3 protein sigma, 4-(3,4-dihydro-2~{H}-quinolin-1-ylsulfonyl)benzaldehyde, DI(HYDROXYETHYL)ETHER, ...
著者Wolter, M, Ottmann, C.
登録日2021-02-16
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7NJB
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BU of 7njb by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-132
分子名称: 14-3-3 protein sigma, 4-piperidin-1-ylsulfonylbenzaldehyde, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-02-16
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7NK3
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BU of 7nk3 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-128
分子名称: 14-3-3 protein sigma, 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1~{H}-isoquinoline, CALCIUM ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-02-17
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
5J2M
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BU of 5j2m by Molmil
HIV-1 reverse transcriptase in complex with DNA and EFdA-triphosphate, a translocation-defective RT inhibitor
分子名称: 2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(tetrahydrogen triphosphate), DNA (27-MER), DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*G)-3'), ...
著者Salie, Z.L, Kirby, K.A, Sarafianos, S.G.
登録日2016-03-29
公開日2016-08-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.432 Å)
主引用文献Structural basis of HIV inhibition by translocation-defective RT inhibitor 4'-ethynyl-2-fluoro-2'-deoxyadenosine (EFdA).
Proc.Natl.Acad.Sci.USA, 113, 2016
6YRN
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BU of 6yrn by Molmil
Structure of the Chlamydomonas reinhardtii SAS-6 coiled-coil domain, P2 crystal form
分子名称: Centriole protein, TETRAETHYLENE GLYCOL
著者Kantsadi, A.L, Vakonakis, I.
登録日2020-04-20
公開日2021-05-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structures of SAS-6 coiled coil hold implications for the polarity of the centriolar cartwheel.
Structure, 2022
5IS6
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BU of 5is6 by Molmil
Crystal structure of mouse CARM1 in complex with Sinefungin at 2.0 Angstroms resolution
分子名称: 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
著者Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J.
登録日2016-03-15
公開日2017-03-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.007 Å)
主引用文献Crystal structure of mouse CARM1 in complex with Sinefungin at 2.0 Angstroms resolution
To Be Published
5ISA
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BU of 5isa by Molmil
Crystal structure of mouse CARM1 in complex with inhibitor SA0401
分子名称: (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azidopropyl)amino]-2-azanyl-butanoic acid, 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, ...
著者Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J.
登録日2016-03-15
公開日2017-03-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of mouse CARM1 in complex with inhibitor SA0401
To Be Published
5JS6
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BU of 5js6 by Molmil
Crystal structure of 17beta-hydroxysteroid dehydrogenase 14 T205 variant in complex with NAD.
分子名称: 17-beta-hydroxysteroid dehydrogenase 14, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Bertoletti, N, Marchais-Oberwinkler, S, Heine, A, Klebe, G.
登録日2016-05-07
公開日2016-07-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献New Insights into Human 17 beta-Hydroxysteroid Dehydrogenase Type 14: First Crystal Structures in Complex with a Steroidal Ligand and with a Potent Nonsteroidal Inhibitor.
J.Med.Chem., 59, 2016
7NWU
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BU of 7nwu by Molmil
Co-crystal structure of UPF3B-RRM-NOPS-L with UPF2-MIF4GIII
分子名称: PENTAETHYLENE GLYCOL, Regulator of nonsense transcripts 2, Regulator of nonsense transcripts 3B, ...
著者Powers, K.T, Bufton, J.C, Szeto, J.A, Schaffitzel, C.
登録日2021-03-17
公開日2022-07-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structures of nonsense-mediated mRNA decay factors UPF3B and UPF3A in complex with UPF2 reveal molecular basis for competitive binding and for neurodevelopmental disorder-causing mutation.
Nucleic Acids Res., 50, 2022
6ZHW
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BU of 6zhw by Molmil
Ultrafast Structural Response to Charge Redistribution Within a Photosynthetic Reaction Centre - 1 ps structure
分子名称: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
著者Baath, P, Dods, R, Branden, G, Neutze, R.
登録日2020-06-23
公開日2020-12-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Ultrafast structural changes within a photosynthetic reaction centre.
Nature, 589, 2021
6ZI6
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BU of 6zi6 by Molmil
Ultrafast Structural Response to Charge Redistribution Within a Photosynthetic Reaction Centre - 20 ps structure
分子名称: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
著者Baath, P, Dods, R, Braenden, G, Neutze, R.
登録日2020-06-24
公開日2020-12-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Ultrafast structural changes within a photosynthetic reaction centre.
Nature, 589, 2021
6CXF
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BU of 6cxf by Molmil
Structure of alpha-GSA[26,P5p] bound by CD1d and in complex with the Va14Vb8.2 TCR
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, Beta-2-microglobulin, ...
著者Wang, J, Zajonc, D.
登録日2018-04-02
公開日2019-04-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides.
J.Biol.Chem., 294, 2019
6ZI9
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BU of 6zi9 by Molmil
Ultrafast Structural Response to Charge Redistribution Within a Photosynthetic Reaction Centre - 300 ps (b) structure
分子名称: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
著者Baath, P, Dods, R, Braenden, G, Neutze, R.
登録日2020-06-25
公開日2020-12-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Ultrafast structural changes within a photosynthetic reaction centre.
Nature, 589, 2021
2Q69
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BU of 2q69 by Molmil
Crystal Structure of Nak channel D66N mutant
分子名称: CALCIUM ION, Potassium channel protein, SODIUM ION
著者Alam, A, Shi, N, Jiang, Y.
登録日2007-06-04
公開日2007-10-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural insight into Ca2+ specificity in tetrameric cation channels.
Proc.Natl.Acad.Sci.Usa, 104, 2007
5K59
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BU of 5k59 by Molmil
Crystal structure of LukGH from Staphylococcus aureus in complex with a neutralising antibody
分子名称: CHLORIDE ION, Fab heavy chain, Fab light chain, ...
著者Welin, M, Logan, D.T, Badarau, A, Mirkina, I, Zauner, G, Dolezilkova, I, Nagy, E.
登録日2016-05-23
公開日2016-08-10
最終更新日2018-01-17
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Context matters: The importance of dimerization-induced conformation of the LukGH leukocidin of Staphylococcus aureus for the generation of neutralizing antibodies.
Mabs, 8, 2016
3RQ2
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BU of 3rq2 by Molmil
Crystal Structure of ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Bacillus subtilis co-crystallized with ATP/Mg2+ and soaked with NADH
分子名称: ADENOSINE MONOPHOSPHATE, ADP/ATP-dependent NAD(P)H-hydrate dehydratase, BETA-6-HYDROXY-1,4,5,6-TETRHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
著者Shumilin, I.A, Cymborowski, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
登録日2011-04-27
公開日2011-07-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
5K8W
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BU of 5k8w by Molmil
Crystal structure of mouse CARM1 in complex with inhibitor U2
分子名称: 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 9-(7-{[amino(iminio)methyl]amino}-5,6,7-trideoxy-beta-D-ribo-heptofuranosyl)-9H-purin-6-amine, ...
著者Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J.
登録日2016-05-31
公開日2017-06-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of mouse CARM1 in complex with inhibitor U2
To Be Published
6CUG
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BU of 6cug by Molmil
Crystal structure of BC8B TCR-CD1b-PC complex
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ...
著者Shahine, A.E, Rossjohn, J.
登録日2018-03-26
公開日2019-01-16
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A T-cell receptor escape channel allows broad T-cell response to CD1b and membrane phospholipids.
Nat Commun, 10, 2019
2Q6A
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BU of 2q6a by Molmil
Crystal Structure of Nak channel D66E mutant
分子名称: CALCIUM ION, Potassium channel protein, SODIUM ION
著者Alam, A, Shi, N, Jiang, Y.
登録日2007-06-04
公開日2007-10-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural insight into Ca2+ specificity in tetrameric cation channels.
Proc.Natl.Acad.Sci.Usa, 104, 2007
6CX7
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BU of 6cx7 by Molmil
Structure of alpha-GSA[12,6P] bound by CD1d and in complex with the Va14Vb8.2 TCR
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ...
著者Wang, J, Zajonc, D.
登録日2018-04-02
公開日2019-04-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides.
J.Biol.Chem., 294, 2019
2Q68
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BU of 2q68 by Molmil
Crystal Structure of Nak channel D66A, S70E double mutants
分子名称: CALCIUM ION, Potassium channel protein, SODIUM ION
著者Alam, A, Shi, N, Jiang, Y.
登録日2007-06-04
公開日2007-10-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural insight into Ca2+ specificity in tetrameric cation channels.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2Q67
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BU of 2q67 by Molmil
Crystal Structure of Nak channel D66A mutant
分子名称: CALCIUM ION, Potassium channel protein, SODIUM ION
著者Alam, A, Shi, N, Jiang, Y.
登録日2007-06-04
公開日2007-10-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural insight into Ca2+ specificity in tetrameric cation channels.
Proc.Natl.Acad.Sci.Usa, 104, 2007

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