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8BHO
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BU of 8bho by Molmil
GABA-A receptor a5 homomer - a5V3 - L655708
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-5, ethyl (7~{S})-15-methoxy-12-oxidanylidene-2,4,11-triazatetracyclo[11.4.0.0^{2,6}.0^{7,11}]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate
著者Miller, P.S, Malinauskas, T.M, Hardwick, S.W, Chirgadze, D.Y.
登録日2022-10-31
公開日2023-11-01
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors.
Nat.Struct.Mol.Biol., 30, 2023
5C4A
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BU of 5c4a by Molmil
Crystal structure of a transcribing RNA Polymerase II complex reveals a complete transcription bubble
分子名称: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ...
著者Barnes, C.O, Calero, M, Malik, I, Saphr, H, Zhang, Q, Pullara, F, Kaplan, C.D, Calero, G.
登録日2015-06-17
公開日2015-08-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献Crystal Structure of a Transcribing RNA Polymerase II Complex Reveals a Complete Transcription Bubble.
Mol.Cell, 59, 2015
8BG3
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BU of 8bg3 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with pT1610 scFV
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, pT1610 single-chain Fv
著者Hansen, G, Ssebyatika, G.L, Krey, T.
登録日2022-10-27
公開日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Activity of broadly neutralizing antibodies against sarbecoviruses: a trade-off between SARS-CoV-2 variants and distant coronaviruses?
To be published
3OON
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BU of 3oon by Molmil
The structure of an outer membrance protein from Borrelia burgdorferi B31
分子名称: Outer membrane protein (Tpn50), SULFATE ION
著者Fan, Y, Bigelow, L, Feldman, B, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2010-08-31
公開日2010-09-22
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Insights into PG-binding, conformational change, and dimerization of the OmpA C-terminal domains from Salmonella enterica serovar Typhimurium and Borrelia burgdorferi.
Protein Sci., 26, 2017
3ZVY
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BU of 3zvy by Molmil
PHD finger of human UHRF1 in complex with unmodified histone H3 N- terminal tail
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, E3 UBIQUITIN-PROTEIN LIGASE UHRF1, ...
著者Lallous, N, Birck, C, Mc Ewen, A.G, Legrand, P, Samama, J.P.
登録日2011-07-28
公開日2011-12-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The Phd Finger of Human Uhrf1 Reveals a New Subgroup of Unmethylated Histone H3 Tail Readers.
Plos One, 6, 2011
8BG5
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BU of 8bg5 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with pT1631 scFV
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, pT1631 single-chain Fv
著者Hansen, G, Ssebyatika, G.L, Krey, T.
登録日2022-10-27
公開日2023-11-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Activity of broadly neutralizing antibodies against sarbecoviruses: a trade-off between SARS-CoV-2 variants and distant coronaviruses?
To be published
4JSS
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BU of 4jss by Molmil
Human carbonic anhydrase II H94D bound to a bidentate inhibitor
分子名称: 1-hydroxy-2-sulfanylpyridinium, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
著者Martin, D.P, Hann, Z.S, Cohen, S.M.
登録日2013-03-22
公開日2013-06-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Metalloprotein-Inhibitor Binding: Human Carbonic Anhydrase II as a Model for Probing Metal-Ligand Interactions in a Metalloprotein Active Site.
Inorg.Chem., 52, 2013
6BYD
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BU of 6byd by Molmil
Crystal structure of the second StART domain of yeast Lam4
分子名称: Membrane-anchored lipid-binding protein LAM4
著者Jentsch, J.A, Kiburu, I.N, Wu, J, Pandey, K, Boudker, O, Menon, A.K.
登録日2017-12-20
公開日2018-01-31
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.195 Å)
主引用文献Structural basis of sterol binding and transport by a yeast StARkin domain.
J. Biol. Chem., 293, 2018
8BHG
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BU of 8bhg by Molmil
GABA-A receptor a5 heteromer - a5V2 - Bretazenil
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Bretazenil, DECYL-BETA-D-MALTOPYRANOSIDE, ...
著者Miller, P.S, Malinauskas, T.M, Omari, K.E, Aricescu, A.R.
登録日2022-10-31
公開日2023-11-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors.
Nat.Struct.Mol.Biol., 30, 2023
3OTQ
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BU of 3otq by Molmil
Soluble Epoxide Hydrolase in complex with pyrazole antagonist
分子名称: Epoxide hydrolase 2, N-[4-(5-ethyl-3-pyridin-3-yl-1H-pyrazol-1-yl)phenyl]pyridine-3-carboxamide
著者Farrow, N.A.
登録日2010-09-13
公開日2010-10-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Substituted pyrazoles as novel sEH antagonist: investigation of key binding interactions within the catalytic domain.
Bioorg.Med.Chem.Lett., 20, 2010
3OTX
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BU of 3otx by Molmil
Crystal Structure of Trypanosoma brucei rhodesiense Adenosine Kinase Complexed with Inhibitor AP5A
分子名称: Adenosine kinase, putative, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, ...
著者Kuettel, S, Greenwald, J, Kostrewa, D, Ahmed, S, Scapozza, L, Perozzo, R.
登録日2010-09-14
公開日2011-06-29
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal Structures of T. b. rhodesiense Adenosine Kinase Complexed with Inhibitor and Activator: Implications for Catalysis and Hyperactivation
Plos Negl Trop Dis, 5, 2011
8BE3
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BU of 8be3 by Molmil
Crystal structure of KRasG12V-Nanobody84
分子名称: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION, ...
著者Fischer, B, Wohlkonig, A, Steyaert, J.
登録日2022-10-21
公開日2023-11-01
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Allosteric nanobodies to study the interactions between SOS1 and RAS.
Nat Commun, 15, 2024
3ZY2
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BU of 3zy2 by Molmil
Crystal structure of POFUT1 in complex with GDP (High resolution dataset)
分子名称: GUANOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, PUTATIVE GDP-FUCOSE PROTEIN O-FUCOSYLTRANSFERASE 1
著者Lira-Navarrete, E, Valero-Gonzalez, J, Villanueva, R, Martinez-Julvez, M, Tejero, T, Merino, P, Panjikar, S, Hurtado-Guerrero, R.
登録日2011-08-17
公開日2011-09-14
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Structural Insights Into the Mechanism of Protein O-Fucosylation.
Plos One, 6, 2011
3DD8
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BU of 3dd8 by Molmil
Carbonic anhydrase inhibitors. Interaction of the antitumor sulfamate EMD-486019 with twelve mammalian isoforms: kinetic and X-Ray crystallographic studies
分子名称: 2-(cycloheptylmethyl)-1,1-dioxido-1-benzothiophen-6-yl sulfamate, Carbonic anhydrase 2, MERCURY (II) ION, ...
著者Temperini, C, Innocenti, A, Scozzafava, A, Supuran, C.T.
登録日2008-06-05
公開日2008-08-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Carbonic anhydrase inhibitors. Interaction of the antitumor sulfamate EMD 486019 with twelve mammalian carbonic anhydrase isoforms: Kinetic and X-ray crystallographic studies
Bioorg.Med.Chem.Lett., 18, 2008
3DDS
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BU of 3dds by Molmil
Crystal structure of glycogen phosphorylase complexed with an anthranilimide based inhibitor GSK261
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CAFFEINE, ...
著者Nolte, R.T.
登録日2008-06-06
公開日2009-01-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Anthranilimide based glycogen phosphorylase inhibitors for the treatment of type 2 diabetes. Part 3: X-ray crystallographic characterization, core and urea optimization and in vivo efficacy.
Bioorg.Med.Chem.Lett., 19, 2009
6N7E
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BU of 6n7e by Molmil
Crystal structure of the cytosolic domain of human CNNM2 in complex with AMP-PNP and Mg2+
分子名称: MAGNESIUM ION, Metal transporter CNNM2,Metal transporter CNNM2, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Chen, Y.S, Gehring, K.
登録日2018-11-27
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Mg2+-ATP Sensing in CNNM, a Putative Magnesium Transporter.
Structure, 28, 2020
8BGI
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BU of 8bgi by Molmil
GABA-A receptor a5 homomer - a5V1 - Flumazenil
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-5, Pregnanolone, ...
著者Miller, P.S, Malinauskas, T.M, Omari, K.E, Aricescu, A.R.
登録日2022-10-27
公開日2023-11-08
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors.
Nat.Struct.Mol.Biol., 30, 2023
6C7X
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BU of 6c7x by Molmil
Carbonic anhydrase 2 in complex with 2-chloro-5'-O-sulfamoyladenosine
分子名称: 2-chloro-5'-O-sulfamoyladenosine, Carbonic anhydrase 2, SODIUM ION, ...
著者Peat, T.S, Mujumdar, P, Poulsen, S.A.
登録日2018-01-23
公開日2018-05-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Synthesis, structure and bioactivity of primary sulfamate-containing natural products.
Bioorg. Med. Chem. Lett., 28, 2018
8BPD
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BU of 8bpd by Molmil
Structural and Functional Characterization of the Novel Endo-alpha(1,4)-Fucoidanase Mef1 from the Marine Bacterium Muricauda eckloniae
分子名称: (2S)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Mikkelsen, M.D, Meyer, A.S, Morth, J.P.
登録日2022-11-16
公開日2023-11-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and functional characterization of the novel endo-alpha (1,4)-fucoidanase Mef1 from the marine bacterium Muricauda eckloniae.
Acta Crystallogr D Struct Biol, 79, 2023
4MFF
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BU of 4mff by Molmil
Structure of human DNA polymerase beta complexed with O6MG in the template base paired with incoming non-hydrolyzable TTP
分子名称: 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine, DNA polymerase beta, MAGNESIUM ION, ...
著者Koag, M.C, Min, K, Monzingo, A.F, Lee, S.
登録日2013-08-27
公開日2014-04-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Metal-dependent conformational activation explains highly promutagenic replication across O6-methylguanine by human DNA polymerase beta.
J.Am.Chem.Soc., 136, 2014
8BG4
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BU of 8bg4 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with pT1611 scFV
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, pT1611 single-chain Fv
著者Hansen, G, Ssebyatika, G.L, Krey, T.
登録日2022-10-27
公開日2023-11-08
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Activity of broadly neutralizing antibodies against sarbecoviruses: a trade-off between SARS-CoV-2 variants and distant coronaviruses?
To be published
8BIY
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BU of 8biy by Molmil
Citrate-free extracytoplasmic PAS domain mutant R93A of sensor histidine kinase CitA from Geobacillus thermodenitrificans
分子名称: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, GLYCEROL, Histidine kinase, ...
著者Becker, S.
登録日2022-11-02
公開日2023-11-15
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Citrate-free extracytoplasmic PAS domain mutant R93A of sensor histidine kinase CitA from Geobacillus thermodenitrificans
To Be Published
6C3O
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BU of 6c3o by Molmil
Cryo-EM structure of human KATP bound to ATP and ADP in quatrefoil form
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 8, ...
著者Lee, K.P.K, Chen, J, MacKinnon, R.
登録日2018-01-10
公開日2018-01-31
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Molecular structure of human KATP in complex with ATP and ADP
Elife, 6, 2017
8BQ1
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BU of 8bq1 by Molmil
Herpes simplex virus type 1 protease
分子名称: Assemblin, GLYCEROL
著者Pachota, M, Grzywa, R, Plewka, J, Wilk, P, Mackereth, C, Czarna, A, Sienczyk, M, Pyrc, K.
登録日2022-11-18
公開日2023-11-29
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Herpes simplex virus type 1 protease
To Be Published
8BJ0
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BU of 8bj0 by Molmil
Crystal structure of Scribble PDZ1 with PTHR
分子名称: CHLORIDE ION, Parathyroid hormone/parathyroid hormone-related peptide receptor, Protein scribble homolog
著者Stewart, B.Z, Kvansakul, M.
登録日2022-11-03
公開日2023-11-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of Scribble PDZ1 with human papillomavirus strain 16 E6 peptide
To Be Published

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件を2024-11-13に公開中

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