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4LVZ
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BU of 4lvz by Molmil
Structure of the THF riboswitch bound to 2,6-diaminopurine
分子名称: 9H-PURINE-2,6-DIAMINE, THF riboswitch
著者Trausch, J.J, Batey, R.T.
登録日2013-07-26
公開日2014-03-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献A Disconnect between High-Affinity Binding and Efficient Regulation by Antifolates and Purines in the Tetrahydrofolate Riboswitch.
Chem.Biol., 21, 2014
4MHH
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BU of 4mhh by Molmil
Crystal structure of Fab H5M9 in complex with influenza virus hemagglutinin from A/Viet Nam/1203/2004 (H5N1)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, H5M9 antibody, ...
著者Zhu, X, Wilson, I.A.
登録日2013-08-29
公開日2013-10-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.564 Å)
主引用文献A Unique and Conserved Neutralization Epitope in H5N1 Influenza Viruses Identified by an Antibody against the A/Goose/Guangdong/1/96 Hemagglutinin.
J.Virol., 87, 2013
4LRD
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BU of 4lrd by Molmil
Phosphopentomutase 4H11 variant
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, MANGANESE (II) ION, ...
著者Birmingham, W.A, Starbird, C.A, Panosian, T.D, Nannemann, D.P, Iverson, T.M, Bachmann, B.O.
登録日2013-07-19
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Bioretrosynthetic construction of a didanosine biosynthetic pathway.
Nat.Chem.Biol., 10, 2014
4LVY
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BU of 4lvy by Molmil
Structure of the THF riboswitch bound to pemetrexed
分子名称: 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, THF riboswitch
著者Trausch, J.J, Batey, R.T.
登録日2013-07-26
公開日2014-03-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Disconnect between High-Affinity Binding and Efficient Regulation by Antifolates and Purines in the Tetrahydrofolate Riboswitch.
Chem.Biol., 21, 2014
4LRC
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BU of 4lrc by Molmil
Phosphopentomutase V158L variant
分子名称: ACETATE ION, GLYCEROL, MANGANESE (II) ION, ...
著者Birmingham, W.A, Starbird, C.A, Panosian, T.D, Nannemann, D.P, Iverson, T.M, Bachmann, B.O.
登録日2013-07-19
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Bioretrosynthetic construction of a didanosine biosynthetic pathway.
Nat.Chem.Biol., 10, 2014
4LUD
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BU of 4lud by Molmil
Crystal Structure of HCK in complex with the fluorescent compound SKF86002
分子名称: 6-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole, CALCIUM ION, CHLORIDE ION, ...
著者Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S.
登録日2013-07-25
公開日2014-02-12
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002.
Acta Crystallogr.,Sect.D, 70, 2014
4LR7
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BU of 4lr7 by Molmil
Phosphopentomutase S154A variant
分子名称: GLYCEROL, MANGANESE (II) ION, Phosphopentomutase
著者Birmingham, W.A, Starbird, C.A, Panosian, T.D, Nannemann, D.P, Iverson, T.M, Bachmann, B.O.
登録日2013-07-19
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Bioretrosynthetic construction of a didanosine biosynthetic pathway.
Nat.Chem.Biol., 10, 2014
4LVV
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BU of 4lvv by Molmil
Structure of the THF riboswitch
分子名称: N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, THF riboswitch
著者Trausch, J.J, Batey, R.T.
登録日2013-07-26
公開日2014-03-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Disconnect between High-Affinity Binding and Efficient Regulation by Antifolates and Purines in the Tetrahydrofolate Riboswitch.
Chem.Biol., 21, 2014
2VEA
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BU of 2vea by Molmil
The complete sensory module of the cyanobacterial phytochrome Cph1 in the Pr-state.
分子名称: PHYCOCYANOBILIN, PHYTOCHROME-LIKE PROTEIN CPH1
著者Essen, L.-O, Mailliet, J, Hughes, J.
登録日2007-10-18
公開日2008-09-30
最終更新日2014-02-26
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献The Structure of a Complete Phytochrome Sensory Module in the Pr Ground State.
Proc.Natl.Acad.Sci.USA, 105, 2008
4LRB
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BU of 4lrb by Molmil
Phosphopentomutase S154G variant soaked with 2,3-dideoxyribose 5-phosphate
分子名称: 2,3-dideoxy-5-O-phosphono-alpha-D-ribofuranose, ACETATE ION, GLYCEROL, ...
著者Birmingham, W.A, Starbird, C.A, Panosian, T.D, Nannemann, D.P, Iverson, T.M, Bachmann, B.O.
登録日2013-07-19
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Bioretrosynthetic construction of a didanosine biosynthetic pathway.
Nat.Chem.Biol., 10, 2014
4LR8
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BU of 4lr8 by Molmil
Phosphopentomutase S154A variant soaked with ribose 5-phosphate
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-O-phosphono-alpha-D-ribofuranose, ACETATE ION, ...
著者Birmingham, W.A, Starbird, C.A, Panosian, T.D, Nannemann, D.P, Iverson, T.M, Bachmann, B.O.
登録日2013-07-19
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Bioretrosynthetic construction of a didanosine biosynthetic pathway.
Nat.Chem.Biol., 10, 2014
7UFG
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BU of 7ufg by Molmil
Cryo-EM structure of PAPP-A in complex with IGFBP5
分子名称: Insulin-like growth factor-binding protein 5, Pappalysin-1, ZINC ION
著者Judge, R.A, Jain, R, Hao, Q, Ouch, C, Sridar, J, Smith, C.L, Wang, J.C.K, Eaton, D.
登録日2022-03-22
公開日2022-09-28
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献Structure of the PAPP-ABP5 complex reveals mechanism of substrate recognition
Nat Commun, 13, 2022
7UKK
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BU of 7ukk by Molmil
Room-temperature X-ray structure of SARS-CoV-2 main protease in complex with GC-376
分子名称: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2022-04-01
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Autoprocessing and oxyanion loop reorganization upon GC373 and nirmatrelvir binding of monomeric SARS-CoV-2 main protease catalytic domain.
Commun Biol, 5, 2022
7UJU
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BU of 7uju by Molmil
Room-temperature X-ray structure of monomeric SARS-CoV-2 main protease catalytic domain (MPro1-196) in complex with nirmatrelvir
分子名称: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2022-03-31
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Autoprocessing and oxyanion loop reorganization upon GC373 and nirmatrelvir binding of monomeric SARS-CoV-2 main protease catalytic domain.
Commun Biol, 5, 2022
7UJ9
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BU of 7uj9 by Molmil
Room-temperature X-ray structure of monomeric SARS-CoV-2 main protease catalytic domain (MPro1-199)
分子名称: 3C-like proteinase nsp5
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2022-03-30
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Autoprocessing and oxyanion loop reorganization upon GC373 and nirmatrelvir binding of monomeric SARS-CoV-2 main protease catalytic domain.
Commun Biol, 5, 2022
7UJG
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BU of 7ujg by Molmil
Room-temperature X-ray structure of monomeric SARS-CoV-2 main protease catalytic domain (MPro1-196) in complex with GC-376
分子名称: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2022-03-30
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Autoprocessing and oxyanion loop reorganization upon GC373 and nirmatrelvir binding of monomeric SARS-CoV-2 main protease catalytic domain.
Commun Biol, 5, 2022
3P19
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BU of 3p19 by Molmil
Improved NADPH-dependent Blue Fluorescent Protein
分子名称: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative blue fluorescent protein
著者Kao, T.H, Chen, Y, Pai, C.H, Wang, A.H.J.
登録日2010-09-30
公開日2011-07-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure of a NADPH-dependent blue fluorescent protein revealed the unique role of Gly176 on the fluorescence enhancement.
J.Struct.Biol., 174, 2011
7UJ4
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BU of 7uj4 by Molmil
Inhibition of Human Menin by SNDX-5613
分子名称: 2-({4-[7-({(1r,4r)-4-[(ethanesulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N-ethyl-5-fluoro-N-(propan-2-yl)benzamide, Isoform 2 of Menin, MAGNESIUM ION
著者McKeever, B.M, Kulkarni, S, McGeehan, G.M.
登録日2022-03-30
公開日2022-12-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献MEN1 mutations mediate clinical resistance to menin inhibition.
Nature, 615, 2023
3OPZ
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BU of 3opz by Molmil
Crystal structure of trans-sialidase in complex with the Fab fragment of a neutralizing monoclonal IgG antibody
分子名称: 1,4-DIETHYLENE DIOXIDE, SODIUM ION, Trans-sialidase, ...
著者Larrieux, N, Muia, R, Campetella, O, Buschiazzo, A.
登録日2010-09-02
公開日2011-11-09
最終更新日2021-10-06
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Trypanosoma cruzi trans-sialidase in complex with a neutralizing antibody: structure/function studies towards the rational design of inhibitors.
Plos Pathog., 8, 2012
4LFS
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BU of 4lfs by Molmil
High resolution x-ray structure of racemic ShK toxin
分子名称: CHLORIDE ION, GLYCEROL, Potassium channel toxin ShK
著者Dang, B, Kubota, T, Mandal, K, Bezanilla, F, Kent, S.B.H.
登録日2013-06-27
公開日2013-08-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献Native Chemical Ligation at Asx-Cys, Glx-Cys: Chemical Synthesis and High-Resolution X-ray Structure of ShK Toxin by Racemic Protein Crystallography.
J.Am.Chem.Soc., 135, 2013
4DVX
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BU of 4dvx by Molmil
Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with MAE-II-188
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-(4-chloro-3-fluorophenyl)-N'-{[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl}ethanediamide, ...
著者Kwon, Y.D, Kwong, P.D.
登録日2012-02-23
公開日2013-02-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structures of HIV-1 gp120 Envelope Glycoprotein in Complex with NBD Analogues That Target the CD4-Binding Site.
Plos One, 9, 2014
3OLA
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BU of 3ola by Molmil
Poliovirus polymerase elongation complex with 2'-deoxy-CTP
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, DNA/RNA (5'-R(*GP*CP*CP*CP*GP*GP*AP*CP*GP*AP*GP*AP*GP*A)-D(P*C)-3'), ...
著者Gong, P, Peersen, O.B.
登録日2010-08-25
公開日2010-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural basis for active site closure by the poliovirus RNA-dependent RNA polymerase.
Proc.Natl.Acad.Sci.USA, 107, 2010
4LR9
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BU of 4lr9 by Molmil
Phosphopentomutase S154A variant soaked with 2,3-dideoxyribose 5-phosphate
分子名称: 2,3-dideoxy-5-O-phosphono-alpha-D-ribofuranose, GLYCEROL, MANGANESE (II) ION, ...
著者Birmingham, W.A, Starbird, C.A, Panosian, T.D, Nannemann, D.P, Iverson, T.M, Bachmann, B.O.
登録日2013-07-19
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Bioretrosynthetic construction of a didanosine biosynthetic pathway.
Nat.Chem.Biol., 10, 2014
4LVW
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BU of 4lvw by Molmil
Structure of the THF riboswitch bound to 7-deazaguanine
分子名称: 7-DEAZAGUANINE, THF riboswitch
著者Trausch, J.J, Batey, R.T.
登録日2013-07-26
公開日2014-03-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.768 Å)
主引用文献A Disconnect between High-Affinity Binding and Efficient Regulation by Antifolates and Purines in the Tetrahydrofolate Riboswitch.
Chem.Biol., 21, 2014
4LUE
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BU of 4lue by Molmil
Crystal Structure of HCK in complex with 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (resulting from displacement of SKF86002)
分子名称: 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, CALCIUM ION, CHLORIDE ION, ...
著者Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S.
登録日2013-07-25
公開日2014-02-12
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002.
Acta Crystallogr.,Sect.D, 70, 2014

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