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4PNT
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BU of 4pnt by Molmil
Crystal Structure of human Tankyrase 2 in complex with 1,5-IQD.
分子名称: 5-hydroxyisoquinolin-1(4H)-one, Tankyrase-2, ZINC ION
著者Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y.
登録日2014-05-25
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
6RZY
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BU of 6rzy by Molmil
Plasmodium falciparum PFA0660w Hsp40 co-chaperone J-domain
分子名称: Heat shock protein 40, type II
著者Vakonakis, I, Day, J.
登録日2019-06-13
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.379 Å)
主引用文献ThePlasmodium falciparumHsp70-x chaperone assists the heat stress response of the malaria parasite.
Faseb J., 33, 2019
4GTC
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BU of 4gtc by Molmil
T. Maritima FDTS (E144R mutant) plus FAD
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Thymidylate synthase thyX
著者Mathews, I.I, Lesley, S.A, Kohen, A, Prabhakar, A.
登録日2012-08-28
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Folate binding site of flavin-dependent thymidylate synthase.
Proc.Natl.Acad.Sci.USA, 109, 2012
4WCY
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BU of 4wcy by Molmil
Fab fragment of mouse AZ130 monoclonal antibody
分子名称: AZ130 Heavy chain, AZ130 Light chain, GLYCEROL, ...
著者Fallecker, C, Tarbouriech, N, Habib, M, Crepin, T, Drouet, E.
登録日2014-09-05
公開日2015-09-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fab fragment of mouse AZ130 monoclonal antibody
To Be Published
4V0S
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BU of 4v0s by Molmil
Crystal structure of Mycobacterium tuberculosis Type II Dehydroquinase D88N mutant inhibited by a 3-dehydroquinic acid derivative
分子名称: (1R,2S,4S,5R)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid, 3,4-DIHYDROXY-2-[(2,3,4,5,6-PENTAFLUOROPHENYL)METHYL]BENZOIC ACID, 3-DEHYDROQUINATE DEHYDRATASE, ...
著者Otero, J.M, Llamas-Saiz, A.L, Santiago, C, Lamb, H, Hawkins, A.R, Maneiro, M, Peon, A, Gonzalez-Bello, C, van Raaij, M.J.
登録日2014-09-18
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Investigation of the Dehydratation Mechanism Catalyzed by the Type II Dehydroquinase
To be Published
4USI
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BU of 4usi by Molmil
Nitrogen regulatory protein PII from Chlamydomonas reinhardtii in complex with MgATP and 2-oxoglutarate
分子名称: 2-OXOGLUTARIC ACID, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Chellamuthu, V.R, Forchhammer, K, Hartmann, M.D.
登録日2014-07-08
公開日2014-12-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献A Widespread Glutamine-Sensing Mechanism in the Plant Kingdom.
Cell(Cambridge,Mass.), 159, 2014
4USR
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BU of 4usr by Molmil
Structure of flavin-containing monooxygenase from Pseudomonas stutzeri NF13
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MONOOXYGENASE
著者Jensen, C.N, Ali, S.T, Allen, M.J, Grogan, G.
登録日2014-07-11
公開日2014-10-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Exploring Nicotinamide Cofactor Promiscuity in Nad(P)H-Dependent Flavin Containing Monooxygenases (Fmos) Using Natural Variation within the Phosphate Binding Loop. Structure and Activity of Fmos from Cellvibrio Sp. Br and Pseudomonas Stutzeri NF13
J.Mol.Catal., 109, 2014
4USX
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BU of 4usx by Molmil
The Structure of the C-terminal YadA-like domain of BPSL2063 from Burkholderia pseudomallei
分子名称: MAGNESIUM ION, TRIMERIC AUTOTRANSPORTER ADHESIN
著者Perletti, L, Gourlay, L.J, Peano, C, Pietrelli, A, DeBellis, G, Deantonio, C, Santoro, C, Sblattero, D, Bolognesi, M.
登録日2014-07-16
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Selecting Soluble/Foldable Protein Domains Through Single-Gene or Genomic Orf Filtering: Structure of the Head Domain of Burkholderia Pseudomallei Antigen Bpsl2063.
Acta Crystallogr.,Sect.D, 71, 2015
4GXI
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BU of 4gxi by Molmil
R283K DNA polymerase beta binary complex with a templating 8OG
分子名称: DNA (5'-D(*CP*CP*GP*AP*CP*(8OG)P*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'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
著者Freudenthal, B.D, Beard, W.A, Wilson, S.H.
登録日2012-09-04
公開日2013-01-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.949 Å)
主引用文献DNA polymerase minor groove interactions modulate mutagenic bypass of a templating 8-oxoguanine lesion.
Nucleic Acids Res., 41, 2013
4UV9
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BU of 4uv9 by Molmil
LSD1(KDM1A)-CoREST in complex with 1-Ethyl-Tranylcypromine
分子名称: LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(4aS,10aS)-4a-[(1S,3E)-3-imino-1-phenylpentyl]-7,8-dimethyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]pteridin-10(2H)-yl]pentyl dihydrogen diphosphate
著者Vianello, P, Botrugno, O, Cappa, A, Ciossani, G, Dessanti, P, Mai, A, Mattevi, A, Meroni, G, Minucci, S, Thaler, F, Tortorici, M, Trifiro, P, Valente, S, Villa, M, Varasi, M, Mercurio, C.
登録日2014-08-05
公開日2014-09-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A.
Eur.J.Med.Chem., 86C, 2014
4UXL
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BU of 4uxl by Molmil
Structure of Human ROS1 Kinase Domain in Complex with PF-06463922
分子名称: (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ROS
著者McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A.
登録日2014-08-25
公開日2015-03-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Pf-06463922 is a Potent and Selective Next-Generation Ros1/Alk Inhibitor Capable of Blocking Crizotinib-Resistant Ros1 Mutations.
Proc.Natl.Acad.Sci.USA, 112, 2015
4UUM
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BU of 4uum by Molmil
Apo trichomonas vaginalis lactate dehydrogenase
分子名称: L-LACTATE DEHYDROGENASE
著者Steindel, P.A, Chen, E.H, Theobald, D.L.
登録日2014-07-29
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.368 Å)
主引用文献Gradual Neofunctionalization in the Convergent Evolution of Trichomonad Lactate and Malate Dehydrogenases.
Protein Sci., 25, 2016
5IEO
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BU of 5ieo by Molmil
Structure of CDL2.3a, a computationally designed Vitamin-D3 binder
分子名称: 1,2-ETHANEDIOL, 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL, CDL2.3a
著者Stoddard, B.L, Doyle, L.A.
登録日2016-02-25
公開日2017-03-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.851 Å)
主引用文献Unintended specificity of an engineered ligand-binding protein facilitated by unpredicted plasticity of the protein fold.
Protein Eng.Des.Sel., 31, 2018
7SAL
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BU of 7sal by Molmil
Crystal Structure of LaM6 Nanobody bound to mCherry
分子名称: GLYCEROL, LaM6, mCherry
著者Cong, A.T.Q, Schellenberg, M.J.
登録日2021-09-22
公開日2022-09-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献High-efficiency recombinant protein purification using mCherry and YFP nanobody affinity matrices.
Protein Sci., 31, 2022
7DE0
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BU of 7de0 by Molmil
Crystal structure of FtmOx1 Y224F mutation
分子名称: FE (III) ION, FtmOx1
著者Wang, F, Gao, Y.Q, Gan, J.H, Cao, C.Y.
登録日2020-10-31
公開日2021-11-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based Insights into Mechanism of Endoperoxidase FtmOx1 Catalyzed Reactions
Catalysis Science And Technology, 2023
5IGA
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BU of 5iga by Molmil
Crystal structure of a marine metagenome TRAP solute binding protein specific for aromatic acid ligands (Sorcerer II Global Ocean Sampling Expedition, unidentified microbe, locus tag GOS_1523157, Triple Surface Mutant K158A_K223A_K313A) in complex with co-purified parahydroxybenzoate
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, P-HYDROXYBENZOIC ACID, ...
著者Vetting, M.W, Al Obaidi, N.F, Hogle, S.L, Dupont, C.L, Almo, S.C.
登録日2016-02-27
公開日2017-01-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal structure of a marine metagenome TRAP solute binding protein specific for aromatic acid ligands (Sorcerer II Global Ocean Sampling Expedition, unidentified microbe, locus tag GOS_1523157, Triple Surface Mutant K158A_K223A_K313A) in complex with co-purified parahydroxybenzoate
To be published
4V74
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BU of 4v74 by Molmil
70S-fMetVal-tRNAVal-tRNAfMet complex in hybrid pre-translocation state (pre5b)
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Blau, C, Bock, L.V, Schroder, G.F, Davydov, I, Fischer, N, Stark, H, Rodnina, M.V, Vaiana, A.C, Grubmuller, H.
登録日2013-10-14
公開日2014-07-09
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (17 Å)
主引用文献Energy barriers and driving forces in tRNA translocation through the ribosome.
Nat.Struct.Mol.Biol., 20, 2013
4V7Y
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BU of 4v7y by Molmil
Structure of the Thermus thermophilus 70S ribosome complexed with azithromycin.
分子名称: 16S rRNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Bulkley, D.P, Innis, C.A, Blaha, G, Steitz, T.A.
登録日2010-08-18
公開日2014-07-09
最終更新日2014-12-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Revisiting the structures of several antibiotics bound to the bacterial ribosome.
Proc.Natl.Acad.Sci.USA, 107, 2010
3MBI
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BU of 3mbi by Molmil
Crystal structure of the phosphoribosylpyrophosphate (PRPP) synthetase from Thermoplasma volcanium in complex with ADP-Mg2+ and ribose 5-phosphate
分子名称: 5-O-phosphono-alpha-D-ribofuranose, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Cherney, L.T, Cherney, M.M, Garen, C.R, James, M.N.G.
登録日2010-03-25
公開日2011-04-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The structures of Thermoplasma volcanium phosphoribosyl pyrophosphate synthetase bound to ribose-5-phosphate and ATP analogs.
J.Mol.Biol., 413, 2011
7SAI
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BU of 7sai by Molmil
Crystal Structure of Lag30 Nanobody bound to eGFP
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Green fluorescent protein, ...
著者Cong, A.T.Q, Schellenberg, M.J.
登録日2021-09-22
公開日2022-09-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献High-efficiency recombinant protein purification using mCherry and YFP nanobody affinity matrices.
Protein Sci., 31, 2022
4V7W
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BU of 4v7w by Molmil
Structure of the Thermus thermophilus ribosome complexed with chloramphenicol.
分子名称: 16S rRNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Bulkley, D.P, Innis, C.A, Blaha, G, Steitz, T.A.
登録日2010-08-16
公開日2014-07-09
最終更新日2014-12-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Revisiting the structures of several antibiotics bound to the bacterial ribosome.
Proc.Natl.Acad.Sci.USA, 107, 2010
7SAH
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BU of 7sah by Molmil
Crystal Structure of LaG16 Nanobody bound to eGFP
分子名称: Green fluorescent protein, LaG16
著者Cong, A.T.Q, Schellenberg, M.J.
登録日2021-09-22
公開日2022-09-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献High-efficiency recombinant protein purification using mCherry and YFP nanobody affinity matrices.
Protein Sci., 31, 2022
7SAJ
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BU of 7saj by Molmil
Crystal Structure of LaM2 Nanobody bound to mCherry
分子名称: mCherry, nanobody LaM2
著者Cong, A.T.Q, Schellenberg, M.J.
登録日2021-09-22
公開日2022-09-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献High-efficiency recombinant protein purification using mCherry and YFP nanobody affinity matrices.
Protein Sci., 31, 2022
4US1
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BU of 4us1 by Molmil
The crystal structure of H-Ras and SOS in complex with ligands
分子名称: (3S)-3-[3-(aminomethyl)phenyl]-1-ethylpyrrolidine-2,5-dione, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1
著者Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G.
登録日2014-07-02
公開日2015-03-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4UWU
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BU of 4uwu by Molmil
Lysozyme soaked with a ruthenium based CORM with a pyridine ligand (complex 7)
分子名称: CARBON MONOXIDE, CHLORIDE ION, FORMIC ACID, ...
著者Santos, M.F.A, Mukhopadhyay, A, Romao, M.J, Romao, C.C, Santos-Silva, T.
登録日2014-08-14
公開日2014-12-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献A Contribution to the Rational Design of Ru(Co)3Cl2L Complexes for in Vivo Delivery of Co.
Dalton Trans, 44, 2015

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