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6N34
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BU of 6n34 by Molmil
Crystal structure of the BTB domain of Human NS1-BP
分子名称: Influenza virus NS1A-binding protein
著者Zhang, K, Shang, G, Padavannil, A, Fontoura, B, Chook, Y.M.
登録日2018-11-14
公開日2018-12-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural-functional interactions of NS1-BP protein with the splicing and mRNA export machineries for viral and host gene expression.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5YTF
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BU of 5ytf by Molmil
Structure of large fragment of DNA Polymerase I from Thermus aquaticus Host-Guest complex with the unnatural base M-fC pair with dA
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*AP*AP*CP*GP*GP*CP*GP*CP*CP*GP*(92F)P*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), ...
著者Zeng, H, Mondal, M, Song, R.Y, Zhang, J, Xia, B, Gao, Y.Q, Yi, C.Q.
登録日2017-11-17
公開日2018-11-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Unnatural Cytosine Bases Recognized as Thymines by DNA Polymerases by the Formation of the Watson-Crick Geometry.
Angew. Chem. Int. Ed. Engl., 58, 2019
6SCZ
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BU of 6scz by Molmil
Mycobacterium tuberculosis alanine racemase inhibited by DCS
分子名称: (~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene-[(4~{R})-3-oxidanylidene-1,2-oxazolidin-4-yl]azanium, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者de Chiara, C, Purkiss, A, Prosser, G, Homsak, M, de Carvalho, L.P.S.
登録日2019-07-26
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献D-Cycloserine destruction by alanine racemase and the limit of irreversible inhibition.
Nat.Chem.Biol., 16, 2020
6YHS
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BU of 6yhs by Molmil
Acinetobacter baumannii ribosome-amikacin complex - 50S subunit
分子名称: 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
著者Nicholson, D, Edwards, T.A, O'Neill, A.J, Ranson, N.A.
登録日2020-03-30
公開日2020-09-16
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structure of the 70S Ribosome from the Human Pathogen Acinetobacter baumannii in Complex with Clinically Relevant Antibiotics.
Structure, 28, 2020
6YGY
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BU of 6ygy by Molmil
tRNA-Guanine Transglycosylase (TGT) labeled with 5-fluorotryptophan in co-crystallized complex with 6-Amino-4-[2-(4-methylphenyl)ethyl]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
分子名称: 6-AMINO-4-[2-(4-METHYLPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE, Queuine tRNA-ribosyltransferase, ZINC ION
著者Nguyen, A, Heine, A, Klebe, G.
登録日2020-03-28
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Co-crystallization, nanoESI-MS and 19F NMR reveal dimer disturbing inhibitors and conformational changes at dimer contacts
To Be Published
5YOX
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BU of 5yox by Molmil
HD domain-containing protein YGK1(YGL101W)
分子名称: HD domain-containing protein YGL101W, ZINC ION
著者Yang, J, Wang, F, Gao, Z, Zhou, K, Liu, Q.
登録日2017-10-31
公開日2018-11-21
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献HD domain-containing protein YGK1(YGL101W)
To Be Published
6YJC
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BU of 6yjc by Molmil
Crystal structure of p38alpha in complex with SR154
分子名称: 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14
著者Joerger, A.C, Schroeder, M, Roehm, S, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-04-02
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.74100935 Å)
主引用文献Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
6YKR
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BU of 6ykr by Molmil
Structure of a protonation mimic of unplugged C. jejuni MotAB
分子名称: Chemotaxis protein MotA, putative, Chemotaxis protein MotB
著者Santiveri, M, Roa-Eguiara, A, Taylor, N.M.I.
登録日2020-04-06
公開日2020-09-30
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structure and Function of Stator Units of the Bacterial Flagellar Motor.
Cell, 183, 2020
6SYC
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BU of 6syc by Molmil
Crystal structure of the lysozyme in presence of bromophenol blue at pH 6.5
分子名称: CHLORIDE ION, IMIDAZOLE, Lysozyme, ...
著者Camara-Artigas, A, Plaza-Garrido, M, Salinas-Garcia, M.C.
登録日2019-09-27
公開日2020-09-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Lysozyme crystals dyed with bromophenol blue: where has the dye gone?
Acta Crystallogr D Struct Biol, 76, 2020
6YKP
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BU of 6ykp by Molmil
Structure of unplugged C. jejuni MotAB
分子名称: Chemotaxis protein MotA, putative, Chemotaxis protein MotB
著者Santiveri, M, Roa-Eguiara, A, Taylor, N.M.I.
登録日2020-04-06
公開日2020-09-30
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Structure and Function of Stator Units of the Bacterial Flagellar Motor.
Cell, 183, 2020
6YLT
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BU of 6ylt by Molmil
Translation initiation factor 4E in complex with 3-MeBn7GpppG mRNA 5' cap analog
分子名称: Eukaryotic translation initiation factor 4E, [[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(3-methylphenyl)methyl]-6-oxidanylidene-1~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
著者Kubacka, D, Wojcik, R, Baranowski, M.R, Kowalska, J, Jemielity, J.
登録日2020-04-07
公開日2020-04-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Novel N7-Arylmethyl Substituted Dinucleotide mRNA 5' cap Analogs: Synthesis and Evaluation as Modulators of Translation.
Pharmaceutics, 13, 2021
6YL0
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BU of 6yl0 by Molmil
Crystal structure of YTHDC1 with compound T_96
分子名称: DI(HYDROXYETHYL)ETHER, SULFATE ION, YTHDC1, ...
著者Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
登録日2020-04-06
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal structure of YTHDC1 with compound T_96
To Be Published
5YJ1
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BU of 5yj1 by Molmil
Mouse Cereblon thalidomide binding domain complexed with R-form thalidomide
分子名称: 2-[(3~{R})-2,6-bis(oxidanylidene)piperidin-3-yl]isoindole-1,3-dione, Protein cereblon, SULFATE ION, ...
著者Mori, T, Hakoshima, T.
登録日2017-10-06
公開日2018-02-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of thalidomide enantiomer binding to cereblon
Sci Rep, 8, 2018
6WG3
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BU of 6wg3 by Molmil
Cryo-EM structure of human Cohesin-NIPBL-DNA complex
分子名称: Cohesin subunit SA-1, DNA (51-MER), Double-strand-break repair protein rad21 homolog, ...
著者Shi, Z.B, Gao, H, Bai, X.C, Yu, H.
登録日2020-04-04
公開日2020-05-20
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (5.3 Å)
主引用文献Cryo-EM structure of the human cohesin-NIPBL-DNA complex.
Science, 368, 2020
6MXD
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BU of 6mxd by Molmil
Crystal structure of Trypanosoma brucei hypoxanthine-guanine-xanthine phosphoribosyltranferase in complex with IMP
分子名称: Hypoxanthine-guanine phosphoribosyltransferase, putative, INOSINIC ACID, ...
著者Teran, D, Guddat, L.
登録日2018-10-30
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Crystal structures of Trypanosoma brucei hypoxanthine - guanine - xanthine phosphoribosyltransferase in complex with IMP, GMP and XMP.
Febs J., 286, 2019
6SD5
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BU of 6sd5 by Molmil
Structure of the RBM2 inner ring of Salmonella flagella MS-ring protein FliF with 22-fold symmetry applied
分子名称: Flagellar M-ring protein
著者Johnson, S, Fong, Y.H, Deme, J.C, Furlong, E.J, Kuhlen, L, Lea, S.M.
登録日2019-07-26
公開日2020-03-18
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Symmetry mismatch in the MS-ring of the bacterial flagellar rotor explains the structural coordination of secretion and rotation.
Nat Microbiol, 5, 2020
6WOP
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BU of 6wop by Molmil
Crystal structure of gamma-aminobutyrate aminotransferase PuuE from Acinetobacter baumannii
分子名称: 4-aminobutyrate transaminase, CHLORIDE ION, D(-)-TARTARIC ACID
著者Stogios, P.J, Skarina, T, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-04-25
公開日2020-05-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of gamma-aminobutyrate aminotransferase PuuE from Acinetobacter baumannii
To Be Published
6WUE
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BU of 6wue by Molmil
Tetragonal crystal form of SbtB from Synechocystis PCC6803
分子名称: ISOPROPYL ALCOHOL, Membrane-associated protein slr1513, SODIUM ION
著者Bu, G, Simmons, C.R, Nielsen, D.R, Nannenga, B.L.
登録日2020-05-04
公開日2020-08-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Tetragonal crystal form of the cyanobacterial bicarbonate-transporter regulator SbtB from Synechocystis sp. PCC 6803.
Acta Crystallogr.,Sect.F, 76, 2020
6WH4
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BU of 6wh4 by Molmil
Crystal structure of HTR2A with inverse agonist
分子名称: 1-methyl-4-[(5~{S})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562 fusion, CHOLESTEROL, ...
著者Kim, K.L, Che, T, Krumm, B.E, Roth, B.L.
登録日2020-04-07
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structure of a Hallucinogen-Activated Gq-Coupled 5-HT 2A Serotonin Receptor
Cell(Cambridge,Mass.), 182, 2020
6WXF
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BU of 6wxf by Molmil
Cryo-EM reconstruction of VP5*/VP8* assembly from rhesus rotavirus particles - Intermediate conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Intermediate capsid protein VP6, ...
著者Herrmann, T, Harrison, S.C, Jenni, S.
登録日2020-05-10
公開日2021-01-20
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Functional refolding of the penetration protein on a non-enveloped virus.
Nature, 590, 2021
6X3Y
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BU of 6x3y by Molmil
Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors
分子名称: Peptidyl-prolyl cis-trans isomerase A, tert-butyl [(2S)-1-{[(3S,17S)-2,16-dioxo-10,15-dioxa-1,21-diazatricyclo[15.3.1.1~5,9~]docosa-5(22),6,8-trien-3-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate
著者Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D.
登録日2020-05-21
公開日2020-06-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis.
J.Chem.Inf.Model., 60, 2020
6SNK
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BU of 6snk by Molmil
Crystal structure of the Collagen VI alpha3 N2 domain
分子名称: Collagen alpha-3(VI) chain
著者Gebauer, J.M, Degefa, H.S, Paulsson, M, Wagener, R, Baumann, U.
登録日2019-08-26
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of a collagen VI alpha 3 chain VWA domain array: adaptability and functional implications of myopathy causing mutations.
J.Biol.Chem., 295, 2020
6X4N
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BU of 6x4n by Molmil
Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-3-oxa-9,12,15,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (compound 24)
分子名称: (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-3-oxa-9,12,15,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A
著者Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D.
登録日2020-05-22
公開日2020-06-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis.
J.Chem.Inf.Model., 60, 2020
6X4T
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BU of 6x4t by Molmil
Crystal structure of ICOS-L in complex with Prezalumab and VNAR domain
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, GLYCEROL, ...
著者Rujas, E, Sicard, T, Julien, J.P.
登録日2020-05-23
公開日2020-10-14
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Structural characterization of the ICOS/ICOS-L immune complex reveals high molecular mimicry by therapeutic antibodies.
Nat Commun, 11, 2020
6SFA
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BU of 6sfa by Molmil
Trypanosoma cruzi farnesyl diphosphate synthase apo structure with Mn ions
分子名称: Farnesyl diphosphate synthase, MANGANESE (II) ION, SULFATE ION
著者Magari, F, Heine, A, Klebe, G.
登録日2019-08-01
公開日2020-08-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Trypanosoma cruzi farnesyl diphosphate synthase apo structure with Mn ions
To Be Published

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