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8P2F
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BU of 8p2f by Molmil
Staphylococcus aureus 70S ribosome with elongation factor G locked with fusidic acid cyclopentane in post-translocational state
分子名称: 1,4-DIAMINOBUTANE, 16S ribosomal RNA, 2-[(3~{R},4~{S},5~{S},8~{S},9~{S},10~{S},11~{R},13~{S},14~{S},16~{S})-16-acetyloxy-4,8,10,14-tetramethyl-3,11-bis(oxidanyl)-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5-cyclopentyl-pentanoic acid, ...
著者Gonzalez-Lopez, A, Selmer, M.
登録日2023-05-16
公開日2024-05-01
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.44 Å)
主引用文献Structures of the Staphylococcus aureus ribosome inhibited by fusidic acid and fusidic acid cyclopentane.
Sci Rep, 14, 2024
8P2G
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Staphylococcus aureus 70S ribosome with elongation factor G locked with fusidic acid cyclopentane with a tRNA in pe/E chimeric state
分子名称: 1,4-DIAMINOBUTANE, 16S ribosomal RNA, 2-[(3~{R},4~{S},5~{S},8~{S},9~{S},10~{S},11~{R},13~{S},14~{S},16~{S})-16-acetyloxy-4,8,10,14-tetramethyl-3,11-bis(oxidanyl)-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5-cyclopentyl-pentanoic acid, ...
著者Gonzalez-Lopez, A, Selmer, M.
登録日2023-05-16
公開日2024-05-01
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.02 Å)
主引用文献Structures of the Staphylococcus aureus ribosome inhibited by fusidic acid and fusidic acid cyclopentane.
Sci Rep, 14, 2024
4CUR
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BU of 4cur by Molmil
Crystal structure of human BAZ2B in complex with fragment-3 N09555
分子名称: 1,2-ETHANEDIOL, 2-(hydroxymethyl)-6-methylpyridin-3-ol, BROMODOMAIN ADJACENT TO ZINC FINGER DOMAIN PROTEIN 2B
著者Bradley, A.R, Liu, Y, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, von Delft, F.
登録日2014-03-21
公開日2014-04-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.842 Å)
主引用文献Crystal Structure of Human Baz2B in Complex with Fragment-3 N09553
To be Published
8P2H
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BU of 8p2h by Molmil
Staphylococcus aureus 70S ribosome with elongation factor G locked with fusidic acid with a tRNA in pe/E chimeric state
分子名称: 1,4-DIAMINOBUTANE, 16S ribosomal RNA, 23S ribosomal RNA, ...
著者Gonzalez-Lopez, A, Selmer, M.
登録日2023-05-16
公開日2024-05-01
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.49 Å)
主引用文献Structures of the Staphylococcus aureus ribosome inhibited by fusidic acid and fusidic acid cyclopentane.
Sci Rep, 14, 2024
4C2F
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BU of 4c2f by Molmil
Crystal structure of the CtpB R168A mutant present in an active conformation
分子名称: CARBOXY-TERMINAL PROCESSING PROTEASE CTPB, PEPTIDE1, PEPTIDE2
著者Mastny, M, Heuck, A, Kurzbauer, R, Clausen, T.
登録日2013-08-17
公開日2013-12-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Ctpb Assembles a Gated Protease Tunnel Regulating Cell-Cell Signaling During Spore Formation in Bacillus Subtilis.
Cell(Cambridge,Mass.), 155, 2013
5ZRN
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BU of 5zrn by Molmil
Inhibitor bound crystal structure of N-terminal domain of FACL13 from Mycobacterium tuberculosis
分子名称: 5'-O-{[(1R)-1-hydroxydodecyl]sulfamoyl}adenosine, Long-chain-fatty-acid--CoA ligase FadD13
著者Goyal, A, Sankaranarayanan, R.
登録日2018-04-24
公開日2019-04-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Inhibitor bound crystal structure of N-terminal domain of FACL13 from Mycobacterium tuberculosis
To Be Published
4C57
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Structure of GAK kinase in complex with a nanobody
分子名称: (2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME}, 1,2-ETHANEDIOL, Cyclin-G-associated kinase, ...
著者Chaikuad, A, Keates, T, Krojer, T, Allerston, C.K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Muller-Knapp, S.
登録日2013-09-10
公開日2013-10-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structure of Cyclin G-Associated Kinase (Gak) Trapped in Different Conformations Using Nanobodies.
Biochem.J., 459, 2014
5WCI
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BU of 5wci by Molmil
Human MYST histone acetyltransferase 1
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Histone acetyltransferase KAT8, ...
著者Dong, A, Zeng, H, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Zheng, Y.G, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC)
登録日2017-06-30
公開日2017-07-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Human MYST histone acetyltransferase 1
to be published
8OXR
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BU of 8oxr by Molmil
Structure of the N-terminal didomain d1_d2 of the Thrombospondin type-1 domain-containing 7A
分子名称: Thrombospondin type-1 domain-containing protein 7A
著者Bochel, A, Mortensen, S.A, Chojnowski, G, Wilmanns, M.
登録日2023-05-02
公開日2024-05-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the N-terminal didomain d1_d2 of the Thrombospondin type-1 domain-containing 7A
To Be Published
1TD0
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BU of 1td0 by Molmil
Viral capsid protein SHP at pH 5.5
分子名称: Head decoration protein
著者Chang, C, Forrer, P, Ott, D, Wlodawer, A, Plueckthun, A.
登録日2004-05-21
公開日2004-11-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Kinetic Stability and Crystal Structure of the Viral Capsid Protein SHP
J.Mol.Biol., 344, 2004
1TDW
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BU of 1tdw by Molmil
Crystal structure of double truncated human phenylalanine hydroxylase BH4-responsive PKU mutant A313T.
分子名称: FE (III) ION, Phenylalanine-4-hydroxylase
著者Erlandsen, H, Pey, A.L, Gamez, A, Perez, B, Desviat, L.R, Aguado, C, Koch, R, Surendran, S, Tyring, S, Matalon, R, Scriver, C.R, Ugarte, M, Martinez, A, Stevens, R.C.
登録日2004-05-24
公開日2004-11-30
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Correction of kinetic and stability defects by tetrahydrobiopterin in phenylketonuria patients with certain phenylalanine hydroxylase mutations.
Proc.Natl.Acad.Sci.Usa, 101, 2004
2AKL
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BU of 2akl by Molmil
Solution structure for phn-A like protein PA0128 from Pseudomonas aeruginosa
分子名称: ZINC ION, phnA-like protein pa0128
著者Srisailam, S, Yee, A, Lemak, A, Lukin, J.A, Bansal, S, Prestegard, J.H, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG), Ontario Centre for Structural Proteomics (OCSP)
登録日2005-08-03
公開日2006-07-18
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Sequence Specific Resonance Assignment of a Hypothetical Protein PA0128 from Pseudomonas Aeruginosa
J.Biomol.Nmr, 36, 2006
6CQI
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BU of 6cqi by Molmil
2.42A Crystal structure of Mycobacterium tuberculosis Topoisomerase I in complex with an oligonucleotide MTS2-11
分子名称: ACETATE ION, DNA (5'-D(P*TP*TP*CP*CP*GP*CP*TP*TP*GP*A)-3'), DNA topoisomerase 1, ...
著者Cao, N, Thirunavukkarasu, A, Tan, K, Tse-Dinh, Y.-C.
登録日2018-03-15
公開日2018-05-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Investigating mycobacterial topoisomerase I mechanism from the analysis of metal and DNA substrate interactions at the active site.
Nucleic Acids Res., 46, 2018
1V0A
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BU of 1v0a by Molmil
Family 11 Carbohydrate-Binding Module of cellulosomal cellulase Lic26A-Cel5E of Clostridium thermocellum
分子名称: CALCIUM ION, ENDOGLUCANASE H, SULFATE ION
著者Carvalho, A.L, Romao, M.J, Goyal, A, Prates, J.A.M, Pires, V.M.R, Ferreira, L.M.A, Bolam, D.N, Gilbert, H.J, Fontes, C.M.G.A.
登録日2004-03-25
公開日2005-01-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献The Family 11 Carbohydrate-Binding Module of Clostridium Thermocellum Lic26A-Cel5E Accomodates Beta-1,4- and Beta-1,3-1,4-Mixed Linked Glucans at a Single Binding Site
J.Biol.Chem., 279, 2004
4C58
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BU of 4c58 by Molmil
Structure of GAK kinase in complex with nanobody (NbGAK_4)
分子名称: 1,2-ETHANEDIOL, 9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, Cyclin-G-associated kinase, ...
著者Chaikuad, A, Keates, T, Allerston, C.K, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Muller-Knapp, S.
登録日2013-09-10
公開日2013-10-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Structure of cyclin G-associated kinase (GAK) trapped in different conformations using nanobodies.
Biochem. J., 459, 2014
8P1G
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BU of 8p1g by Molmil
Crystal structure of inactive TtCE16 in complex with acetate
分子名称: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Dimarogona, M, Kosinas, C, Pentari, C, Zerva, A, Topakas, E, Karampa, P.
登録日2023-05-12
公開日2024-03-20
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献The role of CE16 exo-deacetylases in hemicellulolytic enzyme mixtures revealed by the biochemical and structural study of the novel TtCE16B esterase.
Carbohydr Polym, 327, 2024
8P64
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BU of 8p64 by Molmil
Co-crystal structure of PD-L1 with low molecular weight inhibitor
分子名称: Programmed cell death 1 ligand 1, ~{N}-[[1-[(~{E})-2-(2-methyl-3-phenyl-phenyl)ethenyl]-1,2,3,4-tetrazol-5-yl]methyl]ethanamine
著者Plewka, J, Magiera-Mularz, K, van der Straat, R, Draijer, R, Surmiak, E, Butera, R, Land, L, Musielak, B, Domling, A.
登録日2023-05-25
公開日2024-03-06
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (3.312 Å)
主引用文献1,5-Disubstituted tetrazoles as PD-1/PD-L1 antagonists.
Rsc Med Chem, 15, 2024
5WDK
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BU of 5wdk by Molmil
A processive dipeptidyl aminopeptidase secreted from an established commensal bacterium P. distasonis
分子名称: 5-[(3aS,4R,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(2-oxopropyl)pentanamide, Aminopeptidase C, POTASSIUM ION
著者Wolan, D.W, Xu, J.H, Solania, A, Chatterjee, S, Jiang, Z, ODonoghue, A.J.
登録日2017-07-05
公開日2018-07-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献A Commensal Dipeptidyl Aminopeptidase with Specificity for N-Terminal Glycine Degrades Human-Produced Antimicrobial Peptides in Vitro.
Acs Chem.Biol., 13, 2018
5WEY
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BU of 5wey by Molmil
Joint X-ray/neutron structure of Concanavalin A with alpha1-2 D-mannobiose
分子名称: CALCIUM ION, Concanavalin-A, MANGANESE (II) ION, ...
著者Kovalevsky, A, Gerlits, O.O, Woods, R.J.
登録日2017-07-11
公開日2017-09-13
最終更新日2023-10-04
実験手法NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION
主引用文献Mannobiose Binding Induces Changes in Hydrogen Bonding and Protonation States of Acidic Residues in Concanavalin A As Revealed by Neutron Crystallography.
Biochemistry, 56, 2017
8PEE
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BU of 8pee by Molmil
ABCB1 L335C mutant (mABCB1) in the inward facing state bound to AAC
分子名称: (4S,11S,18S)-4-[[(2,4-dinitrophenyl)disulfanyl]methyl]-11,18-dimethyl-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ATP-dependent translocase ABCB1, ...
著者Parey, K, Januliene, D, Gewering, T, Moeller, A.
登録日2023-06-13
公開日2024-03-20
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
8PJA
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FKBP51FK1 F67E/K58 (i, i+9) in complex with SAFit1
分子名称: 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Charalampidou, A, Hausch, F.
登録日2023-06-23
公開日2024-03-06
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Automated Flow Peptide Synthesis Enables Engineering of Proteins with Stabilized Transient Binding Pockets.
Acs Cent.Sci., 10, 2024
6RH7
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BU of 6rh7 by Molmil
Revisiting pH-gated conformational switch. Complex HK853 mutant H260A -RR468 mutant D53A pH 7.5
分子名称: ADENOSINE-5'-DIPHOSPHATE, Response regulator, SULFATE ION, ...
著者Mideros-Mora, C, Casino, P, Marina, A.
登録日2019-04-18
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Revisiting the pH-gated conformational switch on the activities of HisKA-family histidine kinases.
Nat Commun, 11, 2020
5WK2
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CRYSTAL STRUCTURE OF ANTI-CCL17 ANTIBODY M116
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, M116 HEAVY CHAIN, ...
著者Teplyakov, A, Obmolova, G, Gilliland, G.L.
登録日2017-07-24
公開日2017-12-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural insights into chemokine CCL17 recognition by antibody M116.
Biochem Biophys Rep, 13, 2018
6CQ2
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Crystal structure of Mycobacterium tuberculosis Topoisomerase I in complex with oligonucleotide MTS2-12 and Magnesium
分子名称: DNA (5'-D(P*TP*TP*CP*CP*GP*CP*TP*TP*GP*A)-3'), DNA topoisomerase 1, MAGNESIUM ION, ...
著者Cao, N, Thirunavukkaraus, A, Tan, K, Tse-Dinh, Y.-C.
登録日2018-03-14
公開日2018-05-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.004 Å)
主引用文献Investigating mycobacterial topoisomerase I mechanism from the analysis of metal and DNA substrate interactions at the active site.
Nucleic Acids Res., 46, 2018
5WKI
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Crystal structure of PG90 TCR-CD1b-PG complex
分子名称: (19S,22R,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9E)-octadec-9-enoate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Shahine, A, Gras, S, Rossjohn, J.
登録日2017-07-25
公開日2017-11-01
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献A molecular basis of human T cell receptor autoreactivity toward self-phospholipids.
Sci Immunol, 2, 2017

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