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6UDM
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BU of 6udm by Molmil
Structure of Human Cytochrome P450 1A1 with Duocarmycin Prodrug (S) ICT-2726
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Cytochrome P450 1A1, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Bart, A.G, Scott, E.E.
Deposit date:2019-09-19
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.075 Å)
Cite:Cytochrome P450 binding and bioactivation of tumor-targeted duocarmycin agents
Drug Metab.Dispos., 2021
8TJH
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BU of 8tjh by Molmil
TGP-E, extreme thermostable green fluorescent protein (TGP) with Q66E mutation
Descriptor: extreme thermostable green fluorescent protein (TGP-E)
Authors:Anderson, M.R, DeVore, N.M.
Deposit date:2023-07-21
Release date:2024-07-24
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Crystal Structure of Thermal Green Protein Q66E (TGP-E) and Yellow Thermostable Protein (YTP-E) E148D
SynBio, 2, 2024
6ODA
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BU of 6oda by Molmil
Crystal structure of HDAC8 in complex with compound 2
Descriptor: Histone deacetylase 8, N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide, POTASSIUM ION, ...
Authors:Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C.
Deposit date:2019-03-26
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors
To Be Published
6QDX
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BU of 6qdx by Molmil
Structure of E.coli RlmJ in complex with a bisubstrate analogue (BA4)
Descriptor: (2~{S})-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[[9-[(2~{S},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]propyl]amino]-2-azanyl-butanoic acid, Ribosomal RNA large subunit methyltransferase J
Authors:Oerum, S, Catala, M, Atdjian, C, Brachet, F, Ponchon, L, Barraud, P, Iannazzo, L, Droogmans, L, Braud, E, Etheve-Quelquejeu, M, Tisne, C.
Deposit date:2019-01-03
Release date:2019-03-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Bisubstrate analogues as structural tools to investigate m6A methyltransferase active sites.
Rna Biol., 16, 2019
8FIY
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BU of 8fiy by Molmil
Cryo-EM structure of E. coli RNA polymerase Elongation complex in the Transcription-Translation Complex (RNAP in an anti-swiveled conformation)
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Florez Ariza, A, Wee, L, Tong, A, Canari, C, Grob, P, Nogales, E, Bustamante, C.
Deposit date:2022-12-17
Release date:2023-03-29
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (7.3 Å)
Cite:A trailing ribosome speeds up RNA polymerase at the expense of transcript fidelity via force and allostery.
Cell, 186, 2023
6ODB
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BU of 6odb by Molmil
Crystal structure of HDAC8 in complex with compound 3
Descriptor: GLYCEROL, Histone deacetylase 8, N-{2-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide, ...
Authors:Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C.
Deposit date:2019-03-26
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors
To Be Published
8FIX
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BU of 8fix by Molmil
Cryo-EM structure of E. coli RNA polymerase backtracked elongation complex harboring a terminal mismatch
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Florez Ariza, A, Wee, L, Tong, A, Canari, C, Grob, P, Nogales, E, Bustamante, C.
Deposit date:2022-12-17
Release date:2023-03-29
Last modified:2025-05-21
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:A trailing ribosome speeds up RNA polymerase at the expense of transcript fidelity via force and allostery.
Cell, 186, 2023
6O97
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BU of 6o97 by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with propylamycin and bound to mRNA and A-, P-, and E-site tRNAs at 2.75A resolution
Descriptor: (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxyc yclohexyl 2-amino-2,4-dideoxy-4-propyl-alpha-D-glucopyranoside, 16S Ribosomal RNA, 23S Ribosomal RNA, ...
Authors:Matsushita, T, Sati, G.C, Kondasinghe, N, Pirrone, M.G, Kato, T, Waduge, P, Kumar, H.S, Sanchon, A.C, Dobosz-Bartoszek, M, Shcherbakov, D, Juhas, M, Hobbie, S.N, Schrepfer, T, Chow, C.S, Polikanov, Y.S, Schacht, J, Vasella, A, Bottger, E.C, Crich, D.
Deposit date:2019-03-13
Release date:2019-04-17
Last modified:2025-03-19
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Design, Multigram Synthesis, and in Vitro and in Vivo Evaluation of Propylamycin: A Semisynthetic 4,5-Deoxystreptamine Class Aminoglycoside for the Treatment of Drug-Resistant Enterobacteriaceae and Other Gram-Negative Pathogens.
J. Am. Chem. Soc., 141, 2019
8ZJF
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BU of 8zjf by Molmil
Cryo-EM structure of human integrin alpha-E beta-7
Descriptor: CALCIUM ION, Integrin alpha-E, Integrin beta-7, ...
Authors:Akasaka, H, Nureki, O, Kise, Y.
Deposit date:2024-05-14
Release date:2024-06-05
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Cryo-EM structure of I domain-containing integrin alpha E beta 7.
Biochem.Biophys.Res.Commun., 721, 2024
6NU9
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BU of 6nu9 by Molmil
Crystal Structure of a Zinc-Binding Non-Structural Protein from the Hepatitis E Virus
Descriptor: GLYCEROL, NITRITE ION, ZINC ION, ...
Authors:Proudfoot, A, Bussiere, D.
Deposit date:2019-01-31
Release date:2019-02-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.761 Å)
Cite:First Crystal Structure of a Nonstructural Hepatitis E Viral Protein Identifies a Putative Novel Zinc-Binding Protein.
J.Virol., 93, 2019
8UD6
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BU of 8ud6 by Molmil
Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with cresomycin, mRNA, deacylated A-site tRNAphe, aminoacylated P-site fMet-tRNAmet, and deacylated E-site tRNAphe at 2.70A resolution
Descriptor: (4S,5aS,8S,8aR)-4-(2-methylpropyl)-N-[(1R,5Z,7R,8R,9R,10R,11S,12R)-10,11,12-trihydroxy-7-methyl-13-oxa-2-thiabicyclo[7.3.1]tridec-5-en-8-yl]octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide (non-preferred name), 16S Ribosomal RNA, 23S Ribosomal RNA, ...
Authors:Aleksandrova, E.V, Syroegin, E.A, Wu, K.J.Y, Tresco, B.I.C, Ramkissoon, A, See, D.N.Y, Liow, P, Dittemore, G.A, Yu, M, Testolin, G, Mitcheltree, M.J, Liu, R.Y, Svetlov, M.S, Myers, A.G, Polikanov, Y.S.
Deposit date:2023-09-28
Release date:2024-02-21
Last modified:2025-03-19
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:An antibiotic preorganized for ribosomal binding overcomes antimicrobial resistance.
Science, 383, 2024
8UD7
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BU of 8ud7 by Molmil
Crystal structure of the A2058-N6-dimethylated Thermus thermophilus 70S ribosome in complex with cresomycin, mRNA, deacylated A-site tRNAphe, aminoacylated P-site fMet-tRNAmet, and deacylated E-site tRNAphe at 2.70A resolution
Descriptor: (4S,5aS,8S,8aR)-4-(2-methylpropyl)-N-[(1R,5Z,7R,8R,9R,10R,11S,12R)-10,11,12-trihydroxy-7-methyl-13-oxa-2-thiabicyclo[7.3.1]tridec-5-en-8-yl]octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide (non-preferred name), 16S Ribosomal RNA, 23S Ribosomal RNA, ...
Authors:Aleksandrova, E.V, Syroegin, E.A, Wu, K.J.Y, Tresco, B.I.C, Ramkissoon, A, See, D.N.Y, Liow, P, Dittemore, G.A, Yu, M, Testolin, G, Mitcheltree, M.J, Liu, R.Y, Svetlov, M.S, Myers, A.G, Polikanov, Y.S.
Deposit date:2023-09-28
Release date:2024-02-21
Last modified:2025-03-19
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:An antibiotic preorganized for ribosomal binding overcomes antimicrobial resistance.
Science, 383, 2024
9DFD
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BU of 9dfd by Molmil
Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with lasso peptide lariocidin B, mRNA, aminoacylated A-site Phe-tRNAphe, aminoacylated P-site fMet-tRNAmet, and deacylated E-site tRNAphe at 2.60A resolution
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Aleksandrova, E.V, Travin, D.Y, Jangra, M, Kaur, M, Darwish, L, Koteva, K, Klepacki, D, Wang, W, Tiffany, M, Sokaribo, A, Coombes, B.K, Vazquez-Laslop, N, Wright, G.D, Mankin, A.S, Polikanov, Y.S.
Deposit date:2024-08-29
Release date:2024-11-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Broad Spectrum Lasso Peptide Antibiotic Targeting the Bacterial Ribosome.
Res Sq, 2024
8UD8
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BU of 8ud8 by Molmil
Crystal structure of the A2503-C2,C8-dimethylated Thermus thermophilus 70S ribosome in complex with cresomycin, mRNA, deacylated A-site tRNAphe, aminoacylated P-site fMet-tRNAmet, and deacylated E-site tRNAphe at 2.70A resolution
Descriptor: (4S,5aS,8S,8aR)-4-(2-methylpropyl)-N-[(1R,5Z,7R,8R,9R,10R,11S,12R)-10,11,12-trihydroxy-7-methyl-13-oxa-2-thiabicyclo[7.3.1]tridec-5-en-8-yl]octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide (non-preferred name), 16S Ribosomal RNA, 23S Ribosomal RNA, ...
Authors:Aleksandrova, E.V, Syroegin, E.A, Wu, K.J.Y, Tresco, B.I.C, Ramkissoon, A, See, D.N.Y, Liow, P, Dittemore, G.A, Yu, M, Testolin, G, Mitcheltree, M.J, Liu, R.Y, Svetlov, M.S, Myers, A.G, Polikanov, Y.S.
Deposit date:2023-09-28
Release date:2024-02-21
Last modified:2025-02-12
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:An antibiotic preorganized for ribosomal binding overcomes antimicrobial resistance.
Science, 383, 2024
5MF4
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BU of 5mf4 by Molmil
Tubulin-Dictyostatin complex
Descriptor: (3~{Z},5~{E},7~{R},8~{S},10~{S},11~{Z},13~{S},14~{R},15~{S},17~{S},20~{R},21~{S},22~{S})-22-[(2~{S},3~{Z})-hexa-3,5-dien-2-yl]-7,13,15,17,21-pentamethyl-8,10,14,20-tetrakis(oxidanyl)-1-oxacyclodocosa-3,5,11-trien-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Trigili, C, Barasoain, I, Sanchez-Murcia, P.A, Bargsten, K, Redondo-Horcajo, M, Nogales, A, Gardner, N.M, Meyer, A, Naylor, G.J, Gomez-Rubio, E, Gago, F, Steinmetz, M.O, Paterson, I, Prota, A.E, Diaz, J.F.
Deposit date:2016-11-17
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Determinants of the Dictyostatin Chemotype for Tubulin Binding Affinity and Antitumor Activity Against Taxane- and Epothilone-Resistant Cancer Cells.
ACS Omega, 1, 2016
2JX2
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BU of 2jx2 by Molmil
Solution conformation of RNA-bound NELF-E RRM
Descriptor: Negative elongation factor E
Authors:Jampani, N, Schweimer, K, Wenzel, S, Woehrl, B.M, Roesch, P.
Deposit date:2007-11-02
Release date:2008-04-08
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:NELF-E RRM Undergoes Major Structural Changes in Flexible Protein Regions on Target RNA Binding
Biochemistry, 47, 2008
2KK7
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BU of 2kk7 by Molmil
NMR solution structure of the N terminal domain of subunit E (E1-52) of A1AO ATP synthase from Methanocaldococcus jannaschii
Descriptor: V-type ATP synthase subunit E
Authors:Gayen, S, Balakrishna, A, Gruber, G.
Deposit date:2009-06-16
Release date:2009-07-14
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:NMR solution structure of the N-terminal domain of subunit E (E1-52) of A1AO ATP synthase from Methanocaldococcus jannaschii
J.Bioenerg.Biomembr., 41, 2009
6U7B
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BU of 6u7b by Molmil
Structure of E. coli MS115-1 CdnC:HORMA-deltaN complex
Descriptor: ACETATE ION, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ...
Authors:Ye, Q, Corbett, K.D.
Deposit date:2019-09-02
Release date:2019-12-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:HORMA Domain Proteins and a Trip13-like ATPase Regulate Bacterial cGAS-like Enzymes to Mediate Bacteriophage Immunity.
Mol.Cell, 77, 2020
7UIB
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BU of 7uib by Molmil
Crystal structure of BoNT/E receptor binding domain in complex with SV2, VHH, and sialic acid
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-beta-neuraminic acid, ...
Authors:Liu, Z, Jin, R, Chen, P.
Deposit date:2022-03-29
Release date:2023-04-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Structural basis for botulinum neurotoxin E recognition of synaptic vesicle protein 2.
Nat Commun, 14, 2023
7UIA
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BU of 7uia by Molmil
Crystal structure of BoNT/E receptor binding domain in complex with SV2 and VHH
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Liu, Z, Jin, R, Chen, P.
Deposit date:2022-03-28
Release date:2023-04-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structural basis for botulinum neurotoxin E recognition of synaptic vesicle protein 2.
Nat Commun, 14, 2023
3DHX
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BU of 3dhx by Molmil
Crystal structure of isolated C2 domain of the methionine uptake transporter
Descriptor: IODIDE ION, Methionine import ATP-binding protein metN
Authors:Johnson, E, Kaiser, J.T, Lee, A.T, Rees, D.C.
Deposit date:2008-06-18
Release date:2008-08-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The high-affinity E. coli methionine ABC transporter: structure and allosteric regulation.
Science, 321, 2008
3DW7
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BU of 3dw7 by Molmil
Crystal Structure of the Sarcin/Ricin Domain from E. COLI 23 S rRNA, U2656-SeCH3 modified
Descriptor: Sarcin/Ricin Domain from E. Coli 23 S rRNA
Authors:Olieric, V, Rieder, U, Lang, K, Serganov, A, Schulze-Briese, C, Micura, R, Dumas, P, Ennifar, E.
Deposit date:2008-07-21
Release date:2009-03-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1 Å)
Cite:A fast selenium derivatization strategy for crystallization and phasing of RNA structures.
Rna, 15, 2009
3DW6
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BU of 3dw6 by Molmil
Crystal Structure of the Sarcin/Ricin Domain from E. COLI 23 S rRNA, U2650-SECH3 modified
Descriptor: GLYCEROL, Sarcin/Ricin Domain from E. Coli 23 S rRNA
Authors:Olieric, V, Rieder, U, Lang, K, Serganov, A, Schulze-Briese, C, Micura, R, Dumas, P, Ennifar, E.
Deposit date:2008-07-21
Release date:2009-03-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1 Å)
Cite:A fast selenium derivatization strategy for crystallization and phasing of RNA structures.
Rna, 15, 2009
3DW4
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BU of 3dw4 by Molmil
Crystal Structure of the Sarcin/Ricin Domain from E. COLI 23 S rRNA, U2650-OCH3 modified
Descriptor: GLYCEROL, Sarcin/Ricin Domain from E. Coli 23 S rRNA
Authors:Olieric, V, Rieder, U, Lang, K, Serganov, A, Schulze-Briese, C, Micura, R, Dumas, P, Ennifar, E.
Deposit date:2008-07-21
Release date:2009-03-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:A fast selenium derivatization strategy for crystallization and phasing of RNA structures.
Rna, 15, 2009
6MKF
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BU of 6mkf by Molmil
Crystal structure of penicillin binding protein 5 (PBP5) from Enterococcus faecium in the imipenem-bound form
Descriptor: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, SULFATE ION, penicillin binding protein 5 (PBP5)
Authors:Moon, T.M, Lee, C, D'Andrea, E.D, Peti, W, Page, R.
Deposit date:2018-09-25
Release date:2018-10-31
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance.
J. Biol. Chem., 293, 2018

238582

数据于2025-07-09公开中

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