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6FN5
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BU of 6fn5 by Molmil
Crystal structure of ERK2 in complex with an adenosine derivative
Descriptor: DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, SULFATE ION, ...
Authors:Gelin, M, Labesse, G.
Deposit date:2018-02-02
Release date:2019-03-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.932 Å)
Cite:None
To be published
3DLK
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BU of 3dlk by Molmil
Crystal Structure of an engineered form of the HIV-1 Reverse Transcriptase, RT69A
Descriptor: Reverse transcriptase/ribonuclease H, SULFATE ION, p51 RT
Authors:Ho, W.C, Bauman, J.D, Himmel, D.M, Das, K, Arnold, E.
Deposit date:2008-06-27
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal engineering of HIV-1 reverse transcriptase for structure-based drug design.
Nucleic Acids Res., 36, 2008
3PCO
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BU of 3pco by Molmil
crystal structure of E. coli phenylalanine-tRNA synthetase complexed with phenylalanine and AMP
Descriptor: ADENOSINE MONOPHOSPHATE, PHENYLALANINE, Phenylalanyl-tRNA synthetase, ...
Authors:Mermershtain, I, Finarov, I, Klipcan, L, Kessler, N, Rozenberg, H, Safro, M.G.
Deposit date:2010-10-21
Release date:2011-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Idiosyncrasy and identity in the prokaryotic phe-system: crystal structure of E. coli phenylalanyl-tRNA synthetase complexed with phenylalanine and AMP.
Protein Sci., 20, 2011
4IBN
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BU of 4ibn by Molmil
Crystal structure of LC9-RNase H1, a type 1 RNase H with the type 2 active-site motif
Descriptor: Ribonuclease H
Authors:Nguyen, T.-N, You, D.-J, Kanaya, E, Koga, Y, Kanaya, S.
Deposit date:2012-12-09
Release date:2013-03-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal structure of metagenome-derived LC9-RNase H1 with atypical DEDN active site motif
Febs Lett., 587, 2013
7AZO
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BU of 7azo by Molmil
70S thermus thermophilus ribosome with bound antibiotic lead SEQ-977
Descriptor: (2R,3S,4R,5R,7S,9S,10S,11R,12S,13R)-12-(((2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-2-((S)-1-(((2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)propan-2-yl)-10-(((2S,3R,4R,6R)-3-hydroxy-4-(methoxyamino)-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3,5,7,9,11,13-hexamethyl-7-(((2-((2-nitrophenyl)sulfonamido)ethyl)carbamoyl)oxy)-6,14-dioxooxacyclotetradecan-4-yl 3-methylbutanoate, 16S rRNA, 23S rRNA, ...
Authors:Jenner, L.B, Yusupov, M, Yusupova, G.
Deposit date:2020-11-17
Release date:2022-06-01
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Discovery of natural-product-derived sequanamycins as potent oral anti-tuberculosis agents.
Cell, 186, 2023
4J1X
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BU of 4j1x by Molmil
Crystal Structure of Fe(II)-HppE with alternative substrate (S)-1-HPP
Descriptor: Epoxidase, FE (II) ION, GLYCEROL, ...
Authors:Drennan, C.L, Dey, M.
Deposit date:2013-02-03
Release date:2013-04-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mechanistic studies of an unprecedented enzyme-catalysed 1,2-phosphono-migration reaction.
Nature, 496, 2013
7AZS
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BU of 7azs by Molmil
70S thermus thermophilus ribosome with bound antibiotic lead SEQ-569
Descriptor: (2R,3S,4R,5R,7S,9S,10S,11R,12S,13R)-12-(((2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-2-((S)-1-(((2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)propan-2-yl)-10-(((2S,3R,6R,E)-3-hydroxy-4-(methoxyimino)-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3,5,7,9,11,13-hexamethyl-7-(((2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)carbamoyl)oxy)-6,14-dioxooxacyclotetradecan-4-yl 3-methylbutanoate, 16S rRNA, 23S rRNA, ...
Authors:Jenner, L.B, Yusupov, M, Yusupova, G, Rak, A.
Deposit date:2020-11-17
Release date:2022-06-08
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Discovery of natural-product-derived sequanamycins as potent oral anti-tuberculosis agents.
Cell, 186, 2023
4J1W
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BU of 4j1w by Molmil
Crystal Structure of Fe(II)-HppE with alternative substrate (R)-1-HPP
Descriptor: Epoxidase, FE (II) ION, GLYCEROL, ...
Authors:Drennan, C.L, Dey, M.
Deposit date:2013-02-03
Release date:2013-04-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Mechanistic studies of an unprecedented enzyme-catalysed 1,2-phosphono-migration reaction.
Nature, 496, 2013
8K82
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BU of 8k82 by Molmil
Cryo-EM structure of the yeast 80S ribosome with tigecycline, Not5 and P-site tRNA
Descriptor: 18S rRNA, 23S rRNA, 40S ribosomal protein S1-A, ...
Authors:Buschauer, R, Beckmann, R, Cheng, J.
Deposit date:2023-07-28
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for differential inhibition of eukaryotic ribosomes by tigecycline.
Nat Commun, 15, 2024
6N9E
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BU of 6n9e by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with a short substrate mimic CC-Pmn and bound to mRNA and P-site tRNA at 3.7A resolution
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S19, ...
Authors:Melnikov, S.V, Khabibullina, N.F, Mairhofer, E, Vargas-Rodriguez, O, Reynolds, N.M, Micura, R, Soll, D, Polikanov, Y.S.
Deposit date:2018-12-03
Release date:2018-12-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Mechanistic insights into the slow peptide bond formation with D-amino acids in the ribosomal active site.
Nucleic Acids Res., 47, 2019
6FJ0
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BU of 6fj0 by Molmil
Crystal structure of ERK2 in complex with an adenosine derivative
Descriptor: 5'-deoxy-5'-(prop-2-yn-1-ylamino)adenosine, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
Authors:Gelin, M, Labesse, G.
Deposit date:2018-01-19
Release date:2019-01-30
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.659 Å)
Cite:Crystal structure of ERK2 in complex with an adenosine derivative
To be published
3RMP
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BU of 3rmp by Molmil
Structural basis for the recognition of attP substrates by P4-like integrases
Descriptor: 5'-D(*TP*AP*AP*TP*GP*AP*CP*CP*AP*CP*CP*AP*AP*TP*A)-3', 5'-D(*TP*AP*TP*TP*GP*GP*TP*GP*GP*TP*CP*AP*TP*TP*A)-3', CP4-like integrase
Authors:Szwagierczak, A, Popowicz, G.M, Holak, T.A, Rakin, A, Antonenka, U.
Deposit date:2011-04-21
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structural basis for the recognition of attP substrates by P4-like integrases
To be Published
6FLE
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BU of 6fle by Molmil
Crystal structure of ERK2 in complex with an adenosine derivative
Descriptor: DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, SULFATE ION, ...
Authors:Gelin, M, Labesse, G.
Deposit date:2018-01-25
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystal structure of ERK2 in complex with an adenosine derivative
To be published
3PG6
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BU of 3pg6 by Molmil
The carboxyl terminal domain of human deltex 3-like
Descriptor: CITRIC ACID, DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase DTX3L, ...
Authors:Walker, J.R, Obiero, J, Kania, J, Schuler, H, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2010-10-30
Release date:2010-12-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Fold of the conserved DTC domain in Deltex proteins.
Proteins, 80, 2012
2B1F
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BU of 2b1f by Molmil
Antiparallel four-stranded coiled coil specified by a 3-3-1 hydrophobic heptad repeat
Descriptor: General control protein GCN4
Authors:Deng, Y, Liu, J, Zheng, Q, Eliezer, D, Kallenbach, N.R, Lu, M.
Deposit date:2005-09-15
Release date:2006-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Antiparallel four-stranded coiled coil specified by a 3-3-1 hydrophobic heptad repeat.
Structure, 14, 2006
3SMC
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BU of 3smc by Molmil
Macrophage Migration Inhibitory Factor (MIF) with Covalently Bound L-sulforaphane
Descriptor: CHLORIDE ION, Macrophage migration inhibitory factor, N-{4-[(R)-methylsulfinyl]butyl}thioformamide, ...
Authors:Crichlow, G.V, Lolis, E.J.
Deposit date:2011-06-27
Release date:2012-10-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural interactions dictate the kinetics of macrophage migration inhibitory factor inhibition by different cancer-preventive isothiocyanates.
Biochemistry, 51, 2012
3S4L
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BU of 3s4l by Molmil
The CRISPR-associated Cas3 HD domain protein MJ0384 from Methanocaldococcus jannaschii
Descriptor: CALCIUM ION, CAS3 Metal dependent phosphohydrolase
Authors:Petit, P, Brown, G, Yakunin, A, Edwards, A, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-05-19
Release date:2011-06-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and activity of the Cas3 HD nuclease MJ0384, an effector enzyme of the CRISPR interference.
Embo J., 30, 2011
6N9F
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BU of 6n9f by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with a short substrate mimic ACCA-DPhe and bound to mRNA and P-site tRNA at 3.7A resolution
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S19, ...
Authors:Melnikov, S.V, Khabibullina, N.F, Mairhofer, E, Vargas-Rodriguez, O, Reynolds, N.M, Micura, R, Soll, D, Polikanov, Y.S.
Deposit date:2018-12-03
Release date:2018-12-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Mechanistic insights into the slow peptide bond formation with D-amino acids in the ribosomal active site.
Nucleic Acids Res., 47, 2019
6FLV
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BU of 6flv by Molmil
Crystal structure of ERK2 in complex with an adenosine derivative
Descriptor: DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, SULFATE ION, ...
Authors:Gelin, M, Labesse, G.
Deposit date:2018-01-29
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:None
To be published
3NAL
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BU of 3nal by Molmil
SR Ca(2+)-ATPase in the HnE2 state complexed with the Thapsigargin derivative DTB
Descriptor: (3S,3aR,4S,6S,6aS,8R,9bS)-6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-4-yl dodecanoate, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Winther, A.M.L, Sonntag, Y, Olesen, C, Moller, J.V, Nissen, P.
Deposit date:2010-06-02
Release date:2010-06-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Critical roles of hydrophobicity and orientation of side chains for inactivation of sarcoplasmic reticulum Ca2+-ATPase with thapsigargin and thapsigargin analogs
J.Biol.Chem., 285, 2010
1XWS
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BU of 1xws by Molmil
Crystal Structure of the human PIM1 kinase domain
Descriptor: 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, Proto-oncogene serine/threonine-protein kinase Pim-1, SULFATE ION
Authors:Knapp, S, Debreczeni, J, Bullock, A, von Delft, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Guo, K.
Deposit date:2004-11-02
Release date:2004-11-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of human PIM1 kinase domain
To be Published
1XQZ
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BU of 1xqz by Molmil
Crystal Structure of hPim-1 kinase at 2.1 A resolution
Descriptor: Proto-oncogene serine/threonine-protein kinase Pim-1
Authors:Qian, K.C, Wang, L, Hickey, E.R, Studts, J, Barringer, K, Peng, C, Kronkaitis, A, Li, J, White, A, Mische, S, Farmer, B.
Deposit date:2004-10-13
Release date:2004-11-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis of Constitutive Activity and a Unique Nucleotide Binding Mode of Human Pim-1 Kinase.
J.Biol.Chem., 280, 2005
3MZ6
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BU of 3mz6 by Molmil
Crystal structure of D101L Fe2+ HDAC8 complexed with M344
Descriptor: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, FE (II) ION, Histone deacetylase 8, ...
Authors:Dowling, D.P, Gattis, S.G, Fierke, C.A, Christianson, D.W.
Deposit date:2010-05-11
Release date:2010-06-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of metal-substituted human histone deacetylase 8 provide mechanistic inferences on biological function.
Biochemistry, 49, 2010
6HDN
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BU of 6hdn by Molmil
Crystal structure of human ATAD2 bromodomain in complex with 3-methyl-8-((8-methyl-8-azabicyclooctan-3-yl)amino)-1,7-naphthyridin-2(1H)-one
Descriptor: 1,2-ETHANEDIOL, 3-methyl-8-((8-methyl-8-azabicyclooctan-3-yl)amino)-1,7-naphthyridin-2(1H)-one, ATPase family AAA domain-containing protein 2, ...
Authors:Chung, C.
Deposit date:2018-08-18
Release date:2018-09-26
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Aiming to Miss a Moving Target: Bromo and Extra Terminal Domain (BET) Selectivity in Constrained ATAD2 Inhibitors.
J. Med. Chem., 61, 2018
3MZ7
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BU of 3mz7 by Molmil
Crystal structure of D101L Co2+ HDAC8 complexed with M344
Descriptor: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, COBALT (II) ION, GLYCEROL, ...
Authors:Dowling, D.P, Gattis, S.G, Fierke, C.A, Christianson, D.W.
Deposit date:2010-05-11
Release date:2010-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of metal-substituted human histone deacetylase 8 provide mechanistic inferences on biological function.
Biochemistry, 49, 2010

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