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3MJY
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BU of 3mjy by Molmil
Crystal structure of dihydroorotate dehydrogenase from Leishmania major in complex with 5-Aminoorotic acid
Descriptor: 5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, ...
Authors:Pinheiro, M.P, Rocha, J.R, Cheleski, J, Montanari, C.A, Nonato, M.C.
Deposit date:2010-04-13
Release date:2011-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Novel insights for dihydroorotate dehydrogenase class 1A inhibitors discovery.
Eur.J.Med.Chem., 45, 2010
3MHU
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BU of 3mhu by Molmil
Crystal structure of dihydroorotate dehydrogenase from Leishmania major in complex with 5-Nitroorotic acid
Descriptor: 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, ...
Authors:Pinheiro, M.P, Rocha, J.R, Cheleski, J, Montanari, C.A, Nonato, M.C.
Deposit date:2010-04-08
Release date:2011-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Novel insights for dihydroorotate dehydrogenase class 1A inhibitors discovery.
Eur.J.Med.Chem., 45, 2010
5W4K
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BU of 5w4k by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with Klebsazolicin and bound to mRNA and A-, P- and E-site tRNAs at 2.7A resolution
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Metelev, M, Osterman, I.A, Ghilarov, D, Khabibullina, N.F, Yakimov, A, Shabalin, K, Utkina, I, Travin, D.Y, Komarova, E.S, Serebryakova, M, Artamonova, T, Khodorkovskii, M, Konevega, A.L, Sergiev, P.V, Severinov, K, Polikanov, Y.S.
Deposit date:2017-06-12
Release date:2017-08-30
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Klebsazolicin inhibits 70S ribosome by obstructing the peptide exit tunnel.
Nat. Chem. Biol., 13, 2017
5VP2
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BU of 5vp2 by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with madumycin II and bound to mRNA and A-, P- and E-site tRNAs at 2.8A resolution
Descriptor: 16S ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Osterman, I.A, Khabibullina, N.F, Komarova, E.S, Kasatsky, P, Kartsev, V.G, Bogdanov, A.A, Dontsova, O.A, Konevega, A.L, Sergiev, P.V, Polikanov, Y.S.
Deposit date:2017-05-04
Release date:2017-06-28
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Madumycin II inhibits peptide bond formation by forcing the peptidyl transferase center into an inactive state.
Nucleic Acids Res., 45, 2017
5WF0
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BU of 5wf0 by Molmil
70S ribosome-EF-Tu H84A complex with GTP and near-cognate tRNA (Complex C2)
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Fislage, M, Frank, J.
Deposit date:2017-07-11
Release date:2018-05-02
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM shows stages of initial codon selection on the ribosome by aa-tRNA in ternary complex with GTP and the GTPase-deficient EF-TuH84A.
Nucleic Acids Res., 46, 2018
5WFK
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BU of 5wfk by Molmil
70S ribosome-EF-Tu H84A complex with GTP and near-cognate tRNA (Complex C3)
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Fislage, M, Frank, J.
Deposit date:2017-07-12
Release date:2018-05-02
Last modified:2019-11-20
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM shows stages of initial codon selection on the ribosome by aa-tRNA in ternary complex with GTP and the GTPase-deficient EF-TuH84A.
Nucleic Acids Res., 46, 2018
5WFS
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BU of 5wfs by Molmil
70S ribosome-EF-Tu H84A complex with GTP and near-cognate tRNA (Complex C4)
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Fislage, M, Frank, J.
Deposit date:2017-07-12
Release date:2018-05-02
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryo-EM shows stages of initial codon selection on the ribosome by aa-tRNA in ternary complex with GTP and the GTPase-deficient EF-TuH84A.
Nucleic Acids Res., 46, 2018
5WDT
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BU of 5wdt by Molmil
70S ribosome-EF-Tu H84A complex with GppNHp
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Fislage, M, Brown, Z, Frank, J.
Deposit date:2017-07-06
Release date:2018-04-25
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryo-EM shows stages of initial codon selection on the ribosome by aa-tRNA in ternary complex with GTP and the GTPase-deficient EF-TuH84A.
Nucleic Acids Res., 46, 2018
5Y6P
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BU of 5y6p by Molmil
Structure of the phycobilisome from the red alga Griffithsia pacifica
Descriptor: ApcD, ApcF, LC, ...
Authors:Zhang, J, Ma, J.F, Liu, D.S, Sun, S, Sui, S.F.
Deposit date:2017-08-13
Release date:2017-11-15
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of phycobilisome from the red alga Griffithsia pacifica
Nature, 551, 2017
5WE4
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BU of 5we4 by Molmil
70S ribosome-EF-Tu wt complex with GppNHp
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Fislage, M, Brown, Z, Frank, J.
Deposit date:2017-07-07
Release date:2018-04-25
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM shows stages of initial codon selection on the ribosome by aa-tRNA in ternary complex with GTP and the GTPase-deficient EF-TuH84A.
Nucleic Acids Res., 46, 2018
7YE3
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BU of 7ye3 by Molmil
Crystal structure of Lactobacillus rhamnosus 4-deoxy-L-threo-5-hexosulose-uronate ketol-isomerase KduI complexed with MES
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-deoxy-L-threo-5-hexosulose-uronate ketol-isomerase, ZINC ION
Authors:Yamamoto, Y, Oiki, S, Takase, R, Mikami, B, Hashimoto, W.
Deposit date:2022-07-05
Release date:2023-07-05
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.553 Å)
Cite:Crystal Structures of Lacticaseibacillus 4-Deoxy-L- threo- 5-hexosulose-uronate Ketol-isomerase KduI in Complex with Substrate Analogs.
J Appl Glycosci (1999), 70, 2023
3N9J
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BU of 3n9j by Molmil
Structure of human Glutathione Transferase Pi class in complex with Ethacraplatin
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Parker, L.J, Parker, M.W.
Deposit date:2010-05-30
Release date:2011-05-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Studies of glutathione transferase P1-1 bound to a platinum(IV)-based anticancer compound reveal the molecular basis of its activation.
To be Published
6QE2
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BU of 6qe2 by Molmil
Crystal structure of Paleococcus ferrophilus monoacylglycerol lipase.
Descriptor: GLYCEROL, LAURYL DIMETHYLAMINE-N-OXIDE, Monoacylglycerol lipase
Authors:Labar, G, Demarez, M, Brandt, N, Wouters, J, Leherte, F.
Deposit date:2019-01-04
Release date:2020-02-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7461 Å)
Cite:Structure and Dynamics of an Archeal Monoglyceride Lipase from Palaeococcus ferrophilus as Revealed by Crystallography and In Silico Analysis.
Biomolecules, 11, 2021
4WDX
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BU of 4wdx by Molmil
17beta-HSD5 in complex with [4-(2-hydroxyethyl)piperidin-1-yl](5-methyl-1H-indol-2-yl)methanone
Descriptor: Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [4-(2-hydroxyethyl)piperidin-1-yl](5-methyl-1H-indol-2-yl)methanone
Authors:Amano, Y, Yamaguchi, T.
Deposit date:2014-09-09
Release date:2015-04-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structures of complexes of type 5 17 beta-hydroxysteroid dehydrogenase with structurally diverse inhibitors: insights into the conformational changes upon inhibitor binding.
Acta Crystallogr.,Sect.D, 71, 2015
5ZE0
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BU of 5ze0 by Molmil
Hairpin Forming Complex, RAG1/2-Nicked(with Dideoxy) 12RSS/23RSS complex in Mg2+
Descriptor: 1,2-ETHANEDIOL, DNA (30-MER), DNA (39-MER), ...
Authors:Kim, M.S, Chuenchor, W, Chen, X, Gellert, M, Yang, W.
Deposit date:2018-02-25
Release date:2018-04-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Cracking the DNA Code for V(D)J Recombination
Mol. Cell, 70, 2018
5ZK3
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BU of 5zk3 by Molmil
Crystal structure of rationally thermostabilized M2 muscarinic acetylcholine receptor bound with QNB
Descriptor: (3R)-1-azabicyclo[2.2.2]oct-3-yl hydroxy(diphenyl)acetate, Muscarinic acetylcholine receptor M2,Apo-cytochrome b562,Muscarinic acetylcholine receptor M2
Authors:Suno, R, Maeda, S, Yasuda, S, Yamashita, K, Hirata, K, Horita, S, Tawaramoto, M.S, Tsujimoto, H, Murata, T, Kinoshita, M, Yamamoto, M, Kobilka, B.K, Iwata, S, Kobayashi, T.
Deposit date:2018-03-23
Release date:2018-11-21
Last modified:2022-03-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural insights into the subtype-selective antagonist binding to the M2muscarinic receptor
Nat. Chem. Biol., 14, 2018
1S38
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BU of 1s38 by Molmil
CRYSTAL STRUCTURE OF TGT IN COMPLEX WITH 2-AMINO-8-METHYLQUINAZOLIN-4(3H)-ONE
Descriptor: 2-AMINO-8-METHYLQUINAZOLIN-4(3H)-ONE, ZINC ION, tRNA guanine transglycosylase
Authors:Meyer, E.A, Furler, M, Diederich, F, Brenk, R, Klebe, G.
Deposit date:2004-01-12
Release date:2004-07-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Synthesis and In vitro Evaluation of 2-Aminoquinazolin-4(3H)-one-based Inhibitors for tRNA-Guanine Transglycosylase (TGT)
HELV.CHIM.ACTA, 87, 2004
4U5Y
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BU of 4u5y by Molmil
Crystal Structure of the complex between the GNAT domain of S. lividans PAT and the acetyl-CoA synthetase C-terminal domain of S. enterica
Descriptor: Acetyl-coenzyme A synthetase, Acyl-CoA synthetase, SULFATE ION
Authors:Taylor, K.C, Tucker, A.C, Rank, K.C, Escalante-Semerena, J.C, Rayment, I.
Deposit date:2014-07-25
Release date:2014-11-19
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.926 Å)
Cite:Insights into the specificity of lysine acetyltransferases.
J.Biol.Chem., 289, 2014
5Z99
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BU of 5z99 by Molmil
Crystal structure of Sialic acid Binding protein from Haemophilus ducreyi with Neu5Ac
Descriptor: N-acetyl-beta-neuraminic acid, Putative ABC transporter periplasmic binding protein
Authors:Subramanian, R, Setty, T.G.
Deposit date:2018-02-02
Release date:2018-10-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.494 Å)
Cite:Molecular characterization of the interaction of sialic acid with the periplasmic binding protein fromHaemophilus ducreyi.
J. Biol. Chem., 293, 2018
5ZE1
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BU of 5ze1 by Molmil
Hairpin Forming Complex, RAG1/2-Nicked 12RSS/23RSS complex in 2mM Mn2+ for 10 min at 4'C
Descriptor: 1,2-ETHANEDIOL, DNA, HMGB1 A-B box, ...
Authors:Kim, M.S, Chuenchor, W, Chen, X, Gellert, M, Yang, W.
Deposit date:2018-02-25
Release date:2018-04-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Cracking the DNA Code for V(D)J Recombination
Mol. Cell, 70, 2018
5ZFJ
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BU of 5zfj by Molmil
Crystal structure of a cyclase Filc from Fischerella sp. in complex with 4-(1H-Indol-3-yl)butan-2-one
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(1~{H}-indol-3-yl)butan-2-one, CALCIUM ION, ...
Authors:Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2018-03-06
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
6Q0N
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BU of 6q0n by Molmil
Structure of the Erbin PDB domain in complex with a high-affinity peptide
Descriptor: Erbin, peptide
Authors:Singer, A.U, Teyra, J, Ernst, A, Sicheri, F, Sidhu, S.S.
Deposit date:2019-08-02
Release date:2019-11-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Comprehensive analysis of all evolutionary paths between two divergent PDZ domain specificities.
Protein Sci., 29, 2020
6Q0M
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BU of 6q0m by Molmil
Structure of Erbin PDZ derivative E-14 with a high-affinity peptide
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Singer, A.U, Teyra, J, Ernst, A, Sicheri, F, Sidhu, S.S.
Deposit date:2019-08-02
Release date:2019-11-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Comprehensive analysis of all evolutionary paths between two divergent PDZ domain specificities.
Protein Sci., 29, 2020
3QKG
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BU of 3qkg by Molmil
Crystal structure of alpha-1-microglobulin at 2.3 A resolution
Descriptor: GLYCEROL, NICKEL (II) ION, Protein AMBP
Authors:Meining, W, Skerra, A.
Deposit date:2011-02-01
Release date:2012-02-08
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The crystal structure of human alpha(1)-microglobulin reveals a potential haem-binding site.
Biochem.J., 445, 2012
4WDW
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BU of 4wdw by Molmil
17beta-HSD5 in complex with 3,6-dihydropyridin-1(2H)-yl(5-methyl-1H-indol-2-yl)methanone
Descriptor: 3,6-dihydropyridin-1(2H)-yl(5-methyl-1H-indol-2-yl)methanone, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Amano, Y, Yamaguchi, T.
Deposit date:2014-09-09
Release date:2015-04-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structures of complexes of type 5 17 beta-hydroxysteroid dehydrogenase with structurally diverse inhibitors: insights into the conformational changes upon inhibitor binding.
Acta Crystallogr.,Sect.D, 71, 2015

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