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5FYD
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BU of 5fyd by Molmil
Structural and biochemical insights into 7beta-hydroxysteroid dehydrogenase stereoselectivity
Descriptor: GLYCEROL, OXIDOREDUCTASE, SHORT CHAIN DEHYDROGENASE/REDUCTASE FAMILY PROTEIN
Authors:Savino, S, Ferrandi, E, Forneris, F, Rovida, S, Riva, S, Monti, D, Mattevi, A.
Deposit date:2016-03-07
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and Biochemical Insights Into 7Beta-Hydroxysteroid Dehydrogenase Stereoselectivity.
Proteins, 84, 2016
7AJU
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BU of 7aju by Molmil
Cryo-EM structure of the 90S-exosome super-complex (state Post-A1-exosome)
Descriptor: 13 kDa ribonucleoprotein-associated protein, 18S rRNA, 40S ribosomal protein S1-A, ...
Authors:Cheng, J, Lau, B, Flemming, D, Venuta, G.L, Berninghausen, O, Beckmann, R, Hurt, E.
Deposit date:2020-09-29
Release date:2020-12-30
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structure of the Maturing 90S Pre-ribosome in Association with the RNA Exosome.
Mol.Cell, 81, 2021
7JVQ
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BU of 7jvq by Molmil
Cryo-EM structure of apomorphine-bound dopamine receptor 1 in complex with Gs protein
Descriptor: (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol, CHOLESTEROL, D(1A) dopamine receptor, ...
Authors:Zhuang, Y, Xu, P, Mao, C, Wang, L, Krumm, B, Zhou, X.E, Huang, S, Liu, H, Cheng, X, Huang, X.-P, Sheng, D.-D, Xu, T, Liu, Y.-F, Wang, Y, Guo, J, Jiang, Y, Jiang, H, Melcher, K, Roth, B.L, Zhang, Y, Zhang, C, Xu, H.E.
Deposit date:2020-08-22
Release date:2021-02-24
Last modified:2021-03-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural insights into the human D1 and D2 dopamine receptor signaling complexes.
Cell, 184, 2021
8R6Y
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BU of 8r6y by Molmil
Structure of the SFTSV L protein stalled in a transcription-specific early elongation state with bound capped RNA [TRANSCRIPTION-EARLY-ELONGATION]
Descriptor: 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, MAGNESIUM ION, RNA (5'-R(*(M7G)*AP*AP*A)-3'), ...
Authors:Williams, H.M, Thorkelsson, S.R, Vogel, D, Busch, C, Milewski, M, Cusack, S, Grunewald, K, Quemin, E.R.J, Rosenthal, M.
Deposit date:2023-11-23
Release date:2024-04-24
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural snapshots of phenuivirus cap-snatching and transcription.
Nucleic Acids Res., 52, 2024
6E9Z
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BU of 6e9z by Molmil
DHF119 filament
Descriptor: DHF119 filament
Authors:Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D.
Deposit date:2018-08-01
Release date:2018-11-21
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:De novo design of self-assembling helical protein filaments.
Science, 362, 2018
7JVP
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BU of 7jvp by Molmil
Cryo-EM structure of SKF-83959-bound dopamine receptor 1 in complex with Gs protein
Descriptor: (1R)-6-chloro-3-methyl-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, CHOLESTEROL, D(1A) dopamine receptor, ...
Authors:Zhuang, Y, Xu, P, Mao, C, Wang, L, Krumm, B, Zhou, X.E, Huang, S, Liu, H, Cheng, X, Huang, X.-P, Sheng, D.-D, Xu, T, Liu, Y.-F, Wang, Y, Guo, J, Jiang, Y, Jiang, H, Melcher, K, Roth, B.L, Zhang, Y, Zhang, C, Xu, H.E.
Deposit date:2020-08-22
Release date:2021-02-24
Last modified:2021-03-03
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural insights into the human D1 and D2 dopamine receptor signaling complexes.
Cell, 184, 2021
7B53
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BU of 7b53 by Molmil
Crystal structure of MurE from E.coli
Descriptor: 1,2-ETHANEDIOL, UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase
Authors:Koekemoer, L, Steindel, M, Fairhead, M, Talon, R, Douangamath, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC)
Deposit date:2020-12-03
Release date:2020-12-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of MurE from E.coli
To Be Published
5FCL
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BU of 5fcl by Molmil
Crystal structure of Cas1 from Pectobacterium atrosepticum
Descriptor: CRISPR-associated endonuclease Cas1
Authors:Wilkinson, M.E, Nakatani, Y, Opel-Reading, H.K, Fineran, P.C, Krause, K.L.
Deposit date:2015-12-15
Release date:2016-03-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural plasticity and in vivo activity of Cas1 from the type I-F CRISPR-Cas system.
Biochem.J., 473, 2016
7AV9
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BU of 7av9 by Molmil
Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2
Descriptor: 1,2-ETHANEDIOL, PH-interacting protein
Authors:Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F.
Deposit date:2020-11-04
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2
To Be Published
2I9P
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BU of 2i9p by Molmil
Crystal structure of human hydroxyisobutyrate dehydrogenase complexed with NAD+
Descriptor: 3-hydroxyisobutyrate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Kavanagh, K.L, Papagrigoriou, E, Salah, E, Lukacik, P, Smee, C, Burgess, N, von Delft, F, Weigelt, J, Arrowsmith, C, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2006-09-06
Release date:2006-09-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of human hydroxyisobutyrate dehydrogenase complexed with NAD+
To be Published
6SBQ
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BU of 6sbq by Molmil
The crystal structure of PfA-M1 in complex with 7-amino-4-phenyl-5,7,8,9-tetrahydrobenzocyclohepten-6-one
Descriptor: DI(HYDROXYETHYL)ETHER, M1-family alanyl aminopeptidase, MALONATE ION, ...
Authors:Salomon, E, Schmitt, M, Mouray, E, McEwen, A.G, Torchy, M, Poussin-Courmontagne, P, Alavi, S, Tarnus, C, Cavarelli, J, Florent, I, Albrecht, S.
Deposit date:2019-07-22
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Aminobenzosuberone derivatives as PfA-M1 inhibitors: Molecular recognition and antiplasmodial evaluation.
Bioorg.Chem., 98, 2020
7AJT
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BU of 7ajt by Molmil
Cryo-EM structure of the 90S-exosome super-complex (state Pre-A1-exosome)
Descriptor: 13 kDa ribonucleoprotein-associated protein, 18S rRNA, 40S ribosomal protein S1-A, ...
Authors:Cheng, J, Lau, B, Flemming, D, Venuta, G.L, Berninghausen, O, Beckmann, R, Hurt, E.
Deposit date:2020-09-29
Release date:2020-12-30
Last modified:2021-02-03
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structure of the Maturing 90S Pre-ribosome in Association with the RNA Exosome.
Mol.Cell, 81, 2021
5DW7
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BU of 5dw7 by Molmil
Crystal structure of the unliganded geosmin synthase N-terminal domain from Streptomyces coelicolor
Descriptor: Germacradienol/geosmin synthase
Authors:Lombardi, P.M, Harris, G.G, Pemberton, T.A, Matsui, T, Weiss, T.M, Cole, K.E, Koksal, M, Murphy, F.V, Vedula, L.S, Chou, W.K, Cane, D.E, Christianson, D.W.
Deposit date:2015-09-22
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.202 Å)
Cite:Structural Studies of Geosmin Synthase, a Bifunctional Sesquiterpene Synthase with alpha alpha Domain Architecture That Catalyzes a Unique Cyclization-Fragmentation Reaction Sequence.
Biochemistry, 54, 2015
5FTG
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BU of 5ftg by Molmil
Human choline kinase a1 in complex with compound 1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1- yl]methyl]phenoxy]ethoxy]phenyl]methyl]-N,N- dimethyl-pyridin-4-amine (compound 10a)
Descriptor: 1,2-ETHANEDIOL, 1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1-yl]methyl]phenoxy]ethoxy]phenyl]methyl]-N,N-dimethyl-pyridin-4-amine, CHOLINE KINASE ALPHA
Authors:Schiaffino-Ortega, S, Baglioni, E, Mariotto, E, Bortolozzi, R, Serran-Aguilera, L, Rios-Marco, P, Carrasco-Jimenez, M.P, Gallo, M.A, Hurtado-Guerrero, R, Marco, C, Basso, G, Viola, G, Entrena, A, Lopez-Cara, L.C.
Deposit date:2016-01-13
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Design, Synthesis, Crystallization and Biological Evaluation of New Symmetrical Biscationic Compounds as Selective Inhibitors of Human Choline Kinase Alpha1 (Chokalpha1)
Sci.Rep., 6, 2016
4TNN
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BU of 4tnn by Molmil
Crystal structure of Escherichia coli protein YodA in complex with Ni - artifact of purification.
Descriptor: Metal-binding lipocalin, NICKEL (II) ION, SULFATE ION
Authors:Gasiorowska, O.A, Cymborowski, M.T, Handing, K.B, Shabalin, I.G, Zasadzinska, E, Niedzialkowska, E, Porebski, P.J, Minor, W.
Deposit date:2014-06-04
Release date:2014-06-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.951 Å)
Cite:Protein purification and crystallization artifacts: The tale usually not told.
Protein Sci., 25, 2016
1SD1
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BU of 1sd1 by Molmil
STRUCTURE OF HUMAN 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE COMPLEXED WITH FORMYCIN A
Descriptor: (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol, 5'-methylthioadenosine phosphorylase
Authors:Lee, J.E, Settembre, E.C, Cornell, K.A, Riscoe, M.K, Sufrin, J.R, Ealick, S.E, Howell, P.L.
Deposit date:2004-02-12
Release date:2004-05-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structural Comparison of MTA Phosphorylase and MTA/AdoHcy Nucleosidase Explains Substrate Preferences and Identifies Regions Exploitable for Inhibitor Design.
Biochemistry, 43, 2004
1CY9
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BU of 1cy9 by Molmil
CRYSTAL STRUCTURE OF THE 30 KDA FRAGMENT OF E. COLI DNA TOPOISOMERASE I. MONOCLINIC FORM
Descriptor: DNA TOPOISOMERASE I
Authors:Feinberg, H, Lima, C, Mondragon, A.
Deposit date:1999-08-31
Release date:2000-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Conformational changes in E. coli DNA topoisomerase I.
Nat.Struct.Biol., 6, 1999
8F48
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BU of 8f48 by Molmil
Human CASQ1 mutant - S248E
Descriptor: Calsequestrin-1
Authors:Mayfield, J.E, Dixon, J.E.
Deposit date:2022-11-10
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Human CASQ1 mutant - S248E
To Be Published
7AHJ
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BU of 7ahj by Molmil
Crystal structure of PPARgamma V290M mutant ligand binding domain in complex with farglitazar
Descriptor: 2-(2-BENZOYL-PHENYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Schoenmakers, E, Schwabe, B.T.W, Fairall, L, Chatterjee, K, Schwabe, J.W.R.
Deposit date:2020-09-24
Release date:2020-10-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of PPARgamma V290M mutant ligand binding domain in complex with farglitazar
To Be Published
4Y8Q
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BU of 4y8q by Molmil
Yeast 20S proteasome beta7-delta7_Cter mutant in complex with Ac-PAY-ep
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ac-PAY-ep, CHLORIDE ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2015-02-16
Release date:2015-06-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors.
J.Am.Chem.Soc., 137, 2015
1SD2
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BU of 1sd2 by Molmil
STRUCTURE OF HUMAN 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE COMPLEXED WITH 5'-METHYLTHIOTUBERCIDIN
Descriptor: 2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-METHYLSULFANYLMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, 5'-methylthioadenosine phosphorylase, SULFATE ION
Authors:Lee, J.E, Settembre, E.C, Cornell, K.A, Riscoe, M.K, Sufrin, J.R, Ealick, S.E, Howell, P.L.
Deposit date:2004-02-12
Release date:2004-05-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Comparison of MTA Phosphorylase and MTA/AdoHcy Nucleosidase Explains Substrate Preferences and Identifies Regions Exploitable for Inhibitor Design.
Biochemistry, 43, 2004
4Y75
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BU of 4y75 by Molmil
Yeast 20S proteasome in complex with Ac-PAF-ep
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ac-PAF-ep, CHLORIDE ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2015-02-13
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors.
J.Am.Chem.Soc., 137, 2015
7BXT
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BU of 7bxt by Molmil
The cryo-EM structure of CENP-A nucleosome in complex with CENP-C peptide and CENP-N N-terminal domain
Descriptor: CENP-C, DNA (145-mer), Histone H2A type 1-B/E, ...
Authors:Ariyoshi, M, Makino, F, Fukagawa, T.
Deposit date:2020-04-20
Release date:2021-02-10
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Cryo-EM structure of the CENP-A nucleosome in complex with phosphorylated CENP-C.
Embo J., 40, 2021
4Y95
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BU of 4y95 by Molmil
Crystal structure of the kinase domain of Bruton's tyrosine kinase with mutations in the activation loop
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 4-tert-butyl-N-[2-methyl-3-(4-methyl-6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-5-oxo-4,5-dihydropyrazin-2-yl)phenyl]benzamide, BETA-MERCAPTOETHANOL, ...
Authors:Wang, Q, Rosen, C.E, Kuriyan, J.
Deposit date:2015-02-16
Release date:2015-03-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Autoinhibition of Bruton's tyrosine kinase (Btk) and activation by soluble inositol hexakisphosphate.
Elife, 4, 2015
1I7B
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BU of 1i7b by Molmil
HUMAN S-ADENOSYLMETHIONINE DECARBOXYLASE WITH COVALENTLY BOUND PYRUVOYL GROUP AND COVALENTLY BOUND S-ADENOSYLMETHIONINE METHYL ESTER
Descriptor: 1,4-DIAMINOBUTANE, S-ADENOSYLMETHIONINE DECARBOXYLASE ALPHA CHAIN, S-ADENOSYLMETHIONINE DECARBOXYLASE BETA CHAIN, ...
Authors:Tolbert, W.D, Ekstrom, J.L, Mathews, I.I, Secrist III, J.A, Pegg, A.E, Ealick, S.E.
Deposit date:2001-03-08
Release date:2001-08-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The structural basis for substrate specificity and inhibition of human S-adenosylmethionine decarboxylase.
Biochemistry, 40, 2001

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