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5FKE
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BU of 5fke by Molmil
SAM-I riboswitch bearing the H. marismortui Kt-7 variant 3bn is GU
Descriptor: BARIUM ION, POTASSIUM ION, S-ADENOSYLMETHIONINE, ...
Authors:Huang, L, Lilley, D.M.J.
Deposit date:2015-10-15
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A Critical Base Pair in K-Turns Determines the Conformational Class Adopted, and Correlates with Biological Function.
Nucleic Acids Res., 44, 2016
5MQJ
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BU of 5mqj by Molmil
Crystal structure of dCK mutant C3S
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Deoxycytidine kinase, MAGNESIUM ION, ...
Authors:Saez-Ayala, M, Rebuffet, E, Hammam, K, Gros, L, Lopez, S, Hajem, B, Humbert, M, Baudelet, E, Audebert, S, Betzi, S, Lugari, A, Combes, S, Pez, D, Letard, S, Mansfield, C, Moussy, A, de Sepulveda, P, Morelli, X, Dubreuil, P.
Deposit date:2016-12-20
Release date:2017-11-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Dual protein kinase and nucleoside kinase modulators for rationally designed polypharmacology.
Nat Commun, 8, 2017
5G0M
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BU of 5g0m by Molmil
beta-glucuronidase with an activity-based probe (N-acyl cyclophellitol aziridine) bound
Descriptor: (1S,2R,3R,4S,6S)-6-[(8-azidooctanoyl)amino]-2,3,4-trihydroxycyclohexane-1-carboxylate, BETA-GLUCURONIDASE, PHOSPHATE ION
Authors:Jin, Y, Wu, L, Jiang, J.B, Overkleeft, H.S, Davies, G.J.
Deposit date:2016-03-21
Release date:2017-04-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Structure of a Bacteria Beta-Glucuronidase in Gh79 Family
To be Published
5FXY
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BU of 5fxy by Molmil
Structure of the human RBBP4:MTA1(464-546) complex
Descriptor: HISTONE-BINDING PROTEIN RBBP4, METASTASIS-ASSOCIATED PROTEIN MTA1
Authors:Millard, C.J, Varma, N, Fairall, L, Schwabe, J.W.R.
Deposit date:2016-03-03
Release date:2016-05-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The structure of the core NuRD repression complex provides insights into its interaction with chromatin.
Elife, 5, 2016
6P23
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BU of 6p23 by Molmil
Structure of a nested set of N-terminally extended MHC I-peptides provide novel insights into antigen processing presentation
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-8 alpha chain, ...
Authors:Li, L, Batliwala, M, Bouvier, M.
Deposit date:2019-05-20
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.595 Å)
Cite:ERAP1 enzyme-mediated trimming and structural analyses of MHC I-bound precursor peptides yield novel insights into antigen processing and presentation.
J.Biol.Chem., 294, 2019
6P28
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BU of 6p28 by Molmil
Crystal structure of the MIR domain (aa 337-532) of the S. cerevisiae mannosyltransferase Pmt2
Descriptor: Dolichyl-phosphate-mannose--protein mannosyltransferase 2
Authors:Bai, L, Li, H.
Deposit date:2019-05-21
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure of the eukaryotic protein O-mannosyltransferase Pmt1-Pmt2 complex.
Nat.Struct.Mol.Biol., 26, 2019
5FK5
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BU of 5fk5 by Molmil
SAM-I riboswitch bearing the H. marismortui Kt-7 variant 3bn is AA
Descriptor: BARIUM ION, POTASSIUM ION, S-ADENOSYLMETHIONINE, ...
Authors:Huang, L, Lilley, D.M.J.
Deposit date:2015-10-14
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.315 Å)
Cite:A Critical Base Pair in K-Turns Determines the Conformational Class Adopted, and Correlates with Biological Function.
Nucleic Acids Res., 44, 2016
5FSY
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BU of 5fsy by Molmil
Crystal structure of Trypanosoma brucei macrodomain in complex with ADP-ribose
Descriptor: MACRODOMAIN, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
Authors:Haikarainen, T, Lehtio, L.
Deposit date:2016-01-08
Release date:2016-04-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Proximal Adp-Ribose Hydrolysis in Trypanosomatids is Catalyzed by a Macrodomain.
Sci.Rep., 6, 2016
6P4F
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BU of 6p4f by Molmil
Crystal structure of the XPB-Bax1-forked DNA ternary complex
Descriptor: CHLORIDE ION, DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*AP*AP*CP*AP*TP*CP*CP*TP*TP*TP*GP*CP*TP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*GP*TP*AP*GP*GP*TP*TP*TP*CP*CP*AP*TP*GP*TP*TP*GP*AP*GP*TP*CP*A)-3'), ...
Authors:He, F, Hilario, E, Fan, L.
Deposit date:2019-05-27
Release date:2020-06-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.55 Å)
Cite:Structural basis of the XPB helicase-Bax1 nuclease complex interacting with the repair bubble DNA.
Nucleic Acids Res., 48, 2020
6P9E
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BU of 6p9e by Molmil
Crystal structure of IL-36gamma complexed to A-552
Descriptor: (2S)-2-{[4-(3-amino-4-methylphenyl)-6-methylpyrimidin-2-yl]oxy}-3-methoxy-3,3-diphenylpropanoic acid, Interleukin-36 gamma
Authors:Argiriadi, M.A, Todorovic, T, Su, Z, Putman, B, Kakavas, S.J, Salte, K.M, McDonald, H.A, Wetter, J.B, Paulsboe, S.E, Sun, Q, Gerstein, C.E, Medina, L, Sielaff, B, Sadhukhan, R, Stockmann, H, Richardson, P.L, Qiu, W, Henry, R.F, Herold, J.M, Shotwell, J.B, McGaraughty, S.P, Honore, P, Gopalakrishnan, S.M, Sun, C.C, Scott, V.E.
Deposit date:2019-06-10
Release date:2019-06-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Small Molecule IL-36 gamma Antagonist as a Novel Therapeutic Approach for Plaque Psoriasis.
Sci Rep, 9, 2019
6PA0
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BU of 6pa0 by Molmil
Structure of the G77A mutant in Sodium Chloride
Descriptor: Antibody HEAVY fragment, Antibody LIGHT fragment, DIACYL GLYCEROL, ...
Authors:Cuello, L.G, Guan, L.
Deposit date:2019-06-11
Release date:2019-08-07
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure, function, and ion-binding properties of a K+channel stabilized in the 2,4-ion-bound configuration.
Proc.Natl.Acad.Sci.USA, 116, 2019
6PCU
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BU of 6pcu by Molmil
VP8* of a G2P[4] human rotavirus in complex with scFv antibody 9
Descriptor: GLYCEROL, Outer capsid protein VP4, SULFATE ION, ...
Authors:Hu, L, Venkataram Prasad, B.V.
Deposit date:2019-06-18
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Human VP8* mAbs neutralize rotavirus selectively in human intestinal epithelial cells.
J.Clin.Invest., 130, 2019
7O2L
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BU of 7o2l by Molmil
Yeast 20S proteasome in complex with the covalently bound inhibitor b-lactone (2R,3S)-3-isopropyl-4-oxo-2-oxetane-carboxylate (IOC)
Descriptor: (2 {R},3 {S})-3-methanoyl-4-methyl-2-hydroxy-pentanoic acid, 20S proteasome, BJ4_G0020160.mRNA.1.CDS.1, ...
Authors:Shi, Y.M, Hirschmann, M, Shi, Y.N, Shabbir, A, Abebew, D, Tobias, N.J, Gruen, P, Crames, J.J, Poeschel, L, Kuttenlochner, W, Richter, C, Herrmann, J, Mueller, R, Thanwisai, A, Pidot, S.J, Stinear, T.P, Groll, M, Kim, Y, Bode, H.
Deposit date:2021-03-30
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Global analysis of biosynthetic gene clusters reveals conserved and unique natural products in entomopathogenic nematode-symbiotic bacteria.
Nat.Chem., 14, 2022
5MDU
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BU of 5mdu by Molmil
Structure of the RNA recognition motif (RRM) of Seb1 from S. pombe.
Descriptor: CHLORIDE ION, GLYCEROL, Rpb7-binding protein seb1, ...
Authors:Wittmann, S, Renner, M, El Omari, K, Adams, O, Vasiljeva, L, Grimes, J.
Deposit date:2016-11-13
Release date:2017-04-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:The conserved protein Seb1 drives transcription termination by binding RNA polymerase II and nascent RNA.
Nat Commun, 8, 2017
6PDM
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BU of 6pdm by Molmil
Crystal structure of Human Protein Arginine Methyltransferase 9 (PRMT9)
Descriptor: Protein arginine N-methyltransferase 9, UNKNOWN ATOM OR ION
Authors:Halabelian, L, Tempel, W, Zeng, H, Li, Y, Seitova, A, Hutchinson, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2019-06-19
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structure of Human Protein Arginine Methyltransferase 9 (PRMT9)
To Be Published
5ME0
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BU of 5me0 by Molmil
Structure of the 30S Pre-Initiation Complex 1 (30S IC-1) Stalled by GE81112
Descriptor: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Lopez-Alonso, J.P, Fabbretti, A, Kaminishi, T, Iturrioz, I, Brandi, L, Gil Carton, D, Gualerzi, C, Fucini, P, Connell, S.
Deposit date:2016-11-14
Release date:2017-01-11
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (13.5 Å)
Cite:Structure of a 30S pre-initiation complex stalled by GE81112 reveals structural parallels in bacterial and eukaryotic protein synthesis initiation pathways.
Nucleic Acids Res., 45, 2017
5FUB
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BU of 5fub by Molmil
Crystal Structure of zebrafish Protein Arginine Methyltransferase 2 catalytic domain with SAH
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Cura, V, Troffer-Charlier, N, Marechal, N, Bonnefond, L, Cavarelli, J.
Deposit date:2016-01-22
Release date:2016-11-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:Structural studies of protein arginine methyltransferase 2 reveal its interactions with potential substrates and inhibitors.
FEBS J., 284, 2017
5MBR
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BU of 5mbr by Molmil
Quadruplex with flipped tetrad formed by a human telomeric sequence
Descriptor: G-quadruplex formed by a human telomeric sequence modified with 2'-fluoro-2'-deoxyriboguanosine
Authors:Dickerhoff, J, Haase, L, Langel, W, Weisz, K.
Deposit date:2016-11-08
Release date:2017-04-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Tracing Effects of Fluorine Substitutions on G-Quadruplex Conformational Changes.
ACS Chem. Biol., 12, 2017
5FD3
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BU of 5fd3 by Molmil
Structure of Lin54 tesmin domain bound to DNA
Descriptor: DNA (5'-D(*CP*AP*GP*TP*TP*TP*CP*AP*AP*AP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*TP*TP*TP*GP*AP*AP*AP*CP*T)-3'), Protein lin-54 homolog, ...
Authors:Marceau, A.H, Felthousen, J.G, Goetsch, P.D, Lee, H, Tripathi, S.M, Strome, S, Litovchick, L, Rubin, S.M.
Deposit date:2015-12-15
Release date:2016-08-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structural basis for LIN54 recognition of CHR elements in cell cycle-regulated promoters.
Nat Commun, 7, 2016
5MCR
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BU of 5mcr by Molmil
Quadruplex with flipped tetrad formed by an artificial sequence
Descriptor: Artificial quadruplex with propeller, diagonal and lateral loop
Authors:Dickerhoff, J, Haase, L, Langel, W, Weisz, K.
Deposit date:2016-11-10
Release date:2017-04-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Tracing Effects of Fluorine Substitutions on G-Quadruplex Conformational Changes.
ACS Chem. Biol., 12, 2017
5F81
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BU of 5f81 by Molmil
Acoustic injectors for drop-on-demand serial femtosecond crystallography
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Roessler, C.G, Agarwal, R, Allaire, M, Alonso-Mori, R, Andi, B, Bachega, J.F.R, Bommer, M, Brewster, A.S, Browne, M.C, Chatterjee, R, Cho, E, Cohen, A.E, Cowan, M, Datwani, S, Davidson, V.L, Defever, J, Eaton, B, Ellson, R, Feng, Y, Ghislain, L.P, Glownia, J.M, Han, G, Hattne, J, Hellmich, J, Heroux, A, Ibrahim, M, Kern, J, Kuczewski, A, Lemke, H.T, Liu, P, Majlof, L, McClintock, W.M, Myers, S, Nelsen, S, Olechno, J, Orville, A.M, Sauter, N.K, Soares, A.S, Soltis, M.S, Song, H, Stearns, R.G, Tran, R, Tsai, Y, Uervirojnangkoorn, M, Wilmot, C.M, Yachandra, V, Yano, J, Yukl, E.T, Zhu, D, Zouni, A.
Deposit date:2015-12-08
Release date:2016-02-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Acoustic Injectors for Drop-On-Demand Serial Femtosecond Crystallography.
Structure, 24, 2016
5F8X
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BU of 5f8x by Molmil
The crystal structure of human plasma kallikrein in complex with its peptide inhibitor pkalin-3
Descriptor: CYS-PRO-ALA-ARG-PHE-M70-ALA-LEU-TRP-CYS, Plasma kallikrein, SULFATE ION, ...
Authors:Xu, M, Jiang, L, Xu, P, Luo, Z, Andreasen, P, Huang, M.
Deposit date:2015-12-09
Release date:2016-12-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The Crystal Structure Of Human Plasma Kallikrein In Complex With Its Peptide Inhibitor Pkalin-3
To Be Published
5FES
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BU of 5fes by Molmil
HydE from T. maritima in complex with (2R,4R)-MeSeTDA
Descriptor: (2~{R},4~{R})-2-methyl-1,3-selenazolidine-2,4-dicarboxylic acid, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, ...
Authors:Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y.
Deposit date:2015-12-17
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
5FF2
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BU of 5ff2 by Molmil
HydE from T. maritima in complex with (2R,4R)-TDA
Descriptor: (2~{R},4~{R})-1,3-thiazolidine-2,4-dicarboxylic acid, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, ...
Authors:Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y.
Deposit date:2015-12-17
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
5FFB
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BU of 5ffb by Molmil
CopM in the apo form
Descriptor: CopM
Authors:Zhao, S, Wang, X, Liu, L.
Deposit date:2015-12-18
Release date:2016-09-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Structural basis for copper/silver binding by the Synechocystis metallochaperone CopM.
Acta Crystallogr D Struct Biol, 72, 2016

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