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3SMQ
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BU of 3smq by Molmil
Crystal structure of protein arginine methyltransferase 3
Descriptor: 1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea, CHLORIDE ION, Protein arginine N-methyltransferase 3, ...
Authors:Dobrovetsky, E, Dong, A, Walker, J.R, Siarheyeva, A, Senisterra, G, Wasney, G.A, Smil, D, Bolshan, Y, Nguyen, K.T, Allali-Hassani, A, Hajian, T, Poda, G, Bountra, C, Weigelt, J, Edwards, A.M, Al-Awar, R, Brown, P.J, Schapira, M, Arrowsmith, C.H, Vedadi, M, Structural Genomics Consortium (SGC)
Deposit date:2011-06-28
Release date:2011-08-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:An allosteric inhibitor of protein arginine methyltransferase 3.
Structure, 20, 2012
5JX4
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BU of 5jx4 by Molmil
Crystal structure of E36-G37del mutant of the Bacillus caldolyticus cold shock protein.
Descriptor: Cold shock protein CspB, SULFATE ION
Authors:Carvajal, A, Castro-Fernandez, V, Cabrejos, D, Fuentealba, M, Pereira, H.M, Vallejos, G, Cabrera, R, Garratt, R.C, Komives, E.A, Ramirez-Sarmiento, C.A, Babul, J.
Deposit date:2016-05-12
Release date:2017-05-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Unusual dimerization of a BcCsp mutant leads to reduced conformational dynamics.
FEBS J., 284, 2017
6Z06
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BU of 6z06 by Molmil
Crystal structure of Puumala virus Gc in complex with Fab 4G2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope polyprotein, Fab 4G2 Heavy chain, ...
Authors:Rissanen, I.R, Stass, R, Krumm, S.A, Seow, J, Hulswit, R.J.G, Paesen, G.C, Hepojoki, J, Vapalahti, O, Lundkvist, A, Reynard, O, Volchkov, V, Doores, K.J, Huiskonen, J.T, Bowden, T.A.
Deposit date:2020-05-07
Release date:2020-12-30
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Molecular rationale for antibody-mediated targeting of the hantavirus fusion glycoprotein.
Elife, 9, 2020
8HVT
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BU of 8hvt by Molmil
Structure of the human CLC-7/Ostm1 complex reveals a novel state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, H(+)/Cl(-) exchange transporter 7, Osteopetrosis-associated transmembrane protein 1, ...
Authors:Zhang, Z.X, Chen, L, He, J, She, J.
Deposit date:2022-12-27
Release date:2024-01-03
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure of the human CLC-7/Ostm1 complex reveals a novel state
JUSTC, 53, 2023
5KC6
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BU of 5kc6 by Molmil
Crystal structure of Cbln1 (Val55-Gly58 deletion mutant)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cerebellin-1
Authors:Elegheert, J, Clay, J.E, Aricescu, A.R.
Deposit date:2016-06-05
Release date:2016-07-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Structural basis for integration of GluD receptors within synaptic organizer complexes.
Science, 353, 2016
5DCF
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BU of 5dcf by Molmil
C-terminal domain of XerD recombinase in complex with gamma domain of FtsK
Descriptor: Tyrosine recombinase XerD,DNA translocase FtsK
Authors:Keller, A.N, Xin, Y, Lowe, J, Grainge, I.
Deposit date:2015-08-24
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Activation of Xer-recombination at dif: structural basis of the FtsK gamma-XerD interaction.
Sci Rep, 6, 2016
3S3V
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BU of 3s3v by Molmil
human dihydrofolate reductase Q35K/N64F double mutant binary complex with trimethoprim
Descriptor: Dihydrofolate reductase, SULFATE ION, TRIMETHOPRIM
Authors:Cody, V, Pace, J, Piraino, J, Queener, S.F.
Deposit date:2011-05-18
Release date:2011-09-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Crystallographic analysis reveals a novel second binding site for trimethoprim in active site double mutants of human dihydrofolate reductase.
J.Struct.Biol., 176, 2011
3S4C
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BU of 3s4c by Molmil
Lactose phosphorylase in complex with sulfate
Descriptor: 1,4-DIETHYLENE DIOXIDE, Lactose Phosphorylase, SULFATE ION
Authors:Van Hoorebeke, A, Stout, J, Soetaert, W, Van Beeumen, J, Desmet, T, Savvides, S.
Deposit date:2011-05-19
Release date:2012-06-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Cellobiose phosphorylase: reconstructing the structural itinerary along the catalytic pathway
To be Published
5DFM
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BU of 5dfm by Molmil
Structure of Tetrahymena telomerase p19 fused to MBP
Descriptor: GLYCEROL, Maltose-binding periplasmic protein,Telomerase-associated protein 19, SULFATE ION, ...
Authors:Chan, H, Cascio, D, Sawaya, M.R, Feigon, J.
Deposit date:2015-08-27
Release date:2015-10-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Structure of Tetrahymena telomerase reveals previously unknown subunits, functions, and interactions.
Science, 350, 2015
4V6I
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BU of 4v6i by Molmil
Localization of the small subunit ribosomal proteins into a 6.1 A cryo-EM map of Saccharomyces cerevisiae translating 80S ribosome
Descriptor: 18S rRNA, 25S rRNA, 40S ribosomal protein RACK1 (RACK1), ...
Authors:Armache, J.-P, Jarasch, A, Anger, A.M, Villa, E, Becker, T, Bhushan, S, Jossinet, F, Habeck, M, Dindar, G, Franckenberg, S, Marquez, V, Mielke, T, Thomm, M, Berninghausen, O, Beatrix, B, Soeding, J, Westhof, E, Wilson, D.N, Beckmann, R.
Deposit date:2010-10-12
Release date:2014-07-09
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (8.8 Å)
Cite:Cryo-EM structure and rRNA model of a translating eukaryotic 80S ribosome at 5.5-A resolution.
Proc.Natl.Acad.Sci.USA, 107, 2010
3SJX
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BU of 3sjx by Molmil
X-ray structure of human glutamate carboxypeptidase II (the E424A inactive mutant) in complex with N-acetyl-aspartyl-methionine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Plechanovova, A, Byun, Y, Alquicer, G, Skultetyova, L, Mlcochova, P, Nemcova, A, Kim, H, Navratil, M, Mease, R, Lubkowski, J, Pomper, M, Konvalinka, J, Rulisek, L, Barinka, C.
Deposit date:2011-06-22
Release date:2011-10-05
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Novel Substrate-Based Inhibitors of Human Glutamate Carboxypeptidase II with Enhanced Lipophilicity.
J.Med.Chem., 54, 2011
9MK9
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BU of 9mk9 by Molmil
Structure of the IFIT2-IFIT3 heterodimer from Mus musculus
Descriptor: Interferon-induced protein with tetratricopeptide repeats 2, Interferon-induced protein with tetratricopeptide repeats 3
Authors:Glasner, D.R, Todd, C, Cook, B.D, DUrso, A, Khosla, S, Estrada, E, Wagner, J, Bartels, M.D, Ford, P, Prych, J, Hatch, K, Yee, B.A, Ego, K.M, Liang, Q, Holland, S.R, Case, J.B, Corbett, K.D, Diamond, M.S, Yeo, G.W, Herzik Jr, M.A, Van Nostrand, E.L, Daugherty, M.D.
Deposit date:2024-12-16
Release date:2025-03-12
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Short 5' UTRs serve as a marker for viral mRNA translation inhibition by the IFIT2-IFIT3 antiviral complex.
Biorxiv, 2025
4UOE
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BU of 4uoe by Molmil
Crystal Structure of Plasmodium Falciparum Spermidine Synthase in Complex with 5'-Deoxy-5'-Methylioadenosine and 4-Aminomethylaniline
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 4-(aminomethyl)aniline, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ...
Authors:Sprenger, J, Halander, J.C, Svensson, B, Al-Karadaghi, S, Person, L.
Deposit date:2014-06-03
Release date:2014-10-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Three-Dimensional Structures of Plasmodium Falciparum Spermidine Synthase with Bound Inhibitors Suggest New Strategies for Drug Design.
Acta Crystallogr.,Sect.D, 71, 2015
1L1F
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BU of 1l1f by Molmil
Structure of human glutamate dehydrogenase-apo form
Descriptor: Glutamate Dehydrogenase 1
Authors:Smith, T.J, Schmidt, T, Fang, J, Wu, J, Siuzdak, G, Stanley, C.A.
Deposit date:2002-02-15
Release date:2002-03-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The structure of apo human glutamate dehydrogenase details subunit communication and allostery.
J.Mol.Biol., 318, 2002
5K1M
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BU of 5k1m by Molmil
Crystal structure of oxidized Shewanella Yellow Enzyme 4 (SYE4) in complex with p-methoxyphenol
Descriptor: 4-methoxyphenol, FLAVIN MONONUCLEOTIDE, NAD(P)H:flavin oxidoreductase Sye4
Authors:Elegheert, J, Brige, A, Savvides, S.N.
Deposit date:2016-05-18
Release date:2017-06-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural dissection of Shewanella oneidensis old yellow enzyme 4 bound to a Meisenheimer complex and (nitro)phenolic ligands.
FEBS Lett., 591, 2017
5K1W
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BU of 5k1w by Molmil
Crystal structure of oxidized Shewanella Yellow Enzyme 4 (SYE4) in complex with trinitrophenol
Descriptor: FLAVIN MONONUCLEOTIDE, NAD(P)H:flavin oxidoreductase Sye4, Octadecane, ...
Authors:Elegheert, J, Brige, A, Savvides, S.N.
Deposit date:2016-05-18
Release date:2017-06-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural dissection of Shewanella oneidensis old yellow enzyme 4 bound to a Meisenheimer complex and (nitro)phenolic ligands.
FEBS Lett., 591, 2017
5K1K
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BU of 5k1k by Molmil
Crystal structure of oxidized Shewanella Yellow Enzyme 4 (SYE4) in complex with p-hydroxybenzaldehyde
Descriptor: FLAVIN MONONUCLEOTIDE, NAD(P)H:flavin oxidoreductase Sye4, Octadecane, ...
Authors:Elegheert, J, Brige, A, Savvides, S.-N.
Deposit date:2016-05-18
Release date:2017-06-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.301 Å)
Cite:Structural dissection of Shewanella oneidensis old yellow enzyme 4 bound to a Meisenheimer complex and (nitro)phenolic ligands.
FEBS Lett., 591, 2017
5JT9
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BU of 5jt9 by Molmil
Thermolysin in complex with JC106.
Descriptor: CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Krimmer, S.G, Cramer, J, Heine, A, Klebe, G.
Deposit date:2016-05-09
Release date:2016-12-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Rational Design of Thermodynamic and Kinetic Binding Profiles by Optimizing Surface Water Networks Coating Protein-Bound Ligands.
J. Med. Chem., 59, 2016
4WB6
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BU of 4wb6 by Molmil
Crystal structure of a L205R mutant of human cAMP-dependent protein kinase A (catalytic alpha subunit)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PKI (5-24), ...
Authors:Cheung, J, Ginter, C, Cassidy, M, Franklin, M.C, Rudolph, M.J, Hendrickson, W.A.
Deposit date:2014-09-02
Release date:2015-01-21
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insights into mis-regulation of protein kinase A in human tumors.
Proc.Natl.Acad.Sci.USA, 112, 2015
5JUV
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BU of 5juv by Molmil
STRUCTURE OF E298Q-BETA-GALACTOSIDASE FROM ASPERGILLUS NIGER IN COMPLEX WITH 6-b-Galactopyranosyl galactose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, PENTAETHYLENE GLYCOL, ...
Authors:Rico-Diaz, A, Ramirez-Escudero, M, Vizoso Vazquez, A, Cerdan, M.E, Becerra, M, Sanz-Aparicio, J.
Deposit date:2016-05-10
Release date:2017-04-19
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural features of Aspergillus niger beta-galactosidase define its activity against glycoside linkages.
FEBS J., 284, 2017
5JXN
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BU of 5jxn by Molmil
Thermolysin in complex with JC240.
Descriptor: CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Krimmer, S.G, Cramer, J, Heine, A, Klebe, G.
Deposit date:2016-05-13
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Rational Design of Thermodynamic and Kinetic Binding Profiles by Optimizing Surface Water Networks Coating Protein-Bound Ligands.
J. Med. Chem., 59, 2016
3S49
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BU of 3s49 by Molmil
RNA crystal structure with 2-Se-uridine modification
Descriptor: POTASSIUM ION, RNA (5'-R(*GP*UP*AP*UP*AP*(RUS)P*AP*C)-3')
Authors:Sheng, J, Gan, J, Sun, H, Hassan, A.E.H, Jiang, S, Huang, Z.
Deposit date:2011-05-19
Release date:2011-06-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Higher Specificity of RNA Base Pairing with 2-Selenouridine
To be Published
3S4B
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BU of 3s4b by Molmil
Cellobiose phosphorylase from Cellulomonas uda in complex with glucose
Descriptor: Cellobiose phosphorylase, alpha-D-glucopyranose
Authors:Van Hoorebeke, A, Stout, J, Soetaert, W, Van Beeumen, J, Desmet, T, Savvides, S.
Deposit date:2011-05-19
Release date:2012-06-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Cellobiose phosphorylase: reconstructing the structural itinerary along the catalytic pathway
To be Published
5K9I
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BU of 5k9i by Molmil
Crystal structure of c-SRC in complex with a covalent lysine probe
Descriptor: 4-[(4-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]-6-[(prop-2-yn-1-yl)carbamoyl]pyrimidin-2-yl}piperazin-1-yl)methyl]benzene-1-sulfonyl fluoride, Proto-oncogene tyrosine-protein kinase Src
Authors:Wan, X, Ouyang, S, Zhao, Q, Taunton, J.
Deposit date:2016-05-31
Release date:2017-02-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Broad-Spectrum Kinase Profiling in Live Cells with Lysine-Targeted Sulfonyl Fluoride Probes.
J. Am. Chem. Soc., 139, 2017
3S4P
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BU of 3s4p by Molmil
Crystal structure of the bacterial ribosomal decoding site complexed with an amphiphilic paromomycin O2''-ether analogue
Descriptor: (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-2-O-{2-[(2-phenylethyl)amino]ethyl}-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside, RNA (5'-R(P*GP*CP*GP*UP*CP*AP*CP*AP*CP*CP*GP*GP*UP*GP*AP*AP*GP*UP*CP*GP*C)-3')
Authors:Szychowski, J, Kondo, J, Zahr, O, Auclair, K, Westhof, E, Hanessian, S, Keillor, J.W.
Deposit date:2011-05-20
Release date:2011-09-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Inhibition of aminoglycoside-deactivating enzymes APH(3')-IIIa and AAC(6')-Ii by amphiphilic paromomycin O2''-ether analogues
Chemmedchem, 6, 2011

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