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4XHV
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BU of 4xhv by Molmil
Crystal structure of Drosophila Spinophilin-PDZ and a C-terminal peptide of Neurexin
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, LP20995p, ...
Authors:Driller, J.H, Muhammad, K.G.H, Reddy, S, Rey, U, Boehme, M.A, Hollmann, C, Ramesh, N, Depner, H, Luetzkendorf, J, Matkovic, T, Bergeron, D, Quentin, C, Schmoranzer, J, Goettfert, F, Holt, M, Wahl, M.C, Hell, S.W, Walter, A, Sigrist, S.J, Loll, B.
Deposit date:2015-01-06
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Presynaptic spinophilin tunes neurexin signalling to control active zone architecture and function.
Nat Commun, 6, 2015
4XNE
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BU of 4xne by Molmil
Crystal structure of ERK2 in complex with an inhibitor
Descriptor: 1-phenyl-1H-1,2,4-triazole-3,5-diamine, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Gelin, M, Allemand, F, Labesse, G, Guichou, J.F.
Deposit date:2015-01-15
Release date:2015-08-12
Last modified:2015-08-19
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
4U03
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BU of 4u03 by Molmil
Structure of the vibrio cholerae di-nucleotide cyclase (DncV) in complex with GTP and 5MTHFGLU2
Descriptor: Cyclic AMP-GMP synthase, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Zhu, D.Y, Xiang, Y.
Deposit date:2014-07-11
Release date:2014-09-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.041 Å)
Cite:Structural Biochemistry of a Vibrio cholerae Dinucleotide Cyclase Reveals Cyclase Activity Regulation by Folates.
Mol.Cell, 55, 2014
4U0M
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BU of 4u0m by Molmil
Structure of the Vibrio cholerae di-nucleotide cyclase (DncV) mutant D193N in complex with ATP, GTP and 5MTHFGLU2
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cyclic AMP-GMP synthase, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Zhu, D, Xiang, Y.
Deposit date:2014-07-12
Release date:2014-09-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Biochemistry of a Vibrio cholerae Dinucleotide Cyclase Reveals Cyclase Activity Regulation by Folates.
Mol.Cell, 55, 2014
6SM0
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BU of 6sm0 by Molmil
Venus 66 p-Azido-L-Phenylalanin (azF) variant, dark grown
Descriptor: Green fluorescent protein, OXYGEN MOLECULE, SULFATE ION, ...
Authors:Rizkallah, P.J, Al Maslookhi, H.S, Jones, D.D.
Deposit date:2019-08-21
Release date:2021-02-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Stalling chromophore synthesis of the fluorescent protein Venus reveals the molecular basis of the final oxidation step.
Chem Sci, 12, 2021
4XLQ
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BU of 4xlq by Molmil
Crystal structure of T.aquaticus transcription initiation complex containing upstream fork (-11 base-paired) promoter
Descriptor: DNA (26-MER), DNA (30-MER), DNA-directed RNA polymerase subunit alpha, ...
Authors:Bae, B, Darst, S.A.
Deposit date:2015-01-13
Release date:2015-09-23
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (4.6 Å)
Cite:Structure of a bacterial RNA polymerase holoenzyme open promoter complex.
Elife, 4, 2015
4XP2
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BU of 4xp2 by Molmil
Crystal structure of ERK2 in complex with an inhibitor
Descriptor: 1-phenyl-1H-1,2,4-triazole-3,5-diamine, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
Authors:Gelin, M, Allemand, F, Labesse, G, Guichou, J.F.
Deposit date:2015-01-16
Release date:2015-08-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.748 Å)
Cite:Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
6Q7S
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BU of 6q7s by Molmil
ERK2 mini-fragment binding
Descriptor: Mitogen-activated protein kinase 1, PHENOL, SULFATE ION
Authors:O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H.
Deposit date:2018-12-13
Release date:2019-06-26
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
6SHX
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BU of 6shx by Molmil
DNA mismatch repair proteins MLH1 and MLH3
Descriptor: DNA mismatch repair protein MLH1, DNA mismatch repair protein MLH3, ZINC ION
Authors:Dai, J, Chervy, P, Legrand, P, Ropars, V, Charbonnier, J.B.
Deposit date:2019-08-08
Release date:2021-05-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis of the dual role of the Mlh1-Mlh3 endonuclease in MMR and in meiotic crossover formation.
Proc.Natl.Acad.Sci.USA, 118, 2021
6SNS
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BU of 6sns by Molmil
DNA mismatch repair proteins MLH1 and MLH3
Descriptor: DNA mismatch repair protein MLH1, DNA mismatch repair protein MLH3, ZINC ION
Authors:Dai, J, Chervy, P, Legrand, P, Ropars, V, Charbonnier, J.B.
Deposit date:2019-08-27
Release date:2021-05-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular basis of the dual role of the Mlh1-Mlh3 endonuclease in MMR and in meiotic crossover formation.
Proc.Natl.Acad.Sci.USA, 118, 2021
6SNV
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BU of 6snv by Molmil
DNA mismatch repair proteins MLH1 and MLH3
Descriptor: DNA mismatch repair protein MLH1, DNA mismatch repair protein MLH3, ZINC ION
Authors:Dai, J, Chervy, P, Legrand, P, Ropars, V, Charbonnier, J.B.
Deposit date:2019-08-27
Release date:2021-05-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular basis of the dual role of the Mlh1-Mlh3 endonuclease in MMR and in meiotic crossover formation.
Proc.Natl.Acad.Sci.USA, 118, 2021
2NWM
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BU of 2nwm by Molmil
Solution structure of the first SH3 domain of human Vinexin and its interaction with the peptides from Vinculin
Descriptor: Vinexin
Authors:Zhang, J, Yao, B, Wu, J, Shi, Y.
Deposit date:2006-11-15
Release date:2007-04-24
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of the first SH3 domain of human vinexin and its interaction with vinculin peptides
Biochem.Biophys.Res.Commun., 357, 2007
4Y1M
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BU of 4y1m by Molmil
An Escherichia coli yybP-ykoY Mn riboswitch in the Mn2+-free state
Descriptor: E. coli yybP-ykoY riboswitch, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Price, I.R, Ke, A.
Deposit date:2015-02-08
Release date:2015-04-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:Mn(2+)-Sensing Mechanisms of yybP-ykoY Orphan Riboswitches.
Mol.Cell, 57, 2015
6Q7T
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BU of 6q7t by Molmil
ERK2 mini-fragment binding
Descriptor: 1,2-oxazol-3-amine, Mitogen-activated protein kinase 1, SULFATE ION
Authors:O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H.
Deposit date:2018-12-13
Release date:2019-06-26
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
6TD2
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BU of 6td2 by Molmil
Mus musculus Acetylcholinesterase in complex with N-(2-(diethylamino)ethyl)-1-(4-(trifluoromethyl)phenyl)methanesulfonamide
Descriptor: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Forsgren, N, Ekstrom, F.
Deposit date:2019-11-07
Release date:2020-10-14
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Physical Mechanisms Governing Substituent Effects on Arene-Arene Interactions in a Protein Milieu.
J.Phys.Chem.B, 124, 2020
6QAH
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BU of 6qah by Molmil
ERK2 mini-fragment binding
Descriptor: 1-azanylpropylideneazanium, Mitogen-activated protein kinase 1, SULFATE ION
Authors:O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H.
Deposit date:2018-12-19
Release date:2019-06-26
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
6T58
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BU of 6t58 by Molmil
Structure determination of the transactivation domain of p53 in complex with S100A4 using annexin A2 as a crystallization chaperone
Descriptor: CALCIUM ION, Cellular tumor antigen p53,Protein S100-A4,Protein S100-A4,Annexin A2, GLYCEROL
Authors:Ecsedi, P, Gogl, G, Nyitray, L.
Deposit date:2019-10-15
Release date:2020-05-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure Determination of the Transactivation Domain of p53 in Complex with S100A4 Using Annexin A2 as a Crystallization Chaperone.
Structure, 28, 2020
6R1T
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BU of 6r1t by Molmil
Structure of LSD2/NPAC-linker/nucleosome core particle complex: Class 1, free nuclesome
Descriptor: DNA (147-MER), HISTONE H2A, Histone H2A, ...
Authors:Marabelli, C, Pilotto, S, Chittori, S, Subramaniam, S, Mattevi, A.
Deposit date:2019-03-15
Release date:2019-04-24
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.02 Å)
Cite:A Tail-Based Mechanism Drives Nucleosome Demethylation by the LSD2/NPAC Multimeric Complex.
Cell Rep, 27, 2019
6R1U
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BU of 6r1u by Molmil
Structure of LSD2/NPAC-linker/nucleosome core particle complex: Class 2
Descriptor: DNA (147-MER), FLAVIN-ADENINE DINUCLEOTIDE, Histone H2A, ...
Authors:Marabelli, C, Pilotto, S, Chittori, S, Subramaniam, S, Mattevi, A.
Deposit date:2019-03-15
Release date:2019-04-24
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.36 Å)
Cite:A Tail-Based Mechanism Drives Nucleosome Demethylation by the LSD2/NPAC Multimeric Complex.
Cell Rep, 27, 2019
6Q9A
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BU of 6q9a by Molmil
Structure of tmRNA SmpB bound past E site of E. coli 70S ribosome
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Rae, C.D.
Deposit date:2018-12-17
Release date:2019-04-17
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:How a circularized tmRNA moves through the ribosome.
Science, 363, 2019
6R25
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BU of 6r25 by Molmil
Structure of LSD2/NPAC-linker/nucleosome core particle complex: Class 3
Descriptor: DNA (147-MER), FLAVIN-ADENINE DINUCLEOTIDE, H2B, ...
Authors:Marabelli, C, Pilotto, S, Chittori, S, Subramaniam, S, Mattevi, A.
Deposit date:2019-03-15
Release date:2019-04-24
Method:ELECTRON MICROSCOPY (4.61 Å)
Cite:A Tail-Based Mechanism Drives Nucleosome Demethylation by the LSD2/NPAC Multimeric Complex.
Cell Rep, 27, 2019
6OUO
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BU of 6ouo by Molmil
RF2 accommodated state bound 70S complex at long incubation time
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Fu, Z, Indrisiunaite, G, Kaledhonkar, S, Shah, B, Sun, M, Chen, B, Grassucci, R.A, Ehrenberg, M, Frank, J.
Deposit date:2019-05-05
Release date:2019-06-19
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:The structural basis for release-factor activation during translation termination revealed by time-resolved cryogenic electron microscopy.
Nat Commun, 10, 2019
4XJ0
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BU of 4xj0 by Molmil
Crystal structure of ERK2 in complex with an inhibitor 14K
Descriptor: 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2015-01-08
Release date:2015-09-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Discovery of highly potent, selective, and efficacious small molecule inhibitors of ERK1/2.
J.Med.Chem., 58, 2015
6RCU
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BU of 6rcu by Molmil
PfRH5 bound to monoclonal antibodies R5.004 and R5.016
Descriptor: R5.004 heavy chain, R5.004 light chain, R5.016 heavy chain, ...
Authors:Alanine, D.W.G, Draper, S.J, Higgins, M.K.
Deposit date:2019-04-11
Release date:2019-06-26
Last modified:2019-08-21
Method:X-RAY DIFFRACTION (4.005 Å)
Cite:Human Antibodies that Slow Erythrocyte Invasion Potentiate Malaria-Neutralizing Antibodies.
Cell, 178, 2019
6OFJ
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BU of 6ofj by Molmil
Cryo-EM structure of the native rhodopsin dimer from rod photoreceptor cells
Descriptor: Rhodopsin
Authors:Zhao, D.Y, Gulati, S, Ernst, O.P, Palczewski, K.
Deposit date:2019-03-30
Release date:2019-08-21
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Cryo-EM structure of the native rhodopsin dimer in nanodiscs.
J.Biol.Chem., 294, 2019

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