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4BYI
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BU of 4byi by Molmil
Aurora A kinase bound to a highly selective imidazopyridine inhibitor
Descriptor: (S)-N-((1-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)methyl)acetamide, AURORA KINASE A
Authors:Joshi, A, Kosmopoulou, M, Bayliss, R.
Deposit date:2013-07-19
Release date:2013-11-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Aurora Isoform Selectivity: Design and Synthesis of Imidazo[4,5-B]Pyridine Derivatives as Highly Selective Inhibitors of Aurora-A Kinase in Cells.
J.Med.Chem., 56, 2013
7MNY
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BU of 7mny by Molmil
Crystal Structure of Nup358/RanBP2 Ran-binding domain 3 in complex with Ran-GPPNHP
Descriptor: E3 SUMO-protein ligase RanBP2, GTP-binding nuclear protein Ran, MAGNESIUM ION, ...
Authors:Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
Deposit date:2021-05-01
Release date:2022-06-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
7MO2
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BU of 7mo2 by Molmil
Crystal Structure of the ZnF2 of Nucleoporin NUP153 in complex with Ran-GDP
Descriptor: GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
Deposit date:2021-05-01
Release date:2022-06-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
4CCM
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BU of 4ccm by Molmil
60S ribosomal protein L8 histidine hydroxylase (NO66) in complex with Mn(II), N-oxalylglycine (NOG) and 60S ribosomal protein L8 (RPL8 G220C) peptide fragment (complex-1)
Descriptor: 1,2-ETHANEDIOL, 60S RIBOSOMAL PROTEIN L8, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE NO66, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2013-10-23
Release date:2014-05-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
7MO3
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BU of 7mo3 by Molmil
Crystal Structure of the ZnF3 of Nucleoporin NUP153 in complex with Ran-GDP, resolution 2.05 Angstrom
Descriptor: GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
Deposit date:2021-05-01
Release date:2022-06-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
4CDG
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BU of 4cdg by Molmil
Crystal structure of the Bloom's syndrome helicase BLM in complex with Nanobody
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BLOOM SYNDROME PROTEIN, NANOBODY, ...
Authors:Newman, J.A, Savitsky, P, Allerston, C.K, Pike, A.C.W, Pardon, E, Steyaert, J, Arrowsmith, C.H, von Delft, F, Bountra, C, Edwards, A, Gileadi, O.
Deposit date:2013-10-31
Release date:2013-11-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.794 Å)
Cite:Crystal Structure of the Bloom'S Syndrome Helicase Indicates a Role for the Hrdc Domain in Conformational Changes.
Nucleic Acids Res., 43, 2015
2M16
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BU of 2m16 by Molmil
P75/LEDGF PWWP Domain
Descriptor: PC4 and SFRS1-interacting protein
Authors:Crowe, B.L, Foster, M.P.
Deposit date:2012-11-18
Release date:2013-02-27
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis for high-affinity binding of LEDGF PWWP to mononucleosomes.
Nucleic Acids Res., 41, 2013
4C5I
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BU of 4c5i by Molmil
Crystal structure of MBTD1 YY1 complex
Descriptor: MBT DOMAIN-CONTAINING PROTEIN 1, TRANSCRIPTIONAL REPRESSOR PROTEIN YY1
Authors:Alfieri, C, Glatt, S, Mueller, C.W.
Deposit date:2013-09-12
Release date:2013-11-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.586 Å)
Cite:Structural Basis for Targeting the Chromatin Repressor Sfmbt to Polycomb Response Elements
Genes Dev., 27, 2013
4CET
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BU of 4cet by Molmil
Crystal structure of the complex of the P187S variant of human NAD(P) H:quinone oxidoreductase with dicoumarol at 2.2 A resolution
Descriptor: BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE], FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1
Authors:Lienhart, W.D, Gudipati, V, Uhl, M.K, Binter, A, Pulido, S, Saf, R, Zangger, K, Gruber, K, Macheroux, P.
Deposit date:2013-11-12
Release date:2014-08-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Collapse of the Native Structure by a Single Amino Acid Exchange in Human Nad(P)H:Quinone Oxidoreductase (Nqo1).
FEBS J., 281, 2014
4CF6
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BU of 4cf6 by Molmil
Crystal structure of the complex of the P187S variant of human NAD(P) H:quinone oxidoreductase with Cibacron blue at 2.7 A resolution
Descriptor: CIBACRON BLUE, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1
Authors:Lienhart, W.D, Gudipati, V, Uhl, M.K, Binter, A, Pulido, S, Saf, R, Zangger, K, Gruber, K, Macheroux, P.
Deposit date:2013-11-13
Release date:2014-08-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.694 Å)
Cite:Collapse of the Native Structure by a Single Amino Acid Exchange in Human Nad(P)H:Quinone Oxidoreductase (Nqo1).
FEBS J., 281, 2014
3DAJ
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BU of 3daj by Molmil
Crystal structure of Aurora A complexed with an inhibitor discovered through site-directed dynamic tethering
Descriptor: N-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamide, serine/threonine kinase 6
Authors:He, M.M.
Deposit date:2008-05-29
Release date:2008-07-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of an Aurora kinase inhibitor through site-specific dynamic combinatorial chemistry.
Bioorg.Med.Chem.Lett., 18, 2008
7MR9
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BU of 7mr9 by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 bound to NC-II-153
Descriptor: 1,2-ETHANEDIOL, 2-methyl-4-[3-(2-oxopyrrolidin-1-yl)phenyl]isoquinolin-1(2H)-one, Bromodomain-containing protein 4
Authors:Chan, A, Schonbrunn, E.
Deposit date:2021-05-07
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022
7MRA
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BU of 7mra by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 bound to NC-II-259
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-[3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)phenyl]ethanesulfonamide
Authors:Chan, A, Schonbrunn, E.
Deposit date:2021-05-07
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022
7MRB
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BU of 7mrb by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 bound to NC-III-53
Descriptor: Bromodomain-containing protein 4, N-[4-(4-chlorophenoxy)-3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)phenyl]ethanesulfonamide
Authors:Chan, A, Schonbrunn, E.
Deposit date:2021-05-07
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022
7MBH
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BU of 7mbh by Molmil
Structure of Human Enolase 2 in complex with phosphoserine
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Gamma-enolase, ...
Authors:Leonard, P.G, Hicks, K.G, Rutter, J.
Deposit date:2021-03-31
Release date:2022-11-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Protein-metabolite interactomics of carbohydrate metabolism reveal regulation of lactate dehydrogenase.
Science, 379, 2023
3DFS
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BU of 3dfs by Molmil
Dihydroxyacetone phosphate Schiff base intermediate in D33S mutant fructose-1,6-bisphosphate aldolase from rabbit muscle
Descriptor: 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-bisphosphate aldolase A
Authors:St-Jean, M, Sygusch, J.
Deposit date:2008-06-12
Release date:2009-04-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Charge stabilization and entropy reduction of central lysine residues in fructose-bisphosphate aldolase
Biochemistry, 48, 2009
3EA5
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BU of 3ea5 by Molmil
Kap95p Binding Induces the Switch Loops of RanGDP to adopt the GTP-bound Conformation: Implications for Nuclear Import Complex Assembly Dynamics
Descriptor: GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, Importin subunit beta-1, ...
Authors:Forwood, J.K, Lonhienne, J.K, Guncar, G, Stewart, M, Marfori, M, Kobe, B.
Deposit date:2008-08-24
Release date:2008-10-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Kap95p binding induces the switch loops of RanGDP to adopt the GTP-bound conformation: implications for nuclear import complex assembly dynamics.
J.Mol.Biol., 383, 2008
4CI3
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BU of 4ci3 by Molmil
Structure of the DDB1-CRBN E3 ubiquitin ligase bound to Pomalidomide
Descriptor: DNA DAMAGE-BINDING PROTEIN 1, PROTEIN CEREBLON, S-Pomalidomide, ...
Authors:Fischer, E.S, Boehm, K, Thoma, N.H.
Deposit date:2013-12-05
Release date:2014-07-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of the Ddb1-Crbn E3 Ubiquitin Ligase in Complex with Thalidomide.
Nature, 512, 2014
3EAW
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BU of 3eaw by Molmil
Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular Stability
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, Thymidylate synthase
Authors:Huang, X, Gibson, L.M, Bell, B.J, Lovelace, L.L, Pena, M.M, Berger, F.G, Berger, S.H.
Deposit date:2008-08-26
Release date:2010-03-02
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Replacement of Val3 in human thymidylate synthase affects its kinetic properties and intracellular stability .
Biochemistry, 49, 2010
2MIU
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BU of 2miu by Molmil
Structure of FHL2 LIM adaptor and its Interaction with Ski
Descriptor: Four and a half LIM domains protein 2, ZINC ION
Authors:Yang, Y, Sun, Y, Medrano, E.E, Tian, X, Weiss, M.A.
Deposit date:2013-12-20
Release date:2014-01-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of FHL2 LIM adaptor and its Interaction with Ski
To be Published
3EFW
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BU of 3efw by Molmil
Structure of AuroraA with pyridyl-pyrimidine urea inhibitor
Descriptor: 1-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea, SULFATE ION, Serine/threonine-protein kinase 6
Authors:Bellon, S.F, Cee, V, Hughes, P, Geuns-Meyer, S, Whittington, D.
Deposit date:2008-09-10
Release date:2008-12-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase.
Bioorg.Med.Chem.Lett., 19, 2009
2LY9
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BU of 2ly9 by Molmil
Solution NMR Structure of Homeobox 2 Domain from Human ZHX1 repressor, Northeast Structural Genomics Consortium (NESG) Target HR7907F
Descriptor: Zinc fingers and homeoboxes protein 1
Authors:Xu, X, Eletsky, A, Mills, J.L, Pulavarti, S.V.S.R.K, Lee, D, Kohan, E, Janjua, H, Xiao, R, Acton, T.B, Everett, J.K, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-09-14
Release date:2012-11-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR Structure of Homeobox 2 Domain from Human ZHX1 repressor, Northeast Structural Genomics Consortium (NESG) Target HR7907F
To be Published
4CN0
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BU of 4cn0 by Molmil
An intertwined homodimer of the PDZ homology domain of AHNAK2
Descriptor: POTASSIUM ION, PROTEIN AHNAK2, TETRAETHYLENE GLYCOL
Authors:Han, H, Kursula, P.
Deposit date:2014-01-20
Release date:2014-04-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Periaxin and Ahnak Nucleoprotein 2 Form Intertwined Homodimers Through Domain Swapping
J.Biol.Chem., 289, 2014
3EI2
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BU of 3ei2 by Molmil
Structure of hsDDB1-drDDB2 bound to a 16 bp abasic site containing DNA-duplex
Descriptor: 5'-D(*DAP*DAP*DAP*DTP*DGP*DAP*DAP*DTP*(3DR)P*DAP*DAP*DGP*DCP*DAP*DGP*DG)-3', 5'-D(*DCP*DCP*DTP*DGP*DCP*DTP*DTP*DTP*DAP*DTP*DTP*DCP*DAP*DTP*DTP*DT)-3', DNA damage-binding protein 1, ...
Authors:Scrima, A, Thoma, N.H.
Deposit date:2008-09-15
Release date:2009-01-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of UV DNA-damage recognition by the DDB1-DDB2 complex.
Cell(Cambridge,Mass.), 135, 2008
3EMH
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BU of 3emh by Molmil
Structural basis of WDR5-MLL interaction
Descriptor: Mixed-lineage leukemia protein 1, SULFATE ION, WD repeat-containing protein 5
Authors:Song, J.J, Kingston, R.E.
Deposit date:2008-09-24
Release date:2008-10-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:WDR5 Interacts with Mixed Lineage Leukemia (MLL) Protein via the Histone H3-binding Pocket.
J.Biol.Chem., 283, 2008

223790

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