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5LPU
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BU of 5lpu by Molmil
Crystal structure of Annexin A2 complexed with S100A4
Descriptor: Annexin A2, CALCIUM ION, GLYCEROL, ...
Authors:Ecsedi, P, Gogl, G, Kiss, B, Nyitray, L.
Deposit date:2016-08-15
Release date:2017-07-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Regulation of the Equilibrium between Closed and Open Conformations of Annexin A2 by N-Terminal Phosphorylation and S100A4-Binding.
Structure, 25, 2017
5LT1
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BU of 5lt1 by Molmil
nucleotide-free kinesin-1 motor domain T92V mutant, P21 crystal form
Descriptor: ACETATE ION, Kinesin-like protein, STRONTIUM ION, ...
Authors:Cao, L, Gigant, B.
Deposit date:2016-09-06
Release date:2017-03-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.949 Å)
Cite:The structural switch of nucleotide-free kinesin.
Sci Rep, 7, 2017
5LQ0
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BU of 5lq0 by Molmil
Crystal structure of Tyr24 phosphorylated Annexin A2 at 2.9 A resolution
Descriptor: Annexin A2, CALCIUM ION
Authors:Ecsedi, P, Gogl, G, Kiss, B, Nyitray, L.
Deposit date:2016-08-15
Release date:2017-07-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Regulation of the Equilibrium between Closed and Open Conformations of Annexin A2 by N-Terminal Phosphorylation and S100A4-Binding.
Structure, 25, 2017
4A0A
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BU of 4a0a by Molmil
Structure of hsDDB1-drDDB2 bound to a 16 bp CPD-duplex (pyrimidine at D-1 position) at 3.6 A resolution (CPD 3)
Descriptor: 5'-D(*CP*CP*TP*GP*CP*TP*CP*CP*TP*TP*TP*CP*AP*CP*CP*C)-3', 5'-D(*GP*GP*TP*GP*AP*AP*AP*(TTD)P*AP*GP*CP*AP*GP*DGP)-3', CALCIUM ION, ...
Authors:Scrima, A, Fischer, E.S, Iwai, S, Gut, H, Thoma, N.H.
Deposit date:2011-09-08
Release date:2011-11-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:The Molecular Basis of Crl4(Ddb2/Csa) Ubiquitin Ligase Architecture, Targeting, and Activation
Cell(Cambridge,Mass.), 147, 2011
5LZT
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BU of 5lzt by Molmil
Structure of the mammalian ribosomal termination complex with eRF1 and eRF3.
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA, 5.8S ribosomal RNA, ...
Authors:Shao, S, Murray, J, Brown, A, Taunton, J, Ramakrishnan, V, Hegde, R.S.
Deposit date:2016-10-02
Release date:2016-11-30
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:Decoding Mammalian Ribosome-mRNA States by Translational GTPase Complexes.
Cell, 167, 2016
4F7U
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BU of 4f7u by Molmil
The 6S snRNP assembly intermediate
Descriptor: HEXAETHYLENE GLYCOL, Methylosome subunit pICln, Small nuclear ribonucleoprotein E, ...
Authors:Grimm, C, Pelz, J.P.
Deposit date:2012-05-16
Release date:2013-01-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:Structural Basis of Assembly Chaperone- Mediated snRNP Formation.
Mol.Cell, 49, 2013
4A9L
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BU of 4a9l by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1,3-DIMETHYL-6-(MORPHOLINE- 4-SULFONYL)-1,2,3,4-TETRAHYDROQUINAZOLIN-2-ONE
Descriptor: 1,2-ETHANEDIOL, 1,3-dimethyl-6-(morpholin-4-ylsulfonyl)-3,4-dihydroquinazolin-2(1H)-one, BROMODOMAIN-CONTAINING PROTEIN 4, ...
Authors:Chung, C.W, Bamborough, P.
Deposit date:2011-11-26
Release date:2012-01-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fragment-Based Discovery of Bromodomain Inhibitors Part 1: Inhibitor Binding Modes and Implications for Lead Discovery.
J.Med.Chem., 55, 2012
4N1S
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BU of 4n1s by Molmil
Structure of Cyclophilin A in complex with benzohydrazide.
Descriptor: Peptidyl-prolyl cis-trans isomerase A, benzohydrazide
Authors:Mcnae, I.W, Dornan, J, Walkinshaw, M.D.
Deposit date:2013-10-04
Release date:2015-08-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Mapping the binding surface of Cyclophilin A.
To be Published
4F3I
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BU of 4f3i by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with MS417 inhibitor
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, methyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate
Authors:Joshua, J, Zhou, M.-M, Plotnikov, A.N.
Deposit date:2012-05-09
Release date:2012-09-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Down-regulation of NF-{kappa}B Transcriptional Activity in HIV-associated Kidney Disease by BRD4 Inhibition.
J.Biol.Chem., 287, 2012
4N1O
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BU of 4n1o by Molmil
Structure of Cyclophilin A in complex with Saccharin.
Descriptor: 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, Peptidyl-prolyl cis-trans isomerase A
Authors:Mcnae, I.W, Dornan, J, Walkinshaw, M.D.
Deposit date:2013-10-04
Release date:2015-08-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Mapping the binding surface of Cyclophilin A.
To be Published
4BZB
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BU of 4bzb by Molmil
Crystal structure of the tetrameric dGTP-bound SAMHD1 mutant catalytic core
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1, MAGNESIUM ION
Authors:Ji, X, Yang, H, Wu, Y, Yan, J, Mehrens, J, DeLucia, M, Hao, C, Gronenborn, A.M, Skowronski, J, Ahn, J, Xiong, Y.
Deposit date:2013-07-25
Release date:2013-10-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Mechanism of Allosteric Activation of Samhd1 by Dgtp
Nat.Struct.Mol.Biol., 20, 2013
4BNC
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BU of 4bnc by Molmil
Crystal structure of the DNA-binding domain of human ETV1 complexed with DNA
Descriptor: 5'-D(*AP*CP*CP*GP*GP*AP*AP*GP*TP*GP)-3', 5'-D(*CP*AP*CP*TP*TP*CP*CP*GP*GP*TP)-3', HUMAN ETV1
Authors:Allerston, C.K, Cooper, C.D.O, Krojer, T, Chaikuad, A, Vollmar, M, Froese, D.S, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Gileadi, O.
Deposit date:2013-05-14
Release date:2013-07-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of the Ets Domains of Transcription Factors Etv1, Etv4, Etv5 and Fev: Determinants of DNA Binding and Redox Regulation by Disulfide Bond Formation.
J.Biol.Chem., 290, 2015
5NNG
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BU of 5nng by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated SRPK1 peptide (K585ac)
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, VAG(ALY)YS(ALY)EFFY
Authors:Filippakopoulos, P, Picaud, S, Newman, J, Sorrell, F, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Structural Genomics Consortium (SGC)
Deposit date:2017-04-08
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Mol. Cell, 73, 2019
4ATX
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BU of 4atx by Molmil
Rigor kinesin motor domain with an ordered neck-linker, docked on tubulin dimer, modelled into the 8A cryo-EM map of doublecortin- microtubules decorated with kinesin
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, KINESIN-1 HEAVY CHAIN, ...
Authors:Liu, J.S, Schubert, C.R, Fu, X, Fourniol, F.J, Jaiswal, J.K, Houdusse, A, Stultz, C.M, Moores, C.A, Walsh, C.A.
Deposit date:2012-05-10
Release date:2012-09-26
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (8.2 Å)
Cite:Molecular Basis for Specific Regulation of Neuronal Kinesin- 3 Motors by Doublecortin Family Proteins.
Mol.Cell, 47, 2012
5NNF
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BU of 5nnf by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated BAZ1B peptide (K221ac)
Descriptor: Bromodomain-containing protein 4, FLPH(ALY)YDVKL
Authors:Filippakopoulos, P, Picaud, S, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C.
Deposit date:2017-04-08
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Mol. Cell, 73, 2019
4A11
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BU of 4a11 by Molmil
Structure of the hsDDB1-hsCSA complex
Descriptor: DNA DAMAGE-BINDING PROTEIN 1, DNA EXCISION REPAIR PROTEIN ERCC-8
Authors:Bohm, K, Scrima, A, Fischer, E.S, Gut, H, Thomae, N.H.
Deposit date:2011-09-13
Release date:2011-12-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:The Molecular Basis of Crl4(Ddb2/Csa) Ubiquitin Ligase Architecture, Targeting, and Activation.
Cell(Cambridge,Mass.), 147, 2011
4A0W
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BU of 4a0w by Molmil
model built against symmetry-free cryo-EM map of TRiC-ADP-AlFx
Descriptor: T-COMPLEX PROTEIN 1 SUBUNIT BETA
Authors:Cong, Y, Schroder, G.F, Meyer, A.S, Jakana, J, Ma, B, Dougherty, M.T, Schmid, M.F, Reissmann, S, Levitt, M, Ludtke, S.L, Frydman, J, Chiu, W.
Deposit date:2011-09-13
Release date:2012-02-15
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (13.9 Å)
Cite:Symmetry-Free Cryo-Em Structures of the Chaperonin Tric Along its ATPase-Driven Conformational Cycle.
Embo J., 31, 2012
4AJJ
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BU of 4ajj by Molmil
rat LDHA in complex with 2-((3,4-dimethoxyphenyl)methyl))propanedioic acid and N-(2-methyl-1,3-benzothiazol-6-yl)-3-ureido-propanamide
Descriptor: 2-((3,4-DIMETHOXYPHENYL)METHYL))PROPANEDIOIC ACID, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Patel, J, Greenwood, R.
Deposit date:2012-02-16
Release date:2012-03-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
5MKZ
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BU of 5mkz by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 4-chloro-2-methyl-5-(((3-methylthiophen-2-yl)methyl)amino)pyridazin-3(2H)-one
Descriptor: 4-chloranyl-2-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridazin-3-one, Bromodomain-containing protein 4, GLYCEROL
Authors:Chung, C.-W.
Deposit date:2016-12-05
Release date:2017-12-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Discovery of a Potent, Cell Penetrant, and Selective p300/CBP-Associated Factor (PCAF)/General Control Nonderepressible 5 (GCN5) Bromodomain Chemical Probe.
J. Med. Chem., 60, 2017
4N1N
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BU of 4n1n by Molmil
Structure of Cyclophilin A in complex with Benzamide.
Descriptor: BENZAMIDE, Peptidyl-prolyl cis-trans isomerase A
Authors:Mcnae, I.W, Dornan, J, Walkinshaw, M.D.
Deposit date:2013-10-04
Release date:2015-08-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mapping the binding surface of Cyclophilin A.
To be Published
4N3W
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BU of 4n3w by Molmil
Crystal Structure of the Bromodomain-PHD Finger Module of Human Transcriptional Co-Activator CBP in complex with Acetylated Histone 4 Peptide (H4K20ac).
Descriptor: CREB-binding protein, Histone H4 peptide, ZINC ION
Authors:Plotnikov, A.N, Yang, S, Zhou, M.-M.
Deposit date:2013-10-07
Release date:2014-01-29
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Insights into Acetylated-Histone H4 Recognition by the Bromodomain-PHD Finger Module of Human Transcriptional Coactivator CBP.
Structure, 22, 2014
4N4G
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BU of 4n4g by Molmil
Crystal structure of the Bromo-PWWP of the mouse zinc finger MYND-type containing 11 isoform alpha
Descriptor: PHOSPHATE ION, ZINC ION, Zinc finger MYND domain-containing protein 11
Authors:Li, Y, Ren, Y, Li, H.
Deposit date:2013-10-08
Release date:2014-03-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.947 Å)
Cite:ZMYND11 links histone H3.3K36me3 to transcription elongation and tumour suppression
Nature, 508, 2014
4A13
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BU of 4a13 by Molmil
model refined against symmetry-free cryo-EM map of TRiC-ADP
Descriptor: T-COMPLEX PROTEIN 1 SUBUNIT BETA
Authors:Cong, Y, Schroder, G.F, Meyer, A.S, Jakana, J, Ma, B, Dougherty, M.T, Schmid, M.F, Reissmann, S, Levitt, M, Ludtke, S.L, Frydman, J, Chiu, W.
Deposit date:2011-09-13
Release date:2012-02-15
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (11.3 Å)
Cite:Symmetry-Free Cryo-Em Structures of the Chaperonin Tric Along its ATPase-Driven Conformational Cycle.
Embo J., 31, 2012
4C0Q
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BU of 4c0q by Molmil
Transportin 3 in complex with Ran(Q69L)GTP
Descriptor: GTP-BINDING NUCLEAR PROTEIN RAN, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Maertens, G, Hare, S, Cherepanov, P.
Deposit date:2013-08-06
Release date:2014-01-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.42 Å)
Cite:Structural Basis for Nuclear Import of Splicing Factors by Human Transportin 3.
Proc.Natl.Acad.Sci.USA, 111, 2014
4C3P
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BU of 4c3p by Molmil
Structure of dephosphorylated Aurora A (122-403) bound to TPX2 and AMPPCP
Descriptor: AURORA KINASE A, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, SULFATE ION, ...
Authors:Zorba, A, Kutter, S, Kern, D.
Deposit date:2013-08-26
Release date:2014-05-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Molecular Mechanism of Aurora a Kinase Autophosphorylation and its Allosteric Activation by Tpx2.
Elife, 3, 2014

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