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4EIN
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BU of 4ein by Molmil
Crystal structure of mouse thymidylate synthase in binary complex with a substrate analogue and strong inhibitor, N(4)-hydroxy-2'-deoxycytidine-5'-monophosphate
Descriptor: 2'-deoxy-N-hydroxycytidine 5'-(dihydrogen phosphate), GLYCEROL, Thymidylate synthase
Authors:Dowiercial, A, Jarmula, A, Rypniewski, W.R, Wilk, P, Kierdaszuk, B, Rode, W.
Deposit date:2012-04-05
Release date:2013-04-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structures of complexes of mouse thymidylate synthase crystallized with N4-OH-dCMP alone or in the presence of N5,10-methylenetetrahydrofolate
PTERIDINES, 2013
4ERZ
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BU of 4erz by Molmil
X-ray structure of WDR5-MLL4 Win motif peptide binary complex
Descriptor: Histone-lysine N-methyltransferase MLL4, WD repeat-containing protein 5
Authors:Dharmarajan, V, Lee, J.-H, Patel, A, Skalnik, D.G, Cosgrove, M.S.
Deposit date:2012-04-21
Release date:2012-05-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for WDR5 interaction (Win) motif recognition in human SET1 family histone methyltransferases.
J.Biol.Chem., 287, 2012
5MLI
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BU of 5mli by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 4-chloro-2-methyl-5-(methylamino)pyridazin-3(2H)-one
Descriptor: 4-chloranyl-2-methyl-5-(methylamino)pyridazin-3-one, Bromodomain-containing protein 4
Authors:Chung, C.-W.
Deposit date:2016-12-06
Release date:2017-12-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.63 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
3W3Z
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BU of 3w3z by Molmil
Crystal structure of Kap121p bound to RanGTP
Descriptor: GTP-binding nuclear protein Ran, GUANOSINE-5'-TRIPHOSPHATE, Importin subunit beta-3, ...
Authors:Kobayashi, J, Matsuura, Y.
Deposit date:2012-12-28
Release date:2013-04-10
Last modified:2014-01-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for cell-cycle-dependent nuclear import mediated by the karyopherin Kap121p.
J.Mol.Biol., 425, 2013
4E54
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BU of 4e54 by Molmil
Damaged DNA induced UV-damaged DNA-binding protein (UV-DDB) dimerization and its roles in chromatinized DNA repair
Descriptor: AP24 DNA complementary strand, AP24 DNA strand, DNA damage-binding protein 1, ...
Authors:Yeh, J.I, Du, S.
Deposit date:2012-03-14
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Damaged DNA induced UV-damaged DNA-binding protein (UV-DDB) dimerization and its roles in chromatinized DNA repair.
Proc.Natl.Acad.Sci.USA, 109, 2012
4LBD
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BU of 4lbd by Molmil
LIGAND-BINDING DOMAIN OF THE HUMAN RETINOIC ACID RECEPTOR GAMMA BOUND TO THE SYNTHETIC AGONIST BMS961
Descriptor: 3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-TETRAMETHYL-5,6,7,8,-TETRAHYDRO-NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID, RETINOIC ACID RECEPTOR GAMMA
Authors:Klaholz, B.P, Renaud, J.-P, Mitschler, A, Moras, D, Structural Proteomics in Europe (SPINE)
Deposit date:1998-02-04
Release date:1999-03-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Conformational adaptation of agonists to the human nuclear receptor RAR gamma.
Nat.Struct.Biol., 5, 1998
4DOW
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BU of 4dow by Molmil
Structure of mouse ORC1 BAH domain bound to H4K20me2
Descriptor: Histone H4, Origin recognition complex subunit 1
Authors:Song, J, Patel, D.J.
Deposit date:2012-02-10
Release date:2012-03-07
Last modified:2012-04-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The BAH domain of ORC1 links H4K20me2 to DNA replication licensing and Meier-Gorlin syndrome.
Nature, 484, 2012
4DGA
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BU of 4dga by Molmil
TRIMCyp cyclophilin domain from Macaca mulatta: HIV-1 CA(O-loop) complex
Descriptor: TRIMCyp, capsid protein
Authors:Caines, M.E.C, Bichel, K, Price, A.J, McEwan, W.A, James, L.C.
Deposit date:2012-01-25
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Diverse HIV viruses are targeted by a conformationally dynamic antiviral.
Nat.Struct.Mol.Biol., 19, 2012
4LNU
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BU of 4lnu by Molmil
Nucleotide-free kinesin motor domain in complex with tubulin and a DARPin
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Designed ankyrin repeat protein (DARPIN) D1, GLYCEROL, ...
Authors:Cao, L, Gigant, B, Knossow, M.
Deposit date:2013-07-12
Release date:2014-12-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:The structure of apo-kinesin bound to tubulin links the nucleotide cycle to movement
Nat Commun, 5, 2014
4KXW
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BU of 4kxw by Molmil
Human transketolase in covalent complex with donor ketose D-xylulose-5-phosphate, crystal 2
Descriptor: 1,2-ETHANEDIOL, D-XYLITOL-5-PHOSPHATE, MAGNESIUM ION, ...
Authors:Neumann, P, Luedtke, S, Ficner, R, Tittmann, K.
Deposit date:2013-05-28
Release date:2013-08-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Sub-angstrom-resolution crystallography reveals physical distortions that enhance reactivity of a covalent enzymatic intermediate.
Nat Chem, 5, 2013
5MEY
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BU of 5mey by Molmil
Crystal structure of Smad4-MH1 bound to the GGCGC site.
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Kaczmarska, Z, Freier, R, Marquez, J.A, Macias, M.J.
Deposit date:2016-11-16
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors.
Nat Commun, 8, 2017
4D5N
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BU of 4d5n by Molmil
Cryo-EM structures of ribosomal 80S complexes with termination factors and cricket paralysis virus IRES reveal the IRES in the translocated state
Descriptor: CRICKET PARALYSIS VIRUS IRES RNA, EUKARYOTIC PEPTIDE CHAIN RELEASE FACTOR SUBUNIT 1
Authors:Muhs, M, Hilal, T, Mielke, T, Skabkin, M.A, Sanbonmatsu, K.Y, Pestova, T.V, Spahn, C.M.T.
Deposit date:2014-11-06
Release date:2015-02-04
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (9 Å)
Cite:Cryo-Em of Ribosomal 80S Complexes with Termination Factors Reveals the Translocated Cricket Paralysis Virus Ires.
Mol.Cell, 57, 2015
3WE3
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BU of 3we3 by Molmil
Structure of BLM RQC domain bound to an arsenate ion
Descriptor: ACETATE ION, ARSENATE, Bloom syndrome protein
Authors:Kim, S.Y, Hakoshima, T, Kitano, K.
Deposit date:2013-06-28
Release date:2013-11-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of the RecQ C-terminal Domain of Human Bloom Syndrome Protein
Sci Rep, 3, 2013
4D5L
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BU of 4d5l by Molmil
Cryo-EM structures of ribosomal 80S complexes with termination factors and cricket paralysis virus IRES reveal the IRES in the translocated state
Descriptor: 18S RRNA 2, 40S RIBOSOMAL PROTEIN ES1, 40S RIBOSOMAL PROTEIN ES10, ...
Authors:Muhs, M, Hilal, T, Mielke, T, Skabkin, M.A, Sanbonmatsu, K.Y, Pestova, T.V, Spahn, C.M.T.
Deposit date:2014-11-05
Release date:2015-02-04
Last modified:2017-08-23
Method:ELECTRON MICROSCOPY (9 Å)
Cite:Cryo-Em of Ribosomal 80S Complexes with Termination Factors Reveals the Translocated Cricket Paralysis Virus Ires.
Mol.Cell, 57, 2015
4O0U
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BU of 4o0u by Molmil
Crystal structures of human kinase Aurora A
Descriptor: ADENOSINE, Aurora kinase A
Authors:Wang, J, Zhang, L, Ding, J.
Deposit date:2013-12-14
Release date:2014-12-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Functional Role of Conserved HxD-histidine in the Catalytic Core of Protein Kinases
To be Published
4O1X
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BU of 4o1x by Molmil
Crystal structure of human thymidylate synthase double mutant C195S-Y202C
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ...
Authors:Pozzi, C, Mangani, S.
Deposit date:2013-12-16
Release date:2015-01-21
Last modified:2023-03-01
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Destabilizers of the thymidylate synthase homodimer accelerate its proteasomal degradation and inhibit cancer growth.
Elife, 11, 2022
4DEA
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BU of 4dea by Molmil
Aurora A in complex with YL1-038-18
Descriptor: 1,2-ETHANEDIOL, 4,4'-(pyrimidine-2,4-diyldiimino)dibenzoic acid, Aurora kinase A
Authors:Martin, M.P, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2012-01-20
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Development of o-Chlorophenyl Substituted Pyrimidines as Exceptionally Potent Aurora Kinase Inhibitors.
J.Med.Chem., 55, 2012
5MPL
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BU of 5mpl by Molmil
hnRNP A1 RRM2 in complex with 5'-UCAGUU-3' RNA
Descriptor: Heterogeneous nuclear ribonucleoprotein A1, RNA UCAGUU
Authors:Barraud, P, Allain, F.H.-T.
Deposit date:2016-12-16
Release date:2017-07-05
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Tandem hnRNP A1 RNA recognition motifs act in concert to repress the splicing of survival motor neuron exon 7.
Elife, 6, 2017
4O45
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BU of 4o45 by Molmil
WDR5 in complex with influenza NS1 C-terminal tail
Descriptor: Nonstructural protein 1, UNKNOWN ATOM OR ION, WD repeat-containing protein 5
Authors:Qin, S, Xu, C, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2013-12-18
Release date:2014-04-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural basis for histone mimicry and hijacking of host proteins by influenza virus protein NS1.
Nat Commun, 5, 2014
4O59
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BU of 4o59 by Molmil
Co-enzyme Induced Conformational Changes in Bovine Eye Glyceraldehyde 3-Phosphate Dehydrogenase
Descriptor: Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Baker, B.Y, Shi, W, Wang, B, Palczewski, K.
Deposit date:2013-12-19
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:High-resolution crystal structures of the photoreceptor glyceraldehyde 3-phosphate dehydrogenase (GAPDH) with three and four-bound NAD molecules.
Protein Sci., 23, 2014
5N49
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BU of 5n49 by Molmil
BRPF2 in complex with Compound 7
Descriptor: 2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione, Bromodomain-containing protein 1
Authors:Bouche, L, Christ, C.D, Siegel, S, Fernandez-Montalvan, A.E, Holton, S.J, Fedorov, O, ter Laak, A, Sugawara, T, Stoeckigt, D, Tallant, C, Bennett, J, Monteiro, O, Saez, L.D, Siejka, P, Meier, J, Puetter, V, Weiske, J, Mueller, S, Huber, K.V.M, Hartung, I.V, Haendler, B.
Deposit date:2017-02-10
Release date:2017-05-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Benzoisoquinolinediones as Potent and Selective Inhibitors of BRPF2 and TAF1/TAF1L Bromodomains.
J. Med. Chem., 60, 2017
4MEQ
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BU of 4meq by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a 5-methyl-triazolopyrimidine ligand
Descriptor: 1,2-ETHANEDIOL, 5-methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine, Bromodomain-containing protein 4
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, Vidler, L.R, Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Hoelder, S, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-08-27
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening.
J.Med.Chem., 56, 2013
4CXH
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BU of 4cxh by Molmil
Regulation of the mammalian elongation cycle by 40S subunit rolling: a eukaryotic-specific ribosome rearrangement
Descriptor: 18S RRNA - H44, 18S RRNA - H5-H14, 18S RRNA - H8, ...
Authors:Budkevich, T.V, Giesebrecht, J, Behrmann, E, Loerke, J, Ramrath, D.J.F, Mielke, T, Ismer, J, Hildebrand, P, Tung, C.-S, Nierhaus, K.H, Sanbonmatsu, K.Y, Spahn, C.M.T.
Deposit date:2014-04-07
Release date:2014-07-16
Last modified:2019-06-26
Method:ELECTRON MICROSCOPY (8.9 Å)
Cite:Regulation of the Mammalian Elongation Cycle by Subunit Rolling: A Eukaryotic-Specific Ribosome Rearrangement.
Cell(Cambridge,Mass.), 158, 2014
5NOW
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BU of 5now by Molmil
Structure of cyclophilin A in complex with pyridine-3,4-diamine
Descriptor: Peptidyl-prolyl cis-trans isomerase A, pyridine-3,4-diamine
Authors:Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D.
Deposit date:2017-04-13
Release date:2017-07-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders.
J. Mol. Biol., 429, 2017
5N10
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BU of 5n10 by Molmil
Cucurbit[8]uril and 14-3-3 based binary bivalent supramolecular-protein assembly platform
Descriptor: 14-3-3 protein beta/alpha, Cucurbit[8]uril, Estrogen receptor, ...
Authors:de Vink, P.J, Ottmann, C.
Deposit date:2017-02-04
Release date:2017-05-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Binary Bivalent Supramolecular Assembly Platform Based on Cucurbit[8]uril and Dimeric Adapter Protein 14-3-3.
Angew. Chem. Int. Ed. Engl., 56, 2017

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