3CYS
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![BU of 3cys by Molmil](/molmil-images/mine/3cys) | DETERMINATION OF THE NMR SOLUTION STRUCTURE OF THE CYCLOPHILIN A-CYCLOSPORIN A COMPLEX | Descriptor: | CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | Authors: | Spitzfaden, C, Braun, W, Wider, G, Widmer, H, Wuthrich, K. | Deposit date: | 1994-02-28 | Release date: | 1994-08-31 | Last modified: | 2017-11-01 | Method: | SOLUTION NMR | Cite: | Determination of the NMR Solution Structure of the Cyclophilin A-Cyclosporin a Complex. J.Biomol.NMR, 4, 1994
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3COH
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![BU of 3coh by Molmil](/molmil-images/mine/3coh) | Crystal structure of Aurora-A in complex with a pentacyclic inhibitor | Descriptor: | 8-ethyl-3,10,10-trimethyl-4,5,6,8,10,12-hexahydropyrazolo[4',3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indol-9(1H)-one, Serine/threonine-protein kinase 6 | Authors: | Wiesmann, C, Raswson, T.E, Cochran, A.G. | Deposit date: | 2008-03-28 | Release date: | 2009-02-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A pentacyclic aurora kinase inhibitor (AKI-001) with high in vivo potency and oral bioavailability. J.Med.Chem., 51, 2008
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4DOW
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![BU of 4dow by Molmil](/molmil-images/mine/4dow) | 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
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4DGE
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![BU of 4dge by Molmil](/molmil-images/mine/4dge) | TRIMCyp cyclophilin domain from Macaca mulatta: H70C mutant, 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 (2.2 Å) | Cite: | Diverse HIV viruses are targeted by a conformationally dynamic antiviral. Nat.Struct.Mol.Biol., 19, 2012
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4DHF
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![BU of 4dhf by Molmil](/molmil-images/mine/4dhf) | Structure of Aurora A mutant bound to Biogenidec cpd 15 | Descriptor: | 7-cyclopentyl-2-({1-methyl-5-[(4-methylpiperazin-1-yl)carbonyl]-1H-pyrrol-3-yl}amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Aurora kinase A, MAGNESIUM ION, ... | Authors: | Silvian, L, Marcotte, D.J. | Deposit date: | 2012-01-27 | Release date: | 2012-07-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-based design of 2,6,7-trisubstituted-7H-pyrrolo[2,3-d]pyrimidines as Aurora kinases inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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4DK7
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![BU of 4dk7 by Molmil](/molmil-images/mine/4dk7) | Crystal structure of LXR ligand binding domain in complex with full agonist 1 | Descriptor: | ACETATE ION, CALCIUM ION, N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylbenzenesulfonamide, ... | Authors: | Piper, D.E, Xu, H. | Deposit date: | 2012-02-03 | Release date: | 2012-03-21 | Last modified: | 2012-05-09 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Discovery of a new binding mode for a series of liver X receptor agonists. Bioorg.Med.Chem.Lett., 22, 2012
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4CXH
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![BU of 4cxh by Molmil](/molmil-images/mine/4cxh) | 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
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3E0C
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![BU of 3e0c by Molmil](/molmil-images/mine/3e0c) | Crystal Structure of DNA Damage-Binding protein 1(DDB1) | Descriptor: | DNA damage-binding protein 1 | Authors: | Amaya, M.F, Xu, L, Hao, H, Bountra, C, Wickstroem, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2008-07-31 | Release date: | 2008-09-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structure and function of WD40 domain proteins. Protein Cell, 2, 2011
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4CYH
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![BU of 4cyh by Molmil](/molmil-images/mine/4cyh) | CYCLOPHILIN A COMPLEXED WITH DIPEPTIDE HIS-PRO | Descriptor: | CYCLOPHILIN A, HISTIDINE, PROLINE | Authors: | Zhao, Y, Ke, H. | Deposit date: | 1996-02-27 | Release date: | 1996-07-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Mechanistic implication of crystal structures of the cyclophilin-dipeptide complexes. Biochemistry, 35, 1996
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3DFT
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![BU of 3dft by Molmil](/molmil-images/mine/3dft) | |
3DJ7
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![BU of 3dj7 by Molmil](/molmil-images/mine/3dj7) | Crystal structure of the mouse Aurora-A catalytic domain (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with Compound 130. | Descriptor: | 1-(5-{2-[(6-amino-5-bromopyrimidin-4-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea, serine/threonine kinase 6 | Authors: | Elling, R.A, Yang, W, Erlanson, D.A, Tangonan, B.T, Hansen, S.K, Romanowski, M.J. | Deposit date: | 2008-06-22 | Release date: | 2009-05-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | New fragment-based drug discovery To be Published
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3DWH
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![BU of 3dwh by Molmil](/molmil-images/mine/3dwh) | |
4E5Z
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![BU of 4e5z by Molmil](/molmil-images/mine/4e5z) | |
3DXK
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![BU of 3dxk by Molmil](/molmil-images/mine/3dxk) | Structure of Bos Taurus Arp2/3 Complex with Bound Inhibitor CK0944636 | Descriptor: | Actin-related protein 2, Actin-related protein 2/3 complex subunit 1B, Actin-related protein 2/3 complex subunit 2, ... | Authors: | Nolen, B.J, Tomasevic, N, Russell, A, Pierce, D.W, Jia, Z, Hartman, J, Sakowicz, R, Pollard, T.D. | Deposit date: | 2008-07-24 | Release date: | 2009-07-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Characterization of two classes of small molecule inhibitors of Arp2/3 complex Nature, 460, 2009
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4DRW
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![BU of 4drw by Molmil](/molmil-images/mine/4drw) | Crystal Structure of the Ternary Complex between S100A10, an Annexin A2 N-terminal Peptide and an AHNAK Peptide | Descriptor: | Neuroblast differentiation-associated protein AHNAK, Protein S100-A10/Annexin A2 chimeric protein | Authors: | Rezvanpour, A, Lee, T.-W, Junop, M.S, Shaw, G.S. | Deposit date: | 2012-02-17 | Release date: | 2012-10-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structure of an asymmetric ternary protein complex provides insight for membrane interaction. Structure, 20, 2012
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4DGA
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![BU of 4dga by Molmil](/molmil-images/mine/4dga) | 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
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4BL8
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![BU of 4bl8 by Molmil](/molmil-images/mine/4bl8) | Crystal structure of full-length human Suppressor of fused (SUFU) | Descriptor: | MALTOSE-BINDING PERIPLASMIC PROTEIN, SUPPRESSOR OF FUSED HOMOLOG, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Karlstrom, M, Finta, C, Cherry, A.L, Toftgard, R, Jovine, L. | Deposit date: | 2013-05-02 | Release date: | 2013-11-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.04 Å) | Cite: | Structural Basis of Sufu-GLI Interaction in Hedgehog Signalling Regulation Acta Crystallogr.,Sect.D, 69, 2013
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4AT9
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![BU of 4at9 by Molmil](/molmil-images/mine/4at9) | |
4ES0
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![BU of 4es0 by Molmil](/molmil-images/mine/4es0) | X-ray structure of WDR5-SETd1b Win motif peptide binary complex | Descriptor: | Histone-lysine N-methyltransferase SETD1B, 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 (1.817 Å) | Cite: | Structural basis for WDR5 interaction (Win) motif recognition in human SET1 family histone methyltransferases. J.Biol.Chem., 287, 2012
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4E96
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![BU of 4e96 by Molmil](/molmil-images/mine/4e96) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor PFi-1 | Descriptor: | 1,2-ETHANEDIOL, 2-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide, Bromodomain-containing protein 4, ... | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Fish, P, Bunnage, M, Owen, D, Knapp, S, Cook, A, Structural Genomics Consortium (SGC) | Deposit date: | 2012-03-20 | Release date: | 2012-04-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Identification of a chemical probe for bromo and extra C-terminal bromodomain inhibition through optimization of a fragment-derived hit. J.Med.Chem., 55, 2012
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3F9X
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![BU of 3f9x by Molmil](/molmil-images/mine/3f9x) | Structural Insights into Lysine Multiple Methylation by SET Domain Methyltransferases, SET8-Y334F / H4-Lys20me2 / AdoHcy | Descriptor: | Histone H4, Histone-lysine N-methyltransferase SETD8, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Couture, J.-F, Dirk, L.M.A, Brunzelle, J.S, Houtz, R.L, Trievel, R.C. | Deposit date: | 2008-11-14 | Release date: | 2008-11-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Structural origins for the product specificity of SET domain protein methyltransferases. Proc.Natl.Acad.Sci.Usa, 105, 2008
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4BZC
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![BU of 4bzc by Molmil](/molmil-images/mine/4bzc) | Crystal structure of the tetrameric dGTP-bound wild type SAMHD1 catalytic core | Descriptor: | 2'-deoxyguanosine-5'-O-(1-thiotriphosphate), 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 (2.88 Å) | Cite: | Mechanism of Allosteric Activation of Samhd1 by Dgtp Nat.Struct.Mol.Biol., 20, 2013
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4C67
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![BU of 4c67 by Molmil](/molmil-images/mine/4c67) | Discovery of Epigenetic Regulator I-BET762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the BET Bromodomains | Descriptor: | 1,2-ETHANEDIOL, 13-methyl-7-phenyl-3-thia-1,8,11,12-tetraazatricyclo trideca-2(6),4,7,10,12-pentaene, BROMODOMAIN-CONTAINING PROTEIN 4 | Authors: | Chung, C, Mirguet, O. | Deposit date: | 2013-09-17 | Release date: | 2013-10-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery of Epigenetic Regulator I-Bet762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the Bet Bromodomains. J.Med.Chem., 56, 2013
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4CCN
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![BU of 4ccn by Molmil](/molmil-images/mine/4ccn) | 60S ribosomal protein L8 histidine hydroxylase (NO66 L299C/C300S) in complex with Mn(II), N-oxalylglycine (NOG) and 60S ribosomal protein L8 (RPL8 G220C) peptide fragment (complex-2) | 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 (2.23 Å) | Cite: | Ribosomal oxygenases are structurally conserved from prokaryotes to humans. Nature, 510, 2014
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4C0Q
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![BU of 4c0q by Molmil](/molmil-images/mine/4c0q) | 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
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