4XLP
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5U77
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![BU of 5u77 by Molmil](/molmil-images/mine/5u77) | Crystal structure of ORP8 PH domain | Descriptor: | FORMIC ACID, N-(2-hydroxyethyl)-N,N-dimethyl-3-sulfopropan-1-aminium, Oxysterol-binding protein-related protein 8 | Authors: | Ghai, R, Yang, H. | Deposit date: | 2016-12-11 | Release date: | 2017-10-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.157 Å) | Cite: | ORP5 and ORP8 bind phosphatidylinositol-4, 5-biphosphate (PtdIns(4,5)P 2) and regulate its level at the plasma membrane. Nat Commun, 8, 2017
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4XOY
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![BU of 4xoy by Molmil](/molmil-images/mine/4xoy) | Crystal structure of ERK2 in complex with an inhibitor | Descriptor: | 2-amino-1,9-dihydro-6H-purine-6-thione, Mitogen-activated protein kinase 1, SULFATE ION | 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 (2.1 Å) | Cite: | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography. Acta Crystallogr.,Sect.D, 71, 2015
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4XQB
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![BU of 4xqb by Molmil](/molmil-images/mine/4xqb) | CRYSTAL STRUCTURE OF AD37 FIBER KNOB IN COMPLEX WITH TRIVALENT SIALIC ACID INHIBITOR ME0461 | Descriptor: | 2-(1-{2-[bis(2-{4-[2-({(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl}oxy)ethyl]-1H-1,2,3-triazol-1-yl}ethyl)amino]ethyl}-1H-1,2,3-triazol-4-yl)ethyl (6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranosidonic acid, ACETATE ION, Fiber, ... | Authors: | Stehle, T, Liaci, A.M. | Deposit date: | 2015-01-19 | Release date: | 2015-07-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.597 Å) | Cite: | Triazole linker-based trivalent sialic acid inhibitors of adenovirus type 37 infection of human corneal epithelial cells. Org.Biomol.Chem., 13, 2015
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3J4Q
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6Q7K
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![BU of 6q7k by Molmil](/molmil-images/mine/6q7k) | ERK2 mini-fragment binding | Descriptor: | 1H-imidazol-2-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: | 2019-03-27 | Last modified: | 2019-05-22 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
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4Y1I
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![BU of 4y1i by Molmil](/molmil-images/mine/4y1i) | Lactococcus lactis yybP-ykoY Mn riboswitch bound to Mn2+ | Descriptor: | BARIUM ION, GUANOSINE-5'-TRIPHOSPHATE, Lactococcus lactis yybP-ykoY riboswitch, ... | Authors: | Price, I.R, Ke, A. | Deposit date: | 2015-02-07 | Release date: | 2015-04-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Mn(2+)-Sensing Mechanisms of yybP-ykoY Orphan Riboswitches. Mol.Cell, 57, 2015
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2K1Z
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6Q81
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![BU of 6q81 by Molmil](/molmil-images/mine/6q81) | Structure of P-glycoprotein(ABCB1) in the post-hydrolytic state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, P-glycoprotein (ABCB1) | Authors: | Ford, R.C, Thonghin, N, Collins, R.F, Barbieri, A, Shafi, T, Siebert, A. | Deposit date: | 2018-12-13 | Release date: | 2018-12-26 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (7.9 Å) | Cite: | Novel features in the structure of P-glycoprotein (ABCB1) in the post-hydrolytic state as determined at 7.9 angstrom resolution. Bmc Struct.Biol., 18, 2018
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6QA3
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![BU of 6qa3 by Molmil](/molmil-images/mine/6qa3) | ERK2 mini-fragment binding | Descriptor: | Mitogen-activated protein kinase 1, PYRAZOLE, SULFATE ION | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | Deposit date: | 2018-12-18 | Release date: | 2019-06-26 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
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6PTO
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![BU of 6pto by Molmil](/molmil-images/mine/6pto) | Structure of Ctf4 trimer in complex with three CMG helicases | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 45, DNA polymerase alpha-binding protein, ... | Authors: | Yuan, Z, Georgescu, R, Bai, L, Santos, R, Donnell, M, Li, H. | Deposit date: | 2019-07-16 | Release date: | 2019-11-20 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (7 Å) | Cite: | Ctf4 organizes sister replisomes and Pol alpha into a replication factory. Elife, 8, 2019
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4XP0
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![BU of 4xp0 by Molmil](/molmil-images/mine/4xp0) | Crystal structure of ERK2 in complex with an inhibitor | Descriptor: | 1H-pyrrolo[2,3-b]pyridine-3-carbonitrile, 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: | 2017-09-06 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography. Acta Crystallogr.,Sect.D, 71, 2015
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4XWK
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![BU of 4xwk by Molmil](/molmil-images/mine/4xwk) | P-glycoprotein co-crystallized with BDE-100 | Descriptor: | 2,4-dibromophenyl 2,4,6-tribromophenyl ether, Multidrug resistance protein 1A | Authors: | McGrath, A.P, Rees, S.D, Chang, G. | Deposit date: | 2015-01-28 | Release date: | 2016-04-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Global marine pollutants inhibit P-glycoprotein: Environmental levels, inhibitory effects, and cocrystal structure. Sci Adv, 2, 2016
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6PTJ
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![BU of 6ptj by Molmil](/molmil-images/mine/6ptj) | Structure of Ctf4 trimer in complex with one CMG helicase | Descriptor: | Cell division control protein 45, DNA polymerase alpha-binding protein, DNA replication complex GINS protein PSF1, ... | Authors: | Yuan, Z, Georgescu, R, Bai, L, Santos, R, Donnell, M, Li, H. | Deposit date: | 2019-07-15 | Release date: | 2019-11-20 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Ctf4 organizes sister replisomes and Pol alpha into a replication factory. Elife, 8, 2019
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4XRJ
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![BU of 4xrj by Molmil](/molmil-images/mine/4xrj) | Crystal structure of ERK2 in complex with an inhibitor | Descriptor: | Mitogen-activated protein kinase 1, N~1~-[3-(benzyloxy)benzyl]-1H-tetrazole-1,5-diamine, SULFATE ION | Authors: | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | Deposit date: | 2015-01-21 | Release date: | 2015-08-12 | Last modified: | 2015-08-19 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography. Acta Crystallogr.,Sect.D, 71, 2015
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5TII
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6QA1
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![BU of 6qa1 by Molmil](/molmil-images/mine/6qa1) | ERK2 mini-fragment binding | Descriptor: | Mitogen-activated protein kinase 1, SULFATE ION, pyridin-2-amine | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | Deposit date: | 2018-12-18 | 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
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4WXJ
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![BU of 4wxj by Molmil](/molmil-images/mine/4wxj) | Drosophila muscle GluRIIB complex with glutamate | Descriptor: | GLUTAMIC ACID, Glutamate receptor IIB,Glutamate receptor IIB | Authors: | Dharkar, P, Mayer, M.L. | Deposit date: | 2014-11-13 | Release date: | 2015-04-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Functional reconstitution of Drosophila melanogaster NMJ glutamate receptors. Proc.Natl.Acad.Sci.USA, 112, 2015
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5TH9
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![BU of 5th9 by Molmil](/molmil-images/mine/5th9) | Structure determination of a potent, selective antibody inhibitor of human MMP9 (GS-5745 bound to MMP-9) | Descriptor: | CALCIUM ION, COBALT HEXAMMINE(III), GS-5745 Fab heavy chain, ... | Authors: | Appleby, T.C, Greenstein, A.E, Kwon, H.J. | Deposit date: | 2016-09-29 | Release date: | 2017-03-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.999 Å) | Cite: | Biochemical characterization and structure determination of a potent, selective antibody inhibitor of human MMP9. J. Biol. Chem., 292, 2017
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5TO5
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![BU of 5to5 by Molmil](/molmil-images/mine/5to5) | Structure of the TPR oligomerization domain | Descriptor: | Nucleoprotein TPR | Authors: | Pal, K, Xu, Q, Zhou, X.E, Melcher, K, Xu, H.E. | Deposit date: | 2016-10-16 | Release date: | 2017-10-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Basis of TPR-Mediated Oligomerization and Activation of Oncogenic Fusion Kinases. Structure, 25, 2017
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5TL9
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![BU of 5tl9 by Molmil](/molmil-images/mine/5tl9) | crystal structure of mPGES-1 bound to inhibitor | Descriptor: | 2-{2-[(1S,2S)-2-{[1-(8-methylquinolin-2-yl)piperidine-4-carbonyl]amino}cyclopentyl]ethyl}benzoic acid, DI(HYDROXYETHYL)ETHER, GLUTATHIONE, ... | Authors: | Luz, J.G, Antonysamy, S, Partridge, K, Fisher, M. | Deposit date: | 2016-10-10 | Release date: | 2017-03-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Discovery and characterization of [(cyclopentyl)ethyl]benzoic acid inhibitors of microsomal prostaglandin E synthase-1. Bioorg. Med. Chem. Lett., 27, 2017
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5TO6
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![BU of 5to6 by Molmil](/molmil-images/mine/5to6) | Structure of the TPR oligomerization domain | Descriptor: | Nucleoprotein TPR | Authors: | Pal, K, Bandyopadhyay, A, Xu, Q, Zhou, X.E, Melcher, K, Xu, H.E. | Deposit date: | 2016-10-16 | Release date: | 2017-10-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Basis of TPR-Mediated Oligomerization and Activation of Oncogenic Fusion Kinases. Structure, 25, 2017
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4V69
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![BU of 4v69 by Molmil](/molmil-images/mine/4v69) | Ternary complex-bound E.coli 70S ribosome. | Descriptor: | 16S rRNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Villa, E, Sengupta, J, Trabuco, L.G, LeBarron, J, Baxter, W.T, Shaikh, T.R, Grassucci, R.A, Nissen, P, Ehrenberg, M, Schulten, K, Frank, J. | Deposit date: | 2008-12-11 | Release date: | 2014-07-09 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (6.7 Å) | Cite: | Ribosome-induced changes in elongation factor Tu conformation control GTP hydrolysis Proc.Natl.Acad.Sci.USA, 106, 2009
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4V6O
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![BU of 4v6o by Molmil](/molmil-images/mine/4v6o) | Structural characterization of mRNA-tRNA translocation intermediates (class 4a of the six classes) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Agirrezabala, X, Liao, H, Schreiner, E, Fu, J, Ortiz-Meoz, R.F, Schulten, K, Green, R, Frank, J. | Deposit date: | 2011-12-07 | Release date: | 2014-07-09 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (14.7 Å) | Cite: | Structural characterization of mRNA-tRNA translocation intermediates. Proc.Natl.Acad.Sci.USA, 109, 2012
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4V70
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![BU of 4v70 by Molmil](/molmil-images/mine/4v70) | E. coli 70S-fMetVal-tRNAVal-tRNAfMet complex in intermediate pre-translocation state (pre3) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Blau, C, Bock, L.V, Schroder, G.F, Davydov, I, Fischer, N, Stark, H, Rodnina, M.V, Vaiana, A.C, Grubmuller, H. | Deposit date: | 2013-10-14 | Release date: | 2014-07-09 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (17 Å) | Cite: | Energy barriers and driving forces in tRNA translocation through the ribosome. Nat.Struct.Mol.Biol., 20, 2013
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