4UAE
 
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7Z10
 | | Monomeric respiratory complex IV isolated from S. cerevisiae | | Descriptor: | COPPER (II) ION, CYTOCHROME C OXIDASE SUBUNIT 3; SYNONYM: CYTOCHROME C OXIDASE POLYPEPTIDE III, COX3, ... | | Authors: | Marechal, A, Hartley, A, Ing, G, Pinotsis, N. | | Deposit date: | 2022-02-24 | | Release date: | 2022-08-03 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.87 Å) | | Cite: | Cryo-EM structure of a monomeric yeast S. cerevisiae complex IV isolated with maltosides: Implications in supercomplex formation.
Biochim Biophys Acta Bioenerg, 1863, 2022
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4YPI
 | | Structure of Ebola virus nucleoprotein N-terminal fragment bound to a peptide derived from Ebola VP35 | | Descriptor: | Nucleoprotein, Polymerase cofactor VP35 | | Authors: | Leung, D.W, Borek, D.M, Binning, J.M, Otwinowski, Z, Amarasinghe, G.K, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2015-03-13 | | Release date: | 2015-04-08 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (3.71 Å) | | Cite: | An Intrinsically Disordered Peptide from Ebola Virus VP35 Controls Viral RNA Synthesis by Modulating Nucleoprotein-RNA Interactions.
Cell Rep, 11, 2015
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1H1B
 | | Crystal structure of human neutrophil elastase complexed with an inhibitor (GW475151) | | Descriptor: | (2S)-3-METHYL-2-((2R,3S)-3-[(METHYLSULFONYL)AMINO]-1-{[2-(PYRROLIDIN-1-YLMETHYL)-1,3-OXAZOL-4-YL]CARBONYL}PYRROLIDIN-2-YL)BUTANOIC ACID, LEUKOCYTE ELASTASE, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Macdonald, S.J.F, Dowle, M.D, Harrison, L.A, Clarke, G.D.E, Inglis, G.G.A, Johnson, M.R, Smith, R.A, Amour, A, Fleetwood, G, Humphreys, D.C, Molloy, C.R, Dixon, M, Godward, R.E, Wonacott, A.J, Singh, O.M.P, Hodgson, S.T, Hardy, G.W. | | Deposit date: | 2002-07-05 | | Release date: | 2002-08-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Further Pyrrolidine Trans-Lactams as Inhibitors of Human Neutrophil Elastase (Hne) with Potential as Development Candidates and the Crystal Structure of Hne Complexed with an Inhibitor (Gw475151)
J.Med.Chem., 45, 2002
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6MZT
 | | Solution structure of alpha-KTx-6.21 (UroTx) from Urodacus yaschenkoi | | Descriptor: | Potassium channel toxin alpha-KTx 6.21 | | Authors: | Chin, Y.K.-Y, Luna-Ramirez, K, Anangi, R, King, G.F. | | Deposit date: | 2018-11-05 | | Release date: | 2020-03-11 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Structural basis of the potency and selectivity of Urotoxin, a potent Kv1 blocker from scorpion venom.
Biochem. Pharmacol., 174, 2020
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6NTV
 | | SFTSV L endonuclease domain | | Descriptor: | RNA polymerase | | Authors: | Wang, W, Amarasinghe, G.K. | | Deposit date: | 2019-01-30 | | Release date: | 2020-01-08 | | Last modified: | 2020-07-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Cap-Snatching SFTSV Endonuclease Domain Is an Antiviral Target.
Cell Rep, 30, 2020
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4WSN
 | | Crystal structure of the COP9 signalosome, a P1 crystal form | | Descriptor: | COP9 signalosome complex subunit 1, COP9 signalosome complex subunit 2, COP9 signalosome complex subunit 3, ... | | Authors: | Bunker, R.D, Lingaraju, G.M, Thoma, N.H. | | Deposit date: | 2014-10-28 | | Release date: | 2015-12-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (5.5 Å) | | Cite: | Cullin-RING ubiquitin E3 ligase regulation by the COP9 signalosome.
Nature, 531, 2016
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6O6I
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6OHX
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5GZN
 | | Structure of neutralizing antibody bound to Zika envelope protein | | Descriptor: | Antibody Heavy chain, Antibody light chain, Genome polyprotein | | Authors: | Wang, Q, Yang, H, Liu, X, Dai, L, Ma, T, Qi, J, Wong, G, Peng, R, Liu, S, Li, J, Li, S, Song, J, Liu, J, He, J, Yuan, H, Xiong, Y, Liao, Y, Li, J, Yang, J, Tong, Z, Griffin, B, Bi, Y, Liang, M, Xu, X, Cheng, G, Wang, P, Qiu, X, Kobinger, G, Shi, Y, Yan, J, Gao, G.F. | | Deposit date: | 2016-09-29 | | Release date: | 2016-12-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Molecular determinants of human neutralizing antibodies isolated from a patient infected with Zika virus
Sci Transl Med, 8, 2016
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5HIE
 | | BRAF Kinase domain b3aC loop deletion mutant in complex with dabrafenib | | Descriptor: | Dabrafenib, Serine/threonine-protein kinase B-raf | | Authors: | Whalen, D.M, Foster, S.A, Ozen, A, Wongchenko, M, Yin, J, Schaefer, G, Mayfield, J, Chmielecki, J, Stephens, P, Albacker, L, Yan, Y, Song, K, Hatzivassiliou, G, Eigenbrot, C, Yu, C, Shaw, A.S, Manning, G, Skelton, N.J, Hymowitz, S.G, Malek, S. | | Deposit date: | 2016-01-11 | | Release date: | 2016-04-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2.
Cancer Cell, 29, 2016
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4XZR
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5HID
 | | BRAF Kinase domain b3aC loop deletion mutant in complex with AZ628 | | Descriptor: | 3-(2-cyanopropan-2-yl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide, DI(HYDROXYETHYL)ETHER, Serine/threonine-protein kinase B-raf | | Authors: | Whalen, D.M, Foster, S.A, Ozen, A, Wongchenko, M, Yin, J, Schaefer, G, Mayfield, J, Chmielecki, J, Stephens, P, Albacker, L, Yan, Y, Song, K, Hatzivassiliou, G, Eigenbrot, C, Yu, C, Shaw, A.S, Manning, G, Skelton, N.J, Hymowitz, S.G, Malek, S. | | Deposit date: | 2016-01-11 | | Release date: | 2016-04-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2.
Cancer Cell, 29, 2016
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4YI0
 | | Structure of mouse importin a1 bound to Pom121NLS | | Descriptor: | Importin subunit alpha-1, Nuclear envelope pore membrane protein POM 121 | | Authors: | Lokareddy, R.K, Cingolani, G. | | Deposit date: | 2015-02-27 | | Release date: | 2016-01-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.806 Å) | | Cite: | Mammalian Pom121 and yeast Heh2 share IBB-like NLSs that support targeting to the inner nuclear membrane
To Be Published
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5MWD
 | | Crystal structure of the BCL6 BTB-domain with compound 2 | | Descriptor: | 5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one, B-cell lymphoma 6 protein | | Authors: | Bader, G, Flotzinger, G, Weiss-Puxbaum, A, Zoephel, A. | | Deposit date: | 2017-01-18 | | Release date: | 2017-10-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Chemically Induced Degradation of the Oncogenic Transcription Factor BCL6.
Cell Rep, 20, 2017
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6WI6
 | | Crystal structure of plantacyclin B21AG | | Descriptor: | MALONATE ION, Plantacyclin B21AG | | Authors: | Smith, A.T, Gor, M.C, Vezina, B, McMahon, R, King, G, Panjikar, S, Rehm, B, Martin, J. | | Deposit date: | 2020-04-08 | | Release date: | 2021-01-06 | | Last modified: | 2021-02-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure and site-directed mutagenesis of circular bacteriocin plantacyclin B21AG reveals cationic and aromatic residues important for antimicrobial activity.
Sci Rep, 10, 2020
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5HI2
 | | BRAF Kinase domain b3aC loop deletion mutant in complex with sorafenib | | Descriptor: | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, Serine/threonine-protein kinase B-raf | | Authors: | Whalen, D.M, Foster, S.A, Ozen, A, Wongchenko, M, Yin, J, Schaefer, G, Mayfield, J, Chmielecki, J, Stephens, P, Albacker, L, Yan, Y, Song, K, Hatzivassiliou, G, Eigenbrot, C, Yu, C, Shaw, A.S, Manning, G, Skelton, N.J, Hymowitz, S.G, Malek, S. | | Deposit date: | 2016-01-11 | | Release date: | 2016-04-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.512 Å) | | Cite: | Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2.
Cancer Cell, 29, 2016
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5MW2
 | | CRYSTAL STRUCTURE OF BCL-6 BTB-domain with BI-3802 | | Descriptor: | 2-[6-[[5-chloranyl-2-[(3~{S},5~{R})-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxidanylidene-quinolin-3-yl]oxy-~{N}-methyl-ethanamide, B-cell lymphoma 6 protein | | Authors: | Bader, G, Flotzinger, G, Weiss-Puxbaum, A, Zoephel, A. | | Deposit date: | 2017-01-18 | | Release date: | 2017-10-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Chemically Induced Degradation of the Oncogenic Transcription Factor BCL6.
Cell Rep, 20, 2017
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5JJ3
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5INZ
 | | Racemic structure of baboon theta defensin-2 | | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, Theta defensin-2, ... | | Authors: | Wang, C.K, King, G.J, Conibear, A.C, Ramos, M.C, Craik, D.J. | | Deposit date: | 2016-03-08 | | Release date: | 2016-04-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.447 Å) | | Cite: | Mirror Images of Antimicrobial Peptides Provide Reflections on Their Functions and Amyloidogenic Properties.
J.Am.Chem.Soc., 138, 2016
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5JJ1
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1SDX
 | | Crystal structure of the zinc saturated C-terminal half of bovine lactoferrin at 2.0 A resolution reveals two additional zinc binding sites | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, Lactotransferrin, ... | | Authors: | Jabeen, T, Sharma, S, Singhal, G, Singh, N, Singh, T.P. | | Deposit date: | 2004-02-15 | | Release date: | 2004-03-02 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Structure of the zinc-saturated C-terminal lobe of bovine lactoferrin at 2.0 A resolution.
Acta Crystallogr.,Sect.D, 61, 2005
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5HUY
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5HUW
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6E0I
 | | Crystal structure of Glucokinase in complex with compound 72 | | Descriptor: | 1-{4-[5-({3-[(2-methylpyridin-3-yl)oxy]-5-[(pyridin-2-yl)sulfanyl]pyridin-2-yl}amino)-1,2,4-thiadiazol-3-yl]piperidin-1 -yl}ethan-1-one, DIMETHYL SULFOXIDE, Glucokinase, ... | | Authors: | Hinklin, R.J, Baer, B.R, Boyd, S.A, Chicarelli, M.D, Condroski, K.R, DeWolf, W.E, Fischer, J, Frank, M, Hingorani, G.P, Lee, P.A, Neitzel, N.A, Pratt, S.A, Singh, A, Sullivan, F.X, Turner, T, Voegtli, W.C, Wallace, E.M, Williams, L, Aicher, T.D. | | Deposit date: | 2018-07-06 | | Release date: | 2019-07-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery and preclinical development of AR453588 as an anti-diabetic glucokinase activator.
Bioorg.Med.Chem., 28, 2020
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