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6WL1
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BU of 6wl1 by Molmil
Cryo-EM of Form 1 related peptide filament, 36-31-3
Descriptor: peptide 36-31-3
Authors:Wang, F, Gnewou, O.M, Modlin, C, Egelman, E.H, Conticello, V.P.
Deposit date:2020-04-17
Release date:2020-12-02
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural analysis of cross alpha-helical nanotubes provides insight into the designability of filamentous peptide nanomaterials.
Nat Commun, 12, 2021
6XHA
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BU of 6xha by Molmil
Crystal Structure of KRAS-G12V (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF
Descriptor: CHLORIDE ION, GLYCEROL, Isoform 2B of GTPase KRas, ...
Authors:Tran, T.H, Chan, A.H, Dharmaiah, S, Simanshu, D.K.
Deposit date:2020-06-18
Release date:2021-01-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation.
Nat Commun, 12, 2021
6XGV
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BU of 6xgv by Molmil
Crystal Structure of KRAS-G13D (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF
Descriptor: CHLORIDE ION, GLYCEROL, GTPase KRas, ...
Authors:Tran, T.H, Chan, A.H, Dharmaiah, S, Simanshu, D.K.
Deposit date:2020-06-18
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation.
Nat Commun, 12, 2021
6XHB
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BU of 6xhb by Molmil
Crystal Structure of wild-type KRAS (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF (crystal form II)
Descriptor: CHLORIDE ION, GLYCEROL, GTPase KRas, ...
Authors:Tran, T.H, Chan, A.H, Dharmaiah, S, Simanshu, D.K.
Deposit date:2020-06-18
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation.
Nat Commun, 12, 2021
6WKY
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BU of 6wky by Molmil
Cryo-EM of Form 1 related peptide filament, 29-24-3
Descriptor: peptide 29-24-3
Authors:Wang, F, Gnewou, O.M, Egelman, E.H, Conticello, V.P.
Deposit date:2020-04-17
Release date:2020-12-02
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural analysis of cross alpha-helical nanotubes provides insight into the designability of filamentous peptide nanomaterials.
Nat Commun, 12, 2021
6WL8
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BU of 6wl8 by Molmil
Cryo-EM of Form 2 peptide filament
Descriptor: Form 2 peptide
Authors:Wang, F, Gnewou, O.M, Xu, C, Su, Z, Egelman, E.H, Conticello, V.P.
Deposit date:2020-04-18
Release date:2020-12-02
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural analysis of cross alpha-helical nanotubes provides insight into the designability of filamentous peptide nanomaterials.
Nat Commun, 12, 2021
6YXS
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BU of 6yxs by Molmil
Crystal structure of the apo form of choline kinase from Plasmodium falciparum
Descriptor: Choline kinase, GLYCEROL, MAGNESIUM ION, ...
Authors:Torretta, A, Parisini, E.
Deposit date:2020-05-03
Release date:2020-08-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Apo and the ADP-Bound Form of Choline Kinase from Plasmodium falciparum
Crystals, 2020
6YXT
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BU of 6yxt by Molmil
Crystal structure of the ADP-bound form of choline kinase from Plasmodium falciparum
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Choline kinase, ...
Authors:Torretta, A, Parisini, E.
Deposit date:2020-05-03
Release date:2020-08-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of the Apo and the ADP-Bound Form of Choline Kinase from Plasmodium falciparum
Crystals, 2020
2WU8
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BU of 2wu8 by Molmil
Structural studies of phosphoglucose isomerase from Mycobacterium tuberculosis H37Rv
Descriptor: GLUCOSE-6-PHOSPHATE ISOMERASE, SULFATE ION
Authors:Anand, K.
Deposit date:2009-10-01
Release date:2009-10-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural Studies of Phosphoglucose Isomerase from Mycobacterium Tuberculosis H37Rv
Acta Crystallogr.,Sect.F, 66, 2010
2XA7
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BU of 2xa7 by Molmil
AP2 clathrin adaptor core in active complex with cargo peptides
Descriptor: ADAPTOR-RELATED PROTEIN COMPLEX 2, ALPHA 2 SUBUNIT, AP-2 COMPLEX SUBUNIT BETA, ...
Authors:Jackson, L.P, Kelly, B.T, McCoy, A.J, Evans, P.R, Owen, D.J.
Deposit date:2010-03-29
Release date:2010-07-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A Large Scale Conformational Change Couples Membrane Recruitment to Cargo Binding in the Ap2 Clathrin Adaptor Complex
Cell(Cambridge,Mass.), 141, 2010
3A3Z
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BU of 3a3z by Molmil
Crystal structure of the human VDR ligand binding domain bound to the synthetic agonist compound 2alpha-methyl-AMCR277A(C23S)
Descriptor: (1S,2S,3R,5Z,7E,14beta,17alpha)-17-[(2S,4S)-4-(2-hydroxy-2-methylpropyl)-2-methyltetrahydrofuran-2-yl]-2-methyl-9,10-secoandrosta-5,7,10-triene-1,3-diol, SULFATE ION, Vitamin D3 receptor
Authors:Sato, Y, Antony, P, Huet, T, Sigueiro, R, Rochel, N, Moras, D, Structural Proteomics in Europe 2 (SPINE-2)
Deposit date:2009-06-25
Release date:2010-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structure-function relationships and crystal structures of the vitamin D receptor bound 2 alpha-methyl-(20S,23S)- and 2 alpha-methyl-(20S,23R)-epoxymethano-1 alpha,25-dihydroxyvitamin D3
J.Med.Chem., 53, 2010
4ETC
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BU of 4etc by Molmil
Lysozyme, room temperature, 24 kGy dose
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I.
Deposit date:2012-04-24
Release date:2012-06-13
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.906 Å)
Cite:High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
4ET8
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BU of 4et8 by Molmil
Hen egg-white lysozyme solved from 40 fs free-electron laser pulse data
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I.
Deposit date:2012-04-24
Release date:2012-06-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
4ETB
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BU of 4etb by Molmil
lysozyme, room temperature, 200 kGy dose
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I.
Deposit date:2012-04-24
Release date:2012-06-13
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.908 Å)
Cite:High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
4ETE
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BU of 4ete by Molmil
Lysozyme, room-temperature, rotating anode, 0.0021 MGy
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I.
Deposit date:2012-04-24
Release date:2012-06-13
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.905 Å)
Cite:High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
4GFO
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BU of 4gfo by Molmil
TYK2 kinase (JH1 domain) with 2,6-DICHLORO-N-(2-OXO-2,5-DIHYDROPYRIDIN-4-YL)BENZAMIDE
Descriptor: 1,2-ETHANEDIOL, 2,6-dichloro-N-(2-oxo-2,5-dihydropyridin-4-yl)benzamide, GLYCEROL, ...
Authors:Eigenbrot, C, Ultsch, M.
Deposit date:2012-08-03
Release date:2013-06-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Lead identification of novel and selective TYK2 inhibitors.
Eur.J.Med.Chem., 67, 2013
4GJ3
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BU of 4gj3 by Molmil
Tyk2 (JH1) in complex with 2,6-dichloro-4-cyano-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide
Descriptor: 2,6-dichloro-4-cyano-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Ultsch, M.H.
Deposit date:2012-08-09
Release date:2013-05-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors.
J.Med.Chem., 56, 2013
4GC8
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BU of 4gc8 by Molmil
Crystal structure of FliM middle domain from H. pylori
Descriptor: Flagellar motor switch protein
Authors:Lam, K.H, Au, S.W.N.
Deposit date:2012-07-30
Release date:2013-05-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of FliG-FliM interaction in Helicobacter pylori
Mol.Microbiol., 88, 2013
4G3G
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BU of 4g3g by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) V408L bound to a 2-(aminothiazolyl)phenol (cmp3)
Descriptor: 4-fluoro-2-{[4-(pyridin-4-yl)-1,3-thiazol-2-yl]amino}phenol, NF-kappa-beta-inducing kinase
Authors:Hymowitz, S.
Deposit date:2012-07-13
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of the catalytic domain of the NF-kappaB inducing kinase reveals a narrow but flexible active site.
Structure, 20, 2012
4G3E
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BU of 4g3e by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to a 6-alkynylindoline (cmp1)
Descriptor: (2R)-4-[1-(2-amino-5-chloropyrimidin-4-yl)-2,3-dihydro-1H-indol-6-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol, NF-kappa-beta-inducing kinase, SULFATE ION
Authors:Hymowitz, S.G, de Leon-Boenig, G.
Deposit date:2012-07-13
Release date:2012-08-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of the catalytic domain of the NF-kappaB inducing kinase reveals a narrow but flexible active site.
Structure, 20, 2012
4DJE
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BU of 4dje by Molmil
Crystal structure of folate-bound corrinoid iron-sulfur protein (CFeSP) in complex with its methyltransferase (MeTr), co-crystallized with folate
Descriptor: 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, 5-methyltetrahydrofolate corrinoid/iron sulfur protein methyltransferase, CALCIUM ION, ...
Authors:Kung, Y, Drennan, C.L.
Deposit date:2012-02-01
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.504 Å)
Cite:Visualizing molecular juggling within a B12-dependent methyltransferase complex.
Nature, 484, 2012
5CR5
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BU of 5cr5 by Molmil
X-RAY CRYSTAL STRUCTURE AT 1.61A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A BIPHENYL PYRROLIDINE ETHER COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
Descriptor: 1,2-ETHANEDIOL, 3-({(3R)-1-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}oxy)-N-methyl-2'-[(methylsulfonyl)amino]biphenyl-4-carboxamide, Branched-chain-amino-acid aminotransferase, ...
Authors:Somers, D.O.
Deposit date:2015-07-22
Release date:2015-08-12
Last modified:2015-09-02
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Discovery, SAR, and X-ray Binding Mode Study of BCATm Inhibitors from a Novel DNA-Encoded Library.
Acs Med.Chem.Lett., 6, 2015
4G3F
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BU of 4g3f by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to a 2-(aminothiazoly)phenol (cmp2)
Descriptor: 3-{2-[(5-fluoro-2-hydroxyphenyl)amino]-1,3-thiazol-4-yl}benzonitrile, NF-kappa-beta-inducing kinase
Authors:Hymowitz, S.G, de Leon-Boenig, G.
Deposit date:2012-07-13
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.642 Å)
Cite:The crystal structure of the catalytic domain of the NF-kappaB inducing kinase reveals a narrow but flexible active site.
Structure, 20, 2012
4GJ2
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BU of 4gj2 by Molmil
Tyk2 (JH1) in complex with 2,6-dichloro-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide
Descriptor: 2,6-dichloro-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Ultsch, M.H.
Deposit date:2012-08-09
Release date:2013-05-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors.
J.Med.Chem., 56, 2013
5CZH
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BU of 5czh by Molmil
EGFR L858R MUTANT IN COMPLEX WITH AN OPTIMAL PEPTIDE SUBSTRATE
Descriptor: Epidermal growth factor receptor, Peptide substrate
Authors:Yun, C.H, Eck, M.J.
Deposit date:2015-07-31
Release date:2015-09-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:EGF-receptor specificity for phosphotyrosine-primed substrates provides signal integration with Src.
Nat.Struct.Mol.Biol., 22, 2015

224931

數據於2024-09-11公開中

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