5EXS
 
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5EXX
 | | AAA+ ATPase FleQ from Pseudomonas aeruginosa bound to c-di-GMP | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), SULFATE ION, Transcriptional regulator FleQ | | Authors: | Navarro, M.V.A.S, Sondermann, H, Krasteva, P.V. | | Deposit date: | 2015-11-24 | | Release date: | 2016-02-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.311 Å) | | Cite: | Mechanistic insights into c-di-GMP-dependent control of the biofilm regulator FleQ from Pseudomonas aeruginosa.
Proc.Natl.Acad.Sci.USA, 113, 2016
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8P4X
 | | FAD_ox bound dark state structure of PdLCry | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, Putative light-receptive cryptochrome (Fragment) | | Authors: | Behrmann, E, Behrmann, H. | | Deposit date: | 2023-05-23 | | Release date: | 2023-11-08 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.57 Å) | | Cite: | A marine cryptochrome with an inverse photo-oligomerization mechanism.
Nat Commun, 14, 2023
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4DQW
 | | Crystal Structure Analysis of PA3770 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, Inosine-5'-monophosphate dehydrogenase, ... | | Authors: | Labesse, G, Munier-Lehmann, H. | | Deposit date: | 2012-02-16 | | Release date: | 2013-03-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | MgATP Regulates Allostery and Fiber Formation in IMPDHs.
Structure, 21, 2013
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5EUH
 | | Crystal structure of the c-di-GMP-bound GGDEF domain of P. fluorescens GcbC | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Putative GGDEF domain membrane protein, SULFATE ION | | Authors: | Giglio, K.M, Cooley, R.B, Sondermann, H. | | Deposit date: | 2015-11-18 | | Release date: | 2015-12-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.989 Å) | | Cite: | Contribution of Physical Interactions to Signaling Specificity between a Diguanylate Cyclase and Its Effector.
Mbio, 6, 2015
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4DX0
 | | Structure of the 14-3-3/PMA2 complex stabilized by a pyrazole derivative | | Descriptor: | 14-3-3-like protein E, 4-[(4R)-4-(4-nitrophenyl)-6-oxidanylidene-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoic acid, N.plumbaginifolia H+-translocating ATPase mRNA | | Authors: | Richter, A, Rose, R, Hedberg, C, Waldmann, H, Ottmann, C. | | Deposit date: | 2012-02-27 | | Release date: | 2012-05-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | An Optimised Small-Molecule Stabiliser of the 14-3-3-PMA2 Protein-Protein Interaction.
Chemistry, 18, 2012
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4EH3
 | | Human p38 MAP kinase in complex with NP-F2 and RL87 | | Descriptor: | Mitogen-activated protein kinase 14, NARINGENIN, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine | | Authors: | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | | Deposit date: | 2012-04-02 | | Release date: | 2012-12-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
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4EH6
 | | Human p38 MAP kinase in complex with NP-F5 and RL87 | | Descriptor: | Mitogen-activated protein kinase 14, N-phenylpyridine-3-carboxamide, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine | | Authors: | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | | Deposit date: | 2012-04-02 | | Release date: | 2012-12-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
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5V7X
 | | Crystal Structure of Myosin 1b residues 1-728 with bound sulfate and Calmodulin | | Descriptor: | Calmodulin-1, SULFATE ION, Unconventional myosin-Ib | | Authors: | Zwolak, A, Shuman, H, Dominguez, R, Ostap, E.M. | | Deposit date: | 2017-03-20 | | Release date: | 2018-02-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.141 Å) | | Cite: | High-resolution cryo-EM structures of actin-bound myosin states reveal the mechanism of myosin force sensing.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5VGR
 | | Human Atlastin-3, GDP-bound | | Descriptor: | Atlastin-3, GUANOSINE-5'-DIPHOSPHATE | | Authors: | O'Donnell, J.P, Sondermann, H. | | Deposit date: | 2017-04-11 | | Release date: | 2017-05-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.096 Å) | | Cite: | Timing and Reset Mechanism of GTP Hydrolysis-Driven Conformational Changes of Atlastin.
Structure, 25, 2017
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7K5L
 | | Ebola virus VP40 octameric ring generated by an RNA oligonucleotide | | Descriptor: | HSP RNA oligonucleotide, Matrix protein VP40 | | Authors: | Landeras-Bueno, S, Wasserman, H, Salie, Z.L, Saphire, E.O. | | Deposit date: | 2020-09-17 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Cellular mRNA triggers structural transformation of Ebola virus matrix protein VP40 to its essential regulatory form.
Cell Rep, 35, 2021
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7K5D
 | | Ebola virus VP40 octameric ring generated by a DNA oligonucleotide | | Descriptor: | HSP DNA oligonucleotide, Matrix protein VP40 | | Authors: | Landeras-Bueno, S, Wasserman, H, Salie, Z.L, Saphire, E.O. | | Deposit date: | 2020-09-16 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Cellular mRNA triggers structural transformation of Ebola virus matrix protein VP40 to its essential regulatory form.
Cell Rep, 35, 2021
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4K4E
 | | Co-crystal structure of tnks1 with compound 52 [N~2-(5-chloro-2-methoxyphenyl)-N-[trans-4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)cyclohexyl]glycinamide] | | Descriptor: | N~2~-(5-chloro-2-methoxyphenyl)-N-[trans-4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)cyclohexyl]glycinamide, Tankyrase-1, ZINC ION | | Authors: | Huang, X. | | Deposit date: | 2013-04-12 | | Release date: | 2013-06-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of novel, induced-pocket binding oxazolidinones as potent, selective, and orally bioavailable tankyrase inhibitors.
J.Med.Chem., 56, 2013
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6S2V
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6S2T
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6S2U
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6OML
 | | Human BMP chimera BV261 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Bone morphogenetic protein 2 and Bone morphogenetic protein 6, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Seeherman, H, Juo, Z.S. | | Deposit date: | 2019-04-18 | | Release date: | 2019-05-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A BMP/activin A chimera is superior to native BMPs and induces bone repair in nonhuman primates when delivered in a composite matrix.
Sci Transl Med, 11, 2019
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4I9I
 | | Crystal structure of tankyrase 1 with compound 4 | | Descriptor: | N-(2-methoxyphenyl)-4-{[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]amino}benzamide, Tankyrase-1, ZINC ION | | Authors: | Huang, X. | | Deposit date: | 2012-12-05 | | Release date: | 2013-02-06 | | Last modified: | 2013-05-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of a class of novel tankyrase inhibitors that bind to both the nicotinamide pocket and the induced pocket.
J.Med.Chem., 56, 2013
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7YM0
 | | Lysoplasmalogen-specific phospholipase D (LyPls-PLD) with Ca2+ | | Descriptor: | CALCIUM ION, Lysoplasmalogenase | | Authors: | Yasutake, Y, Sakasegawa, S, Sugimori, D, Murayama, K. | | Deposit date: | 2022-07-27 | | Release date: | 2023-01-04 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Structural basis for the substrate specificity switching of lysoplasmalogen-specific phospholipase D from Thermocrispum sp. RD004668.
Biosci.Biotechnol.Biochem., 87, 2022
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7R0N
 | | KRasG12C in complex with GDP and compound 2 | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Ostermann, N. | | Deposit date: | 2022-02-02 | | Release date: | 2022-04-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Discovery, Preclinical Characterization, and Early Clinical Activity of JDQ443, a Structurally Novel, Potent, and Selective Covalent Oral Inhibitor of KRASG12C.
Cancer Discov, 12, 2022
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7R0Q
 | | KRasG12C in complex with GDP and compound 3 | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Ostermann, N. | | Deposit date: | 2022-02-02 | | Release date: | 2022-04-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery, Preclinical Characterization, and Early Clinical Activity of JDQ443, a Structurally Novel, Potent, and Selective Covalent Oral Inhibitor of KRASG12C.
Cancer Discov, 12, 2022
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7R0M
 | | KRasG12C in complex with GDP and JDQ443 | | Descriptor: | 1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-(1-methylindazol-5-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Ostermann, N. | | Deposit date: | 2022-02-02 | | Release date: | 2022-04-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.611 Å) | | Cite: | Discovery, Preclinical Characterization, and Early Clinical Activity of JDQ443, a Structurally Novel, Potent, and Selective Covalent Oral Inhibitor of KRASG12C.
Cancer Discov, 12, 2022
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4ET9
 | | Hen egg-white lysozyme solved from 5 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
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4ETD
 | | Lysozyme, room-temperature, rotating anode, 0.0026 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 (1.904 Å) | | Cite: | High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
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4ETA
 | | Lysozyme, room temperature, 400 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 (1.91 Å) | | Cite: | High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
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