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5EXS
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AAA+ ATPase FleQ from Pseudomonas aeruginosa bound to ATP-gamma-S
分子名称: PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transcriptional regulator FleQ
著者Navarro, M.V.A.S, Sondermann, H, Matsuyama, B.
登録日2015-11-24
公開日2016-01-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Mechanistic insights into c-di-GMP-dependent control of the biofilm regulator FleQ from Pseudomonas aeruginosa.
Proc.Natl.Acad.Sci.USA, 113, 2016
5EXX
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AAA+ ATPase FleQ from Pseudomonas aeruginosa bound to c-di-GMP
分子名称: 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
著者Navarro, M.V.A.S, Sondermann, H, Krasteva, P.V.
登録日2015-11-24
公開日2016-02-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.311 Å)
主引用文献Mechanistic insights into c-di-GMP-dependent control of the biofilm regulator FleQ from Pseudomonas aeruginosa.
Proc.Natl.Acad.Sci.USA, 113, 2016
8P4X
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BU of 8p4x by Molmil
FAD_ox bound dark state structure of PdLCry
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, Putative light-receptive cryptochrome (Fragment)
著者Behrmann, E, Behrmann, H.
登録日2023-05-23
公開日2023-11-08
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.57 Å)
主引用文献A marine cryptochrome with an inverse photo-oligomerization mechanism.
Nat Commun, 14, 2023
4DQW
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BU of 4dqw by Molmil
Crystal Structure Analysis of PA3770
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, Inosine-5'-monophosphate dehydrogenase, ...
著者Labesse, G, Munier-Lehmann, H.
登録日2012-02-16
公開日2013-03-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献MgATP Regulates Allostery and Fiber Formation in IMPDHs.
Structure, 21, 2013
5EUH
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Crystal structure of the c-di-GMP-bound GGDEF domain of P. fluorescens GcbC
分子名称: 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
著者Giglio, K.M, Cooley, R.B, Sondermann, H.
登録日2015-11-18
公開日2015-12-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.989 Å)
主引用文献Contribution of Physical Interactions to Signaling Specificity between a Diguanylate Cyclase and Its Effector.
Mbio, 6, 2015
4DX0
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BU of 4dx0 by Molmil
Structure of the 14-3-3/PMA2 complex stabilized by a pyrazole derivative
分子名称: 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
著者Richter, A, Rose, R, Hedberg, C, Waldmann, H, Ottmann, C.
登録日2012-02-27
公開日2012-05-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献An Optimised Small-Molecule Stabiliser of the 14-3-3-PMA2 Protein-Protein Interaction.
Chemistry, 18, 2012
4EH3
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Human p38 MAP kinase in complex with NP-F2 and RL87
分子名称: Mitogen-activated protein kinase 14, NARINGENIN, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine
著者Over, B, Gruetter, C, Waldmann, H, Rauh, D.
登録日2012-04-02
公開日2012-12-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
4EH6
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Human p38 MAP kinase in complex with NP-F5 and RL87
分子名称: Mitogen-activated protein kinase 14, N-phenylpyridine-3-carboxamide, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine
著者Over, B, Gruetter, C, Waldmann, H, Rauh, D.
登録日2012-04-02
公開日2012-12-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
5V7X
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Crystal Structure of Myosin 1b residues 1-728 with bound sulfate and Calmodulin
分子名称: Calmodulin-1, SULFATE ION, Unconventional myosin-Ib
著者Zwolak, A, Shuman, H, Dominguez, R, Ostap, E.M.
登録日2017-03-20
公開日2018-02-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.141 Å)
主引用文献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
5VGR
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BU of 5vgr by Molmil
Human Atlastin-3, GDP-bound
分子名称: Atlastin-3, GUANOSINE-5'-DIPHOSPHATE
著者O'Donnell, J.P, Sondermann, H.
登録日2017-04-11
公開日2017-05-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.096 Å)
主引用文献Timing and Reset Mechanism of GTP Hydrolysis-Driven Conformational Changes of Atlastin.
Structure, 25, 2017
7K5L
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BU of 7k5l by Molmil
Ebola virus VP40 octameric ring generated by an RNA oligonucleotide
分子名称: HSP RNA oligonucleotide, Matrix protein VP40
著者Landeras-Bueno, S, Wasserman, H, Salie, Z.L, Saphire, E.O.
登録日2020-09-17
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Cellular mRNA triggers structural transformation of Ebola virus matrix protein VP40 to its essential regulatory form.
Cell Rep, 35, 2021
7K5D
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Ebola virus VP40 octameric ring generated by a DNA oligonucleotide
分子名称: HSP DNA oligonucleotide, Matrix protein VP40
著者Landeras-Bueno, S, Wasserman, H, Salie, Z.L, Saphire, E.O.
登録日2020-09-16
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Cellular mRNA triggers structural transformation of Ebola virus matrix protein VP40 to its essential regulatory form.
Cell Rep, 35, 2021
4K4E
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BU of 4k4e by Molmil
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]
分子名称: N~2~-(5-chloro-2-methoxyphenyl)-N-[trans-4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)cyclohexyl]glycinamide, Tankyrase-1, ZINC ION
著者Huang, X.
登録日2013-04-12
公開日2013-06-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of novel, induced-pocket binding oxazolidinones as potent, selective, and orally bioavailable tankyrase inhibitors.
J.Med.Chem., 56, 2013
6S2V
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BU of 6s2v by Molmil
Structure of the N-terminal catalytic region of T. thermophilus Rel
分子名称: (P)ppGpp synthetase I, SpoT/RelA, CHLORIDE ION, ...
著者Garcia-Pino, A.
登録日2019-06-22
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献A nucleotide-switch mechanism mediates opposing catalytic activities of Rel enzymes.
Nat.Chem.Biol., 16, 2020
6S2T
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Structure of the N-terminal catalytic region of T. thermophilus Rel bound to ppGpp
分子名称: (P)ppGpp synthetase I, SpoT/RelA, CHLORIDE ION, ...
著者Garcia-Pino, A.
登録日2019-06-22
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献A nucleotide-switch mechanism mediates opposing catalytic activities of Rel enzymes.
Nat.Chem.Biol., 16, 2020
6S2U
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Structure of the catalytic domain of T. thermophilus Rel in complex with AMP and ppGpp
分子名称: (P)ppGpp synthetase I, SpoT/RelA, ADENOSINE MONOPHOSPHATE, ...
著者Garcia-Pino, A.
登録日2019-06-22
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献A nucleotide-switch mechanism mediates opposing catalytic activities of Rel enzymes.
Nat.Chem.Biol., 16, 2020
6OML
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BU of 6oml by Molmil
Human BMP chimera BV261
分子名称: 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
著者Seeherman, H, Juo, Z.S.
登録日2019-04-18
公開日2019-05-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献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
4I9I
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BU of 4i9i by Molmil
Crystal structure of tankyrase 1 with compound 4
分子名称: N-(2-methoxyphenyl)-4-{[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]amino}benzamide, Tankyrase-1, ZINC ION
著者Huang, X.
登録日2012-12-05
公開日2013-02-06
最終更新日2013-05-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a class of novel tankyrase inhibitors that bind to both the nicotinamide pocket and the induced pocket.
J.Med.Chem., 56, 2013
7YM0
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Lysoplasmalogen-specific phospholipase D (LyPls-PLD) with Ca2+
分子名称: CALCIUM ION, Lysoplasmalogenase
著者Yasutake, Y, Sakasegawa, S, Sugimori, D, Murayama, K.
登録日2022-07-27
公開日2023-01-04
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Structural basis for the substrate specificity switching of lysoplasmalogen-specific phospholipase D from Thermocrispum sp. RD004668.
Biosci.Biotechnol.Biochem., 87, 2022
7R0N
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BU of 7r0n by Molmil
KRasG12C in complex with GDP and compound 2
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Ostermann, N.
登録日2022-02-02
公開日2022-04-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Discovery, Preclinical Characterization, and Early Clinical Activity of JDQ443, a Structurally Novel, Potent, and Selective Covalent Oral Inhibitor of KRASG12C.
Cancer Discov, 12, 2022
7R0Q
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KRasG12C in complex with GDP and compound 3
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Ostermann, N.
登録日2022-02-02
公開日2022-04-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery, Preclinical Characterization, and Early Clinical Activity of JDQ443, a Structurally Novel, Potent, and Selective Covalent Oral Inhibitor of KRASG12C.
Cancer Discov, 12, 2022
7R0M
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KRasG12C in complex with GDP and JDQ443
分子名称: 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, ...
著者Ostermann, N.
登録日2022-02-02
公開日2022-04-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.611 Å)
主引用文献Discovery, Preclinical Characterization, and Early Clinical Activity of JDQ443, a Structurally Novel, Potent, and Selective Covalent Oral Inhibitor of KRASG12C.
Cancer Discov, 12, 2022
4ET9
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Hen egg-white lysozyme solved from 5 fs free-electron laser pulse data
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者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.
登録日2012-04-24
公開日2012-06-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
4ETD
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BU of 4etd by Molmil
Lysozyme, room-temperature, rotating anode, 0.0026 MGy
分子名称: CHLORIDE ION, Lysozyme C
著者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.
登録日2012-04-24
公開日2012-06-13
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.904 Å)
主引用文献High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
4ETA
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BU of 4eta by Molmil
Lysozyme, room temperature, 400 kGy dose
分子名称: CHLORIDE ION, Lysozyme C
著者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.
登録日2012-04-24
公開日2012-06-13
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012

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