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4ET8
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Hen egg-white lysozyme solved from 40 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
4ETB
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lysozyme, room temperature, 200 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 (1.908 Å)
主引用文献High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
4NDD
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BU of 4ndd by Molmil
X-ray structure of a double mutant of calexcitin - a neuronal calcium-signalling protein
分子名称: CALCIUM ION, Calexcitin
著者Erskine, P.T, Fokas, A, Muriithi, C, Razzall, E, Bowyer, A, Findlow, I.S, Werner, J.M, Wallace, B.A, Wood, S.P, Cooper, J.B.
登録日2013-10-25
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献X-ray, spectroscopic and normal-mode dynamics of calexcitin: structure-function studies of a neuronal calcium-signalling protein.
Acta Crystallogr.,Sect.D, 71, 2015
4ETE
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BU of 4ete by Molmil
Lysozyme, room-temperature, rotating anode, 0.0021 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 (1.905 Å)
主引用文献High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
4JGQ
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BU of 4jgq by Molmil
The crystal structure of sporulation kinase D mutant sensor domain, r131a, from Bacillus subtilis subsp in co-crystallization with pyruvate
分子名称: ACETIC ACID, Sporulation kinase D
著者Wu, R, Schiffer, M, Gu, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2013-03-01
公開日2013-05-15
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Insight into the sporulation phosphorelay: Crystal structure of the sensor domain of Bacillus subtilis histidine kinase, KinD.
Protein Sci., 22, 2013
4JGR
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BU of 4jgr by Molmil
The crystal structure of sporulation kinase D mutant sensor domain, R131A, from Bacillus subtilis subsp at 2.4A resolution
分子名称: ACETIC ACID, GLYCEROL, Sporulation kinase D
著者Wu, R, Schiffer, M, Gu, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2013-03-01
公開日2013-05-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Insight into the sporulation phosphorelay: Crystal structure of the sensor domain of Bacillus subtilis histidine kinase, KinD.
Protein Sci., 22, 2013
4JGO
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BU of 4jgo by Molmil
The crystal structure of sporulation kinase d sensor domain from Bacillus subtilis subsp.
分子名称: GLYCEROL, PYRUVIC ACID, Sporulation kinase D
著者Wu, R, Schiffer, M, Gu, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2013-03-01
公開日2013-05-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Insight into the sporulation phosphorelay: Crystal structure of the sensor domain of Bacillus subtilis histidine kinase, KinD.
Protein Sci., 22, 2013
6B8Y
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BU of 6b8y by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH N-(3-fluoropyridin-4-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
分子名称: N-(3-fluoropyridin-4-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, TGF-beta receptor type-1
著者Sheriff, S.
登録日2017-10-09
公開日2018-02-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Heterobicyclic inhibitors of transforming growth factor beta receptor I (TGF beta RI).
Bioorg. Med. Chem., 26, 2018
5H54
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BU of 5h54 by Molmil
Mdm12 from K. lactis 1-239
分子名称: Mitochondrial distribution and morphology protein 12
著者Kawano, S, Quinbara, S, Endo, T.
登録日2016-11-04
公開日2017-11-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure-function insights into direct lipid transfer between membranes by Mmm1-Mdm12 of ERMES
J. Cell Biol., 217, 2018
5GZ8
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BU of 5gz8 by Molmil
Crystal structure of catalytic domain of Protein O-mannosyl Kinase in ligand-free form
分子名称: Protein O-mannose kinase
著者Nagae, M, Yamaguchi, Y.
登録日2016-09-27
公開日2017-03-29
最終更新日2017-12-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献3D structural analysis of protein O-mannosyl kinase, POMK, a causative gene product of dystroglycanopathy.
Genes Cells, 22, 2017
5H55
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BU of 5h55 by Molmil
Mdm12 from K. lactis
分子名称: Mitochondrial distribution and morphology protein 12
著者Kawano, S, Quinbara, S.
登録日2016-11-04
公開日2017-11-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structure-function insights into direct lipid transfer between membranes by Mmm1-Mdm12 of ERMES
J. Cell Biol., 217, 2018
5H5C
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BU of 5h5c by Molmil
Mdm12 from K. lactis (1-239), uniformly Lys dimethyl modified, crystallized in FOS-MEA-10
分子名称: Mitochondrial distribution and morphology protein 12
著者Kawano, S, Quinbara, S, Endo, T.
登録日2016-11-05
公開日2017-11-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献Structure-function insights into direct lipid transfer between membranes by Mmm1-Mdm12 of ERMES
J. Cell Biol., 217, 2018
5OR0
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BU of 5or0 by Molmil
NMR derived model of the 5'-splice site of SMN2 in complex with the 5'-end of U1 snRNA
分子名称: RNA (5'-R(P*AP*UP*AP*CP*(PSU)P*(PSU)P*AP*CP*CP*UP*G)-3'), RNA (5'-R(P*GP*GP*AP*GP*UP*AP*AP*GP*UP*CP*U)-3')
著者Campagne, S, Clery, A, Allain, F.H.
登録日2017-08-14
公開日2017-08-30
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Binding to SMN2 pre-mRNA-protein complex elicits specificity for small molecule splicing modifiers.
Nat Commun, 8, 2017
5E80
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BU of 5e80 by Molmil
The crystal structure of PDEd in complex with inhibitor-2a
分子名称: N-(3-chloro-2-methylphenyl)-4-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)butanamide, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
著者Ismail, S, Fansa, E.K, Murarka, S, Wittinghofer, A.
登録日2015-10-13
公開日2016-05-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Identification of pyrazolopyridazinones as PDE delta inhibitors.
Nat Commun, 7, 2016
5FD2
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BU of 5fd2 by Molmil
B-Raf wild-type kinase domain in complex with a purinylpyridinylamino-based inhibitor
分子名称: 6-[2-[[3-(dimethylsulfamoylamino)-2,6-bis(fluoranyl)phenyl]amino]pyridin-3-yl]-7~{H}-purine, Serine/threonine-protein kinase B-raf
著者Whittington, D.A, Epstein, L.F.
登録日2015-12-15
公開日2016-05-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Purinylpyridinylamino-based DFG-in/ alpha C-helix-out B-Raf inhibitors: Applying mutant versus wild-type B-Raf selectivity indices for compound profiling.
Bioorg.Med.Chem., 24, 2016
5GZ9
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BU of 5gz9 by Molmil
Crystal structure of catalytic domain of Protein O-mannosyl Kinase in complexes with AMP-PNP, Magnesium ions and glycopeptide
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Protein O-mannose kinase, ...
著者Nagae, M, Yamaguchi, Y.
登録日2016-09-27
公開日2017-03-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献3D structural analysis of protein O-mannosyl kinase, POMK, a causative gene product of dystroglycanopathy.
Genes Cells, 22, 2017
5H5A
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BU of 5h5a by Molmil
Mdm12 from K. lactis (1-239), Lys residues are uniformly dimethyl modified
分子名称: Mitochondrial distribution and morphology protein 12, POTASSIUM ION, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
著者Kawano, S, Quinbara, S, Endo, T.
登録日2016-11-04
公開日2017-11-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structure-function insights into direct lipid transfer between membranes by Mmm1-Mdm12 of ERMES
J. Cell Biol., 217, 2018
1H4U
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BU of 1h4u by Molmil
Domain G2 of mouse nidogen-1
分子名称: NIDOGEN-1
著者Hopf, M, Gohring, W, Ries, A, Timpl, R, Hohenester, E.
登録日2001-05-14
公開日2001-06-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure and Mutational Analysis of a Perlecan-Binding Fragment of Nidogen-1
Nat.Struct.Biol., 8, 2001
1DIE
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BU of 1die by Molmil
OBSERVATIONS OF REACTION INTERMEDIATES AND THE MECHANISM OF ALDOSE-KETOSE INTERCONVERSION BY D-XYLOSE ISOMERASE
分子名称: 1-DEOXYNOJIRIMYCIN, D-XYLOSE ISOMERASE, MAGNESIUM ION
著者Collyer, C.A, Viehmann, H, Goldberg, J.D, Blow, D.M.
登録日1992-06-04
公開日1993-07-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Observations of reaction intermediates and the mechanism of aldose-ketose interconversion by D-xylose isomerase.
Proc.Natl.Acad.Sci.USA, 87, 1990
8C5M
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BU of 8c5m by Molmil
SARS-CoV-2 nsp10-16 methyltransferase in complex with MTA
分子名称: 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Kremling, V, Sprenger, J, Oberthuer, D, Falke, S.
登録日2023-01-09
公開日2023-03-01
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of Tubercidin and Adenosine bound to the active site of the SARS-CoV-2 methyltransferase nsp10-16
To Be Published
6UUD
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BU of 6uud by Molmil
Crystal structure of antibody 5D5 in complex with PfCSP N-terminal peptide
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 5D5 Antibody Fab, ...
著者Thai, E, Scally, S.W, Julien, J.P.
登録日2019-10-30
公開日2020-07-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A high-affinity antibody against the CSP N-terminal domain lacks Plasmodium falciparum inhibitory activity.
J.Exp.Med., 217, 2020
7ZTB
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BU of 7ztb by Molmil
Structure of the Salmonella tRNA pyrophosphokinase CapRel
分子名称: CHLORIDE ION, RelA/SpoT family protein, SODIUM ION
著者Garcia-Pino, A.
登録日2022-05-09
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.312 Å)
主引用文献Direct activation of a bacterial innate immune system by a viral capsid protein.
Nature, 612, 2022
7ZMZ
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BU of 7zmz by Molmil
Engineered Interleukin 2 bound to CD25 receptor
分子名称: Interleukin-2, Interleukin-2 receptor subunit alpha
著者Fyfe, P.K, Moraga, I, Gaggero, S, Mitra, S.
登録日2022-04-20
公開日2022-12-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献IL-2 is inactivated by the acidic pH environment of tumors enabling engineering of a pH-selective mutein.
Sci Immunol, 7, 2022
5QTZ
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TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH 6-[1-(2,2-DIFLUOROETHYL)-4-(6-METHYLPYRIDIN-2-YL)-1H-IMIDAZOL-5-YL]IMIDAZO[1,2-A]PYRIDINE
分子名称: 6-[1-(2,2-difluoroethyl)-4-(6-methylpyridin-2-yl)-1H-imidazol-5-yl]imidazo[1,2-a]pyridine, GLYCEROL, TGF-beta receptor type-1
著者Sheriff, S.
登録日2019-11-19
公開日2020-02-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Discovery of BMS-986260, a Potent, Selective, and Orally Bioavailable TGF beta R1 Inhibitor as an Immuno-oncology Agent.
Acs Med.Chem.Lett., 11, 2020
5QU0
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TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH 6-[4-(3-CHLORO-4-FLUOROPHENYL)-1-(2-HYDROXYETHYL)-1H-IMIDAZOL-5-YL]IMIDAZO[1,2-B]PYRIDAZINE-3-CARBONITRILE
分子名称: 6-[4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carbonitrile, GLYCEROL, TGF-beta receptor type-1
著者Sheriff, S.
登録日2019-11-19
公開日2020-02-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Discovery of BMS-986260, a Potent, Selective, and Orally Bioavailable TGF beta R1 Inhibitor as an Immuno-oncology Agent.
Acs Med.Chem.Lett., 11, 2020

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