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5NJS
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Mix-and-diffuse serial synchrotron crystallography: structure of N,N',N''-Triacetylchitotriose bound to Lysozyme with 50s time-delay, phased with 1HEW
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ...
著者Oberthuer, D, Meents, A, Beyerlein, K.R, Chapman, H.N, Lieseke, J.
登録日2017-03-29
公開日2017-10-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mix-and-diffuse serial synchrotron crystallography.
IUCrJ, 4, 2017
5NZZ
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BU of 5nzz by Molmil
Crystal structure of phosphorylated p38aMAPK in complex with TAB1
分子名称: MAGNESIUM ION, Mitogen-activated protein kinase 14, NICKEL (II) ION, ...
著者Nichols, C.E, De Nicola, G.F.
登録日2017-05-15
公開日2018-05-30
最終更新日2018-09-19
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The TAB1-p38 alpha complex aggravates myocardial injury and can be targeted by small molecules.
JCI Insight, 3, 2018
5NJR
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BU of 5njr by Molmil
Mix-and-diffuse serial synchrotron crystallography: structure of N,N',N''-Triacetylchitotriose bound to Lysozyme with 50s time-delay, phased with 4ET8
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ...
著者Oberthuer, D, Meents, A, Beyerlein, K.R, Chapman, H.N, Lieseke, J.
登録日2017-03-29
公開日2017-10-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mix-and-diffuse serial synchrotron crystallography.
IUCrJ, 4, 2017
7HBI
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BU of 7hbi by Molmil
SCAPHARCA DIMERIC HEMOGLOBIN, MUTANT T72V, CO-LIGANDED FORM
分子名称: CARBON MONOXIDE, HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
著者Royer Junior, W.E.
登録日1998-06-25
公開日1998-11-11
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Mutational destabilization of the critical interface water cluster in Scapharca dimeric hemoglobin: structural basis for altered allosteric activity.
J.Mol.Biol., 284, 1998
7ICD
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BU of 7icd by Molmil
REGULATION OF AN ENZYME BY PHOSPHORYLATION AT THE ACTIVE SITE
分子名称: ISOCITRATE DEHYDROGENASE
著者Hurley, J.H, Dean, A.M, Sohl, J.L, Koshlandjunior, D.E, Stroud, R.M.
登録日1990-05-30
公開日1991-10-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Regulation of an enzyme by phosphorylation at the active site.
Science, 249, 1990
7L0Z
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BU of 7l0z by Molmil
Spinach variant bound to DFHBI-1T
分子名称: (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2-methyl-3-(2,2,2-trifluoroethyl)-3,5-dihydro-4H-imidazol-4-one, MAGNESIUM ION, PHOSPHATE ION, ...
著者Truong, L, Trachman, R.J, Ferre-D'Amare, A.R.
登録日2020-12-13
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Fluorogenic aptamers resolve the flexibility of RNA junctions using orientation-dependent FRET.
Rna, 27, 2021
7JTZ
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Yeast Glo3 GAP domain
分子名称: ADP-ribosylation factor GTPase-activating protein GLO3, GLYCEROL, ZINC ION
著者Xie, B, Jackson, L.P.
登録日2020-08-18
公開日2021-03-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献The Glo3 GAP crystal structure supports the molecular niche model for ArfGAPs in COPI coats.
Adv Biol Regul, 79, 2021
7L7F
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Cryo-EM structure of human ACE2 receptor bound to protein encoded by vaccine candidate BNT162b1
分子名称: Angiotensin-converting enzyme 2, Spike glycoprotein, Envelope glycoprotein fusion
著者Lees, J.A, Han, S.
登録日2020-12-28
公開日2021-02-24
最終更新日2021-04-21
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献BNT162b vaccines protect rhesus macaques from SARS-CoV-2.
Nature, 592, 2021
7L7K
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Cryo-EM structure of protein encoded by vaccine candidate BNT162b2
分子名称: Spike glycoprotein
著者Lees, J.A, Han, S.
登録日2020-12-28
公開日2021-02-24
最終更新日2021-04-21
実験手法ELECTRON MICROSCOPY (3.29 Å)
主引用文献BNT162b vaccines protect rhesus macaques from SARS-CoV-2.
Nature, 592, 2021
7JV9
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BU of 7jv9 by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with compound 12
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5'-nucleotidase, 6-chloro-N-[(2-chlorophenyl)methyl]-1-[5-O-(phosphonomethyl)-beta-D-ribofuranosyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, ...
著者Gibbons, P, Du, X.
登録日2020-08-20
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Orally Bioavailable Small-Molecule CD73 Inhibitor (OP-5244) Reverses Immunosuppression through Blockade of Adenosine Production.
J.Med.Chem., 63, 2020
7JV8
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BU of 7jv8 by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with compound 35
分子名称: 5'-nucleotidase, 6-chloro-N-cyclopentyl-1-{5-O-[(2R)-1-hydroxy-3-methoxy-2-phosphonopropan-2-yl]-beta-D-ribofuranosyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, ...
著者Gibbons, P, Du, X.
登録日2020-08-20
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Orally Bioavailable Small-Molecule CD73 Inhibitor (OP-5244) Reverses Immunosuppression through Blockade of Adenosine Production.
J.Med.Chem., 63, 2020
8JUN
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BU of 8jun by Molmil
Cryo-EM structure of SIDT1 E555Q mutant
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SID1 transmembrane family member 1, ZINC ION
著者Sun, C.R, Xu, D, Li, Q, Zhou, C.Z, Chen, Y.
登録日2023-06-26
公開日2023-11-15
最終更新日2024-01-24
実験手法ELECTRON MICROSCOPY (2.38 Å)
主引用文献Human SIDT1 mediates dsRNA uptake via its phospholipase activity.
Cell Res., 34, 2024
6JUN
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BU of 6jun by Molmil
MsDpo4-DNA complex 3
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(P*TP*AP*GP*GP*AP*CP*CP*C)-3'), DNA polymerase IV, ...
著者Nair, D.T, Johnson, M.K.
登録日2019-04-15
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献A polar filter in DNA polymerases prevents ribonucleotide incorporation.
Nucleic Acids Res., 47, 2019
5JUN
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BU of 5jun by Molmil
PB2 bound to an azaindole inhibitor
分子名称: (3~{R})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclobutyl)propanoic acid, Polymerase basic protein 2
著者Jacobs, M.D.
登録日2016-05-10
公開日2017-05-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Discovery of Novel, Orally Bioavailable beta-Amino Acid Azaindole Inhibitors of Influenza PB2.
ACS Med Chem Lett, 8, 2017
4JUN
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BU of 4jun by Molmil
Crystal structure of H5N1 influenza virus hemagglutinin, clade 5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者DuBois, R.M, Zaraket, H, Reddivari, M, Coop, T, Heath, R.J, White, S.W, Russell, C.J.
登録日2013-03-25
公開日2014-05-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3398 Å)
主引用文献To be published
To be Published
2JUN
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BU of 2jun by Molmil
Structure of the MID1 tandem B-boxes reveals an interaction reminiscent of intermolecular RING heterodimers
分子名称: Midline-1, ZINC ION
著者Tao, H, Singireddy, S, Jakkidi, M, Simmons, B.N, Short, K.M, Cox, T.C, Massiah, M.A.
登録日2007-08-31
公開日2008-03-04
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structure of the MID1 Tandem B-Boxes Reveals an Interaction Reminiscent of Intermolecular Ring Heterodimers
Biochemistry, 47, 2008
5JUR
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PB2 bound to an azaindole inhibitor
分子名称: (3~{R})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-4,4-dimethyl-pentanoic acid, Polymerase basic protein 2
著者Jacobs, M.D.
登録日2016-05-10
公開日2017-03-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Discovery of Novel, Orally Bioavailable beta-Amino Acid Azaindole Inhibitors of Influenza PB2.
ACS Med Chem Lett, 8, 2017
3JUN
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BU of 3jun by Molmil
Crystal Structure of PhzA/B from Burkholderia cepacia R18194 in simultaneous complex with racemic 5-bromo-2-(piperidin-3-ylamino)benzoic acid
分子名称: 5-bromo-2-[(3R)-piperidin-3-ylamino]benzoic acid, 5-bromo-2-[(3S)-piperidin-3-ylamino]benzoate, Phenazine biosynthesis protein A/B
著者Mentel, M, Breinbauer, R, Blankenfeldt, W.
登録日2009-09-15
公開日2009-09-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Active Site of an Enzyme Can Host Both Enantiomers of a Racemic Ligand Simultaneously
Angew.Chem.Int.Ed.Engl., 48, 2009
7JUN
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BU of 7jun by Molmil
Joint neutron/X-ray structure of SARS-CoV-2 3CL Mpro at room temperature
分子名称: 3C-like proteinase
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2020-08-20
公開日2020-09-02
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (2.3 Å), X-RAY DIFFRACTION
主引用文献Unusual zwitterionic catalytic site of SARS-CoV-2 main protease revealed by neutron crystallography.
J.Biol.Chem., 295, 2020
2J9F
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BU of 2j9f by Molmil
Human branched-chain alpha-ketoacid dehydrogenase-decarboxylase E1b
分子名称: 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, C2-1-HYDROXY-3-METHYL-PROPYL-THIAMIN DIPHOSPHATE, ...
著者Jun, L, Machius, M, Chuang, J.L, Wynn, R.M, Chuang, D.T.
登録日2006-11-07
公開日2007-02-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献The Two Active Sites in Human Branched-Chain Alpha- Keto Acid Dehydrogenase Operate Independently without an Obligatory Alternating-Site Mechanism.
J.Biol.Chem., 282, 2007
6F5E
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BU of 6f5e by Molmil
Crystal structure of DARPin-DARPin rigid fusion, variant DD_D12_10_47 in complex JNK1a1 and JIP1 peptide
分子名称: C-Jun-amino-terminal kinase-interacting protein 1, DD_D12_10_47, Mitogen-activated protein kinase 8
著者Wu, Y, Mittl, P.R, Honegger, A, Batyuk, A, Plueckthun, A.
登録日2017-12-01
公開日2017-12-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of DARPin-DARPin rigid fusion, variant DD_D12_10_47 in complex JNK1a1 and JIP1 peptide
To be published
7D9M
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BU of 7d9m by Molmil
grass carp interleukin-2
分子名称: Interleukin
著者Junya, w, Jun, z.
登録日2020-10-13
公開日2020-10-28
最終更新日2020-11-11
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Structural insights into the co-evolution of IL-2 and its private receptor in fish.
Dev.Comp.Immunol., 115, 2020
6EJN
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BU of 6ejn by Molmil
The KLC2 TPR domain bound to the JIP3 leucine zipper domain
分子名称: C-Jun-amino-terminal kinase-interacting protein 3, Kinesin light chain 2
著者Cockburn, J, Hesketh, S.J, Way, M.
登録日2017-09-22
公開日2018-09-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Insights into Kinesin-1 Activation from the Crystal Structure of KLC2 Bound to JIP3.
Structure, 26, 2018
8PR3
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Cytoplasmic dynein-1 heavy chain bound to JIP3-RH1
分子名称: C-Jun-amino-terminal kinase-interacting protein 3, Cytoplasmic dynein 1 heavy chain 1, Cytoplasmic dynein 1 intermediate chain 2, ...
著者Singh, K, Lau, C.K, Manigrasso, G, Gassmann, R, Carter, A.P.
登録日2023-07-12
公開日2024-03-27
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Molecular mechanism of dynein-dynactin complex assembly by LIS1.
Science, 383, 2024
8PR2
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Cytoplasmic dynein-1 heavy chain bound to JIP3-LZI
分子名称: C-Jun-amino-terminal kinase-interacting protein 3, Cytoplasmic dynein 1 heavy chain 1, Cytoplasmic dynein 1 intermediate chain 2, ...
著者Singh, K, Lau, C.K, Manigrasso, G, Gassmann, R, Carter, A.P.
登録日2023-07-12
公開日2024-03-27
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Molecular mechanism of dynein-dynactin complex assembly by LIS1.
Science, 383, 2024

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