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7Q61
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Structure of TEV conjugated A2ML1 (A2ML1-TC)
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, Alpha-2-macroglobulin-like protein 1
著者Nielsen, N.S, Zarantonello, A, Andersen, G.R.
登録日2021-11-05
公開日2022-04-20
最終更新日2022-11-02
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献Cryo-EM structures of human A2ML1 elucidate the protease-inhibitory mechanism of the A2M family.
Nat Commun, 13, 2022
6V7F
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Human Arginase1 Complexed with Bicyclic Inhibitor Compound 13
分子名称: Arginase-1, MANGANESE (II) ION, {3-[(5R,7S,8S)-8-azaniumyl-8-carboxy-2-azaspiro[4.4]nonan-2-ium-7-yl]propyl}(trihydroxy)borate(1-)
著者Palte, R.L, Lesburg, C.A.
登録日2019-12-08
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Discovery and Optimization of Rationally Designed Bicyclic Inhibitors of Human Arginase to Enhance Cancer Immunotherapy.
Acs Med.Chem.Lett., 11, 2020
7PWO
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BU of 7pwo by Molmil
Cryo-EM structure of Giardia lamblia ribosome at 2.75 A resolution
分子名称: 40S ribosomal protein S21, 40S ribosomal protein S26, 40S ribosomal protein S30, ...
著者Hiregange, D.G, Rivalta, A, Bose, T, Breiner-Goldstein, E, Samiya, S, Cimicata, G, Kulakova, L, Zimmerman, E, Bashan, A, Herzberg, O, Yonath, A.
登録日2021-10-07
公開日2022-04-20
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.75 Å)
主引用文献Cryo-EM structure of the ancient eukaryotic ribosome from the human parasite Giardia lamblia.
Nucleic Acids Res., 50, 2022
8D13
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BU of 8d13 by Molmil
Helical ADP-F-actin
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Reynolds, M.J, Alushin, G.M.
登録日2022-05-26
公開日2022-09-07
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (2.43 Å)
主引用文献Bending forces and nucleotide state jointly regulate F-actin structure.
Nature, 611, 2022
4PY3
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BU of 4py3 by Molmil
Crystal Structure of the N-terminal FIC domain of Bep8 protein (VirB-translocated Bartonella effector protein) from Bartonella sp. 1-1C
分子名称: 1,2-ETHANEDIOL, Bartonella effector protein (Bep) substrate of VirB T4SS
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2014-03-25
公開日2015-06-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Evolutionary Diversification of Host-Targeted Bartonella Effectors Proteins Derived from a Conserved FicTA Toxin-Antitoxin Module.
Microorganisms, 9, 2021
7ND2
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BU of 7nd2 by Molmil
Cryo-EM structure of the human FERRY complex
分子名称: Glutamine amidotransferase-like class 1 domain-containing protein 1, Protein phosphatase 1 regulatory subunit 21, Quinone oxidoreductase-like protein 1
著者Quentin, D, Klink, B.U, Raunser, S.
登録日2021-01-29
公開日2022-03-02
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structural basis of mRNA binding by the human FERRY Rab5 effector complex.
Mol.Cell, 83, 2023
6AQ1
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BU of 6aq1 by Molmil
The crystal structure of human FABP3
分子名称: Fatty acid-binding protein, heart, PALMITIC ACID, ...
著者Hsu, H.C, Li, H.
登録日2017-08-18
公開日2018-06-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.40000093 Å)
主引用文献SAR studies on truxillic acid mono esters as a new class of antinociceptive agents targeting fatty acid binding proteins.
Eur J Med Chem, 154, 2018
5IRU
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BU of 5iru by Molmil
Crystal structure of avidin in complex with 1-biotinylpyrene
分子名称: 1-biotinylpyrene, 2-acetamido-2-deoxy-beta-D-glucopyranose, Avidin
著者Strzelczyk, P, Bujacz, G.
登録日2016-03-14
公開日2016-10-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Characterization of the Avidin Interactions with Fluorescent Pyrene-Conjugates: 1-Biotinylpyrene and 1-Desthiobiotinylpyrene.
Molecules, 21, 2016
5IS1
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BU of 5is1 by Molmil
Crystal structure of the extracellular domain of sensor histidine kinase YycG from Staphylococcus aureus at 2.0 Angstrom resolution
分子名称: Histidine kinase
著者Kim, T, Choi, J, Lee, S, Kim, K.K.
登録日2016-03-15
公開日2016-07-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Structural Studies on the Extracellular Domain of Sensor Histidine Kinase YycG from Staphylococcus aureus and Its Functional Implications
J.Mol.Biol., 428, 2016
8D17
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BU of 8d17 by Molmil
Straight ADP-F-actin 1
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Reynolds, M.J, Alushin, G.M.
登録日2022-05-26
公開日2022-09-07
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.69 Å)
主引用文献Bending forces and nucleotide state jointly regulate F-actin structure.
Nature, 611, 2022
8D16
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BU of 8d16 by Molmil
Bent ADP-Pi-F-actin
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Reynolds, M.J, Alushin, G.M.
登録日2022-05-26
公開日2022-09-07
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.71 Å)
主引用文献Bending forces and nucleotide state jointly regulate F-actin structure.
Nature, 611, 2022
8CZI
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BU of 8czi by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with extended HR2
分子名称: Scaffolded Spike protein S2' HR1, Spike protein S2' HR2
著者Yang, K, Brunger, A.T.
登録日2022-05-24
公開日2022-09-07
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.22 Å)
主引用文献Nanomolar inhibition of SARS-CoV-2 infection by an unmodified peptide targeting the prehairpin intermediate of the spike protein.
Proc.Natl.Acad.Sci.USA, 119, 2022
7Q52
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BU of 7q52 by Molmil
Crystal structure of S/T protein kinase PknG from Mycobacterium tuberculosis in complex with inhibitor L2W
分子名称: 2-azanyl-3-(4-fluorophenyl)carbonyl-indolizine-1-carboxamide, FE (III) ION, SODIUM ION, ...
著者Defelipe, L.A, Burastero, O, Bento, I, Garcia-Alai, M.M.
登録日2021-11-02
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Cosolvent Sites-Based Discovery of Mycobacterium Tuberculosis Protein Kinase G Inhibitors.
J.Med.Chem., 65, 2022
3IJO
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BU of 3ijo by Molmil
Crystal structure of the AMPA subunit GluR2 bound to the allosteric modulator, althiazide
分子名称: (3S)-6-chloro-3-[(prop-2-en-1-ylsulfanyl)methyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide, GLUTAMIC ACID, Glutamate receptor 2, ...
著者Ptak, C.P, Ahmed, A.H, Oswald, R.E.
登録日2009-08-04
公開日2009-09-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.003 Å)
主引用文献Probing the allosteric modulator binding site of GluR2 with thiazide derivatives
Biochemistry, 48, 2009
7NPA
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BU of 7npa by Molmil
Crystal structure of the Coenzyme F420-dependent sulfite reductase from Methanothermococcus thermolithotrophicus at 1.55-A resolution
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Jespersen, M, Wagner, T.
登録日2021-02-26
公開日2022-03-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structures of the sulfite detoxifying F 420 -dependent enzyme from Methanococcales.
Nat.Chem.Biol., 2023
6B7D
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BU of 6b7d by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine
分子名称: 3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine, DIMETHYL SULFOXIDE, POTASSIUM ION, ...
著者Proudfoot, A.W, Bussiere, D, Lingel, A.
登録日2017-10-03
公開日2017-12-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization.
J. Am. Chem. Soc., 139, 2017
7PG5
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BU of 7pg5 by Molmil
Crystal Structure of PI3Kalpha
分子名称: GLYCEROL, PHOSPHATE ION, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
著者Gong, G, Pinotsis, N, Williams, R.L, Vanhaesebroeck, B.
登録日2021-08-13
公開日2022-08-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.20029068 Å)
主引用文献A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration.
Nature, 618, 2023
7NP8
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BU of 7np8 by Molmil
Crystal structure of the Coenzyme F420-dependent sulfite reductase from Methanocaldococcus jannaschii at 2.3-A resolution
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Jespersen, M, Wagner, T.
登録日2021-02-26
公開日2022-03-23
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of the sulfite detoxifying F 420 -dependent enzyme from Methanococcales.
Nat.Chem.Biol., 2023
6B7C
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BU of 6b7c by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with N-((1,3-dimethyl-1H-pyrazol-5-yl)methyl)-5-methyl-1H-imidazo[4,5-b]pyridin-2-amine
分子名称: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-5-methyl-3H-imidazo[4,5-b]pyridin-2-amine, ...
著者Proudfoot, A.W, Bussiere, D, Lingel, A.
登録日2017-10-03
公開日2017-12-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.564 Å)
主引用文献High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization.
J. Am. Chem. Soc., 139, 2017
7PG6
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BU of 7pg6 by Molmil
Crystal Structure of PI3Kalpha in complex with the inhibitor NVP-BYL719
分子名称: (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ...
著者Gong, G, Pinotsis, N, Williams, R.L, Vanhaesebroeck, B.
登録日2021-08-13
公開日2022-08-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.49943733 Å)
主引用文献A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration.
Nature, 618, 2023
1F44
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CRYSTAL STRUCTURE OF TRIMERIC CRE RECOMBINASE-LOX COMPLEX
分子名称: CRE RECOMBINASE, DNA (5'- D(*TP*AP*TP*AP*AP*CP*TP*TP*CP*GP*TP*AP*TP*AP*GP*C)-3'), DNA (5'-D(*AP*TP*AP*TP*GP*CP*TP*AP*TP*AP*CP*GP*AP*AP*GP*TP*TP*AP*T)-3')
著者Baldwin, E.P, Woods, K.C.
登録日2000-06-07
公開日2001-10-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Quasi-equivalence in site-specific recombinase structure and function: crystal structure and activity of trimeric Cre recombinase bound to a three-way Lox DNA junction.
J.Mol.Biol., 313, 2001
6B3S
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BU of 6b3s by Molmil
Crystal structure of the Fab fragment of necitumumab (Fab11F8) in complex with domain III from a cetuximab resistant variant of EGFR (sEGFRd3-S468R)
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, Epidermal growth factor receptor, ...
著者Ferguson, K.M, Bagchi, A.
登録日2017-09-23
公開日2017-12-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Molecular Basis for Necitumumab Inhibition of EGFR Variants Associated with Acquired Cetuximab Resistance.
Mol. Cancer Ther., 17, 2018
5XYW
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Crystal structure of drosophila simulans Rhino chromoshadow domain in complex with N-terminal domain
分子名称: GD21652, Rhino
著者Yu, B.W, Huang, Y.
登録日2017-07-10
公開日2018-06-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.705 Å)
主引用文献Structural insights into Rhino-Deadlock complex for germline piRNA cluster specification
EMBO Rep., 19, 2018
6B7A
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BU of 6b7a by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-methyl-1H-benzo[d]imidazol-4-ol
分子名称: 2-methyl-1H-benzimidazol-7-ol, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Proudfoot, A.W, Bussiere, D, Lingel, A.
登録日2017-10-03
公開日2017-12-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.991 Å)
主引用文献High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization.
J. Am. Chem. Soc., 139, 2017
6VHA
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BU of 6vha by Molmil
Singlet Tau Fibril from Corticobasal Degeneration Human Brain Tissue
分子名称: Microtubule-associated protein tau
著者Arakhamia, T, Lee, C.E, Carlomagno, Y, Duong, D.M, Kundinger, S.R, Wang, K, Williams, D, DeTure, M, Dickson, D.W, Cook, C.N, Seyfried, N.T, Petrucelli, L, Fitzpatrick, A.W.P.
登録日2020-01-09
公開日2020-03-04
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Posttranslational Modifications Mediate the Structural Diversity of Tauopathy Strains.
Cell, 180, 2020

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