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7Y4A
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Crystal structure of human ELMO1 RBD-RhoG complex
分子名称: Engulfment and cell motility protein 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Tsuda, K, Kukimoto-Niino, M, Shirouzu, M.
登録日2022-06-14
公開日2023-03-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Targeting Ras-binding domain of ELMO1 by computational nanobody design.
Commun Biol, 6, 2023
6QMD
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Small molecule inhibitor of the KEAP1-NRF2 protein-protein interaction
分子名称: (3~{R})-3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1
著者Davies, T.G.
登録日2019-02-07
公開日2019-04-24
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structure-Activity and Structure-Conformation Relationships of Aryl Propionic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1/Nuclear Factor Erythroid 2-Related Factor 2 (KEAP1/NRF2) Protein-Protein Interaction.
J.Med.Chem., 62, 2019
8EPM
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Human R-type voltage-gated calcium channel Cav2.3 CH2II-deleted mutant at 3.1 Angstrom resolution
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, 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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gao, S, Yao, X, Yan, N.
登録日2022-10-06
公開日2022-12-14
最終更新日2023-07-12
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structures of the R-type human Ca v 2.3 channel reveal conformational crosstalk of the intracellular segments.
Nat Commun, 13, 2022
8EG3
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Structure of human placental steroid (estrone/DHEA) sulfatase at 2.0 angstrom resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, PHOSPHATE ION, ...
著者Ghosh, D.
登録日2022-09-10
公開日2022-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structure of human placental steroid sulfatase at 2.0 angstrom resolution: Catalysis, quaternary association, and a secondary ligand site.
J.Steroid Biochem.Mol.Biol., 227, 2022
7PEE
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BU of 7pee by Molmil
Crystal structure of extracellular part of human Trop2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, ...
著者Pavsic, M.
登録日2021-08-09
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Trop2 Forms a Stable Dimer with Significant Structural Differences within the Membrane-Distal Region as Compared to EpCAM.
Int J Mol Sci, 22, 2021
8F5P
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Structure of Leishmania tarentolae IFT-A (state 2)
分子名称: Intraflagellar transport protein 122 homolog, Intraflagellar transport protein 122B, putative, ...
著者Zhou, H, Brown, A.
登録日2022-11-14
公開日2022-12-21
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Mechanism of IFT-A polymerization into trains for ciliary transport.
Cell, 185, 2022
7V3U
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Cryo-EM structure of MCM double hexamer with structured Mcm4-NSD
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA replication licensing factor MCM2, DNA replication licensing factor MCM3, ...
著者Cheng, J, Li, N, Huo, Y, Dang, S, Tye, B, Gao, N, Zhai, Y.
登録日2021-08-11
公開日2022-04-13
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural Insight into the MCM double hexamer activation by Dbf4-Cdc7 kinase.
Nat Commun, 13, 2022
8F5O
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Structure of Leishmania tarentolae IFT-A (state 1)
分子名称: Intraflagellar transport protein 122 homolog, Intraflagellar transport protein 122B, putative, ...
著者Zhou, H, Brown, A.
登録日2022-11-14
公開日2022-12-21
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Mechanism of IFT-A polymerization into trains for ciliary transport.
Cell, 185, 2022
7V3V
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Cryo-EM structure of MCM double hexamer bound with DDK in State I
分子名称: ADENOSINE-5'-DIPHOSPHATE, Cell division control protein 7, DDK kinase regulatory subunit DBF4, ...
著者Cheng, J, Li, N, Huo, Y, Dang, S, Tye, B, Gao, N, Zhai, Y.
登録日2021-08-11
公開日2022-04-13
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural Insight into the MCM double hexamer activation by Dbf4-Cdc7 kinase.
Nat Commun, 13, 2022
8F8Y
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PHF2 (PHD+JMJ) in Complex with VRK1 N-Terminal Peptide
分子名称: 1,2-ETHANEDIOL, Lysine-specific demethylase PHF2, SULFATE ION, ...
著者Horton, J.R, Cheng, X.
登録日2022-11-22
公開日2023-01-18
最終更新日2023-02-08
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献A complete methyl-lysine binding aromatic cage constructed by two domains of PHF2.
J.Biol.Chem., 299, 2022
8P8G
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BU of 8p8g by Molmil
Nitrogenase MoFe protein from A. vinelandii beta double mutant D353G/D357G
分子名称: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ...
著者Maslac, N, Wagner, T.
登録日2023-06-01
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The Mononuclear Metal-Binding Site of Mo-Nitrogenase Is Not Required for Activity.
Jacs Au, 3, 2023
8PB9
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BU of 8pb9 by Molmil
Cryo-EM structure of the c-di-GMP-bound FleQ-FleN master regulator complex from Pseudomonas aeruginosa
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), Antiactivator FleN, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
著者Torres-Sanchez, L.T, Krasteva, P.V.
登録日2023-06-08
公開日2023-12-13
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structures of the P. aeruginosa FleQ-FleN master regulators reveal large-scale conformational switching in motility and biofilm control.
Proc.Natl.Acad.Sci.USA, 120, 2023
6YQ2
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BU of 6yq2 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-129
分子名称: 14-3-3 protein sigma, 4-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]sulfonylbenzaldehyde, p65pS45
著者Wolter, M, Ottmann, C.
登録日2020-04-16
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
6QME
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BU of 6qme by Molmil
Small molecule inhibitor of the KEAP1-NRF2 protein-protein interaction
分子名称: (3~{S})-3-(4-chloranyl-3-methyl-phenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid, Kelch-like ECH-associated protein 1, SULFATE ION
著者Davies, T.G.
登録日2019-02-07
公開日2019-04-24
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structure-Activity and Structure-Conformation Relationships of Aryl Propionic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1/Nuclear Factor Erythroid 2-Related Factor 2 (KEAP1/NRF2) Protein-Protein Interaction.
J.Med.Chem., 62, 2019
6QMK
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Small molecule inhibitor of the KEAP1-NRF2 protein-protein interaction
分子名称: (3~{S})-3-[3-[[1,1-bis(oxidanylidene)-3,4-dihydro-5,1$l^{6},2-benzoxathiazepin-2-yl]methyl]-4-methyl-phenyl]-3-(7-methoxy-1-methyl-benzotriazol-5-yl)propanoic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1
著者Davies, T.G.
登録日2019-02-07
公開日2019-04-24
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structure-Activity and Structure-Conformation Relationships of Aryl Propionic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1/Nuclear Factor Erythroid 2-Related Factor 2 (KEAP1/NRF2) Protein-Protein Interaction.
J.Med.Chem., 62, 2019
7R7M
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BU of 7r7m by Molmil
Crystal structure of Triosephosphate isomerase from Candidate division Katanobacteria (WWE3) bacterium
分子名称: PHOSPHATE ION, Triosephosphate isomerase
著者Vickers, C.J, Patrick, W.M, Fraga, D.
登録日2021-06-24
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of WweTPI - Candidate division WWE3
To Be Published
7UQ1
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BU of 7uq1 by Molmil
The X-ray crystal structure of the N-terminal domain of Staphylococcus aureus Fatty Acid Kinase A (FakA, residues 1-208) in complex with AMP and a single Mg ion at the dinuclear binding site
分子名称: ADENOSINE MONOPHOSPHATE, Fatty Acid Kinase A, GLYCEROL, ...
著者Cuypers, M.G, Subramanian, C, Seetharaman, J, Rock, C.O, White, S.W.
登録日2022-04-18
公開日2022-05-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Domain architecture and catalysis of the Staphylococcus aureus fatty acid kinase.
J.Biol.Chem., 298, 2022
7UV5
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BU of 7uv5 by Molmil
The crystal structure of Papain-Like Protease of SARS CoV-2, C111S/D286N mutant, in complex with a Lys48-linked di-ubiquitin
分子名称: 1,2-ETHANEDIOL, Papain-like protease nsp3, Ubiquitin, ...
著者Osipiuk, J, Tesar, C, Endres, M, Lanham, B.T, Wydorski, P, Fushman, D, Joachimiak, L, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2022-04-29
公開日2022-05-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Dual domain recognition determines SARS-CoV-2 PLpro selectivity for human ISG15 and K48-linked di-ubiquitin.
Nat Commun, 14, 2023
5OMN
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BU of 5omn by Molmil
GII.10 Vietnam 026 protruding domain in complex with Nanobody Nano-27
分子名称: Capsid protein, Nanobody (VHH) Nano-27
著者Koromyslova, A.D, Hansman, G.S.
登録日2017-08-01
公開日2017-10-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.682 Å)
主引用文献Nanobodies targeting norovirus capsid reveal functional epitopes and potential mechanisms of neutralization.
PLoS Pathog., 13, 2017
8DSZ
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BU of 8dsz by Molmil
PPARg bound to partial agonist H3B-487
分子名称: (2R)-2-{5-[(5-{[(1R)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid, Peroxisome proliferator-activated receptor gamma
著者Larsen, N.A.
登録日2022-07-24
公開日2022-09-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists.
J.Biol.Chem., 298, 2022
6QRN
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BU of 6qrn by Molmil
Galectin-10 complexed with ribose
分子名称: Galectin-10, beta-D-ribopyranose
著者Verstraete, K, Verschueren, K.H.G.
登録日2019-02-19
公開日2019-06-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Protein crystallization promotes type 2 immunity and is reversible by antibody treatment.
Science, 364, 2019
2KUG
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BU of 2kug by Molmil
Halothane binds to druggable sites in calcium-calmodulin: Solution Structure of halothane-CaM N-terminal domain
分子名称: 2-BROMO-2-CHLORO-1,1,1-TRIFLUOROETHANE, CALCIUM ION, Calmodulin-1
著者Juranic, N, Macura, S, Simeonov, M.V, Jones, K.A, Penheiter, A.R, Hock, T.J, Streiff, J.H.
登録日2010-02-17
公開日2010-03-09
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Halothane binds to druggable sites in the [Ca2+]4-calmodulin (CaM) complex, but does not inhibit [Ca2+]4-CaM activation of kinase.
J. Serb. Chem. Soc., 78, 2013
7R0J
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BU of 7r0j by Molmil
Structure of the V2 receptor Cter-arrestin2-ScFv30 complex
分子名称: Arrestin2, ScFv30, V2R Cter
著者Bous, J, Fouillen, A, Trapani, S, Granier, S, Mouillac, B, Bron, P.
登録日2022-02-02
公開日2022-09-14
実験手法ELECTRON MICROSCOPY (4.23 Å)
主引用文献Structure of the vasopressin hormone-V2 receptor-beta-arrestin1 ternary complex.
Sci Adv, 8, 2022
7R0C
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Structure of the AVP-V2R-arrestin2-ScFv30 complex
分子名称: AVP, Arrestin2, ScFv30, ...
著者Bous, J, Fouillen, A, Trapani, S, Granier, S, Mouillac, B, Bron, P.
登録日2022-02-01
公開日2022-09-14
実験手法ELECTRON MICROSCOPY (4.73 Å)
主引用文献Structure of the vasopressin hormone-V2 receptor-beta-arrestin1 ternary complex.
Sci Adv, 8, 2022
6QV5
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Crystal structure of the CHAD domain from the plant Ricinus communis
分子名称: 1,2-ETHANEDIOL, CHAD domain, ZINC ION
著者Lorenzo-Orts, L, Hothorn, M.
登録日2019-03-01
公開日2019-05-29
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular characterization of CHAD domains as inorganic polyphosphate-binding modules.
Life Sci Alliance, 2, 2019

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