7Y4A
 
 | | Crystal structure of human ELMO1 RBD-RhoG complex | | Descriptor: | Engulfment and cell motility protein 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Tsuda, K, Kukimoto-Niino, M, Shirouzu, M. | | Deposit date: | 2022-06-14 | | Release date: | 2023-03-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Targeting Ras-binding domain of ELMO1 by computational nanobody design.
Commun Biol, 6, 2023
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8EPM
 | | Human R-type voltage-gated calcium channel Cav2.3 CH2II-deleted mutant at 3.1 Angstrom resolution | | Descriptor: | 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, ... | | Authors: | Gao, S, Yao, X, Yan, N. | | Deposit date: | 2022-10-06 | | Release date: | 2022-12-14 | | Last modified: | 2023-07-12 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structures of the R-type human Ca v 2.3 channel reveal conformational crosstalk of the intracellular segments.
Nat Commun, 13, 2022
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6QMD
 | | Small molecule inhibitor of the KEAP1-NRF2 protein-protein interaction | | Descriptor: | (3~{R})-3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1 | | Authors: | Davies, T.G. | | Deposit date: | 2019-02-07 | | Release date: | 2019-04-24 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | 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
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8EG3
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7PEE
 | | Crystal structure of extracellular part of human Trop2 | | Descriptor: | 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, ... | | Authors: | Pavsic, M. | | Deposit date: | 2021-08-09 | | Release date: | 2021-10-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Trop2 Forms a Stable Dimer with Significant Structural Differences within the Membrane-Distal Region as Compared to EpCAM.
Int J Mol Sci, 22, 2021
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8F5P
 | | Structure of Leishmania tarentolae IFT-A (state 2) | | Descriptor: | Intraflagellar transport protein 122 homolog, Intraflagellar transport protein 122B, putative, ... | | Authors: | Zhou, H, Brown, A. | | Deposit date: | 2022-11-14 | | Release date: | 2022-12-21 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Mechanism of IFT-A polymerization into trains for ciliary transport.
Cell, 185, 2022
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7V3U
 | | Cryo-EM structure of MCM double hexamer with structured Mcm4-NSD | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA replication licensing factor MCM2, DNA replication licensing factor MCM3, ... | | Authors: | Cheng, J, Li, N, Huo, Y, Dang, S, Tye, B, Gao, N, Zhai, Y. | | Deposit date: | 2021-08-11 | | Release date: | 2022-04-13 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural Insight into the MCM double hexamer activation by Dbf4-Cdc7 kinase.
Nat Commun, 13, 2022
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8F5O
 | | Structure of Leishmania tarentolae IFT-A (state 1) | | Descriptor: | Intraflagellar transport protein 122 homolog, Intraflagellar transport protein 122B, putative, ... | | Authors: | Zhou, H, Brown, A. | | Deposit date: | 2022-11-14 | | Release date: | 2022-12-21 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Mechanism of IFT-A polymerization into trains for ciliary transport.
Cell, 185, 2022
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7V3V
 | | Cryo-EM structure of MCM double hexamer bound with DDK in State I | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cell division control protein 7, DDK kinase regulatory subunit DBF4, ... | | Authors: | Cheng, J, Li, N, Huo, Y, Dang, S, Tye, B, Gao, N, Zhai, Y. | | Deposit date: | 2021-08-11 | | Release date: | 2022-04-13 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural Insight into the MCM double hexamer activation by Dbf4-Cdc7 kinase.
Nat Commun, 13, 2022
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8F8Y
 | | PHF2 (PHD+JMJ) in Complex with VRK1 N-Terminal Peptide | | Descriptor: | 1,2-ETHANEDIOL, Lysine-specific demethylase PHF2, SULFATE ION, ... | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2022-11-22 | | Release date: | 2023-01-18 | | Last modified: | 2023-02-08 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | A complete methyl-lysine binding aromatic cage constructed by two domains of PHF2.
J.Biol.Chem., 299, 2022
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8P8G
 | | Nitrogenase MoFe protein from A. vinelandii beta double mutant D353G/D357G | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ... | | Authors: | Maslac, N, Wagner, T. | | Deposit date: | 2023-06-01 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | The Mononuclear Metal-Binding Site of Mo-Nitrogenase Is Not Required for Activity.
Jacs Au, 3, 2023
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6YQ2
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8PB9
 | | Cryo-EM structure of the c-di-GMP-bound FleQ-FleN master regulator complex from Pseudomonas aeruginosa | | Descriptor: | 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, ... | | Authors: | Torres-Sanchez, L.T, Krasteva, P.V. | | Deposit date: | 2023-06-08 | | Release date: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | 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
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6QME
 | | Small molecule inhibitor of the KEAP1-NRF2 protein-protein interaction | | Descriptor: | (3~{S})-3-(4-chloranyl-3-methyl-phenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid, Kelch-like ECH-associated protein 1, SULFATE ION | | Authors: | Davies, T.G. | | Deposit date: | 2019-02-07 | | Release date: | 2019-04-24 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | 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
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6QMK
 | | Small molecule inhibitor of the KEAP1-NRF2 protein-protein interaction | | Descriptor: | (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 | | Authors: | Davies, T.G. | | Deposit date: | 2019-02-07 | | Release date: | 2019-04-24 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | 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
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7R7M
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7UQ1
 | | 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 | | Descriptor: | ADENOSINE MONOPHOSPHATE, Fatty Acid Kinase A, GLYCEROL, ... | | Authors: | Cuypers, M.G, Subramanian, C, Seetharaman, J, Rock, C.O, White, S.W. | | Deposit date: | 2022-04-18 | | Release date: | 2022-05-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Domain architecture and catalysis of the Staphylococcus aureus fatty acid kinase.
J.Biol.Chem., 298, 2022
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7UV5
 | | The crystal structure of Papain-Like Protease of SARS CoV-2, C111S/D286N mutant, in complex with a Lys48-linked di-ubiquitin | | Descriptor: | 1,2-ETHANEDIOL, Papain-like protease nsp3, Ubiquitin, ... | | Authors: | 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) | | Deposit date: | 2022-04-29 | | Release date: | 2022-05-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Dual domain recognition determines SARS-CoV-2 PLpro selectivity for human ISG15 and K48-linked di-ubiquitin.
Nat Commun, 14, 2023
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5OMN
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6QRN
 | | Galectin-10 complexed with ribose | | Descriptor: | Galectin-10, beta-D-ribopyranose | | Authors: | Verstraete, K, Verschueren, K.H.G. | | Deposit date: | 2019-02-19 | | Release date: | 2019-06-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Protein crystallization promotes type 2 immunity and is reversible by antibody treatment.
Science, 364, 2019
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8DSZ
 | | PPARg bound to partial agonist H3B-487 | | Descriptor: | (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 | | Authors: | Larsen, N.A. | | Deposit date: | 2022-07-24 | | Release date: | 2022-09-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists.
J.Biol.Chem., 298, 2022
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2KUG
 | | Halothane binds to druggable sites in calcium-calmodulin: Solution Structure of halothane-CaM N-terminal domain | | Descriptor: | 2-BROMO-2-CHLORO-1,1,1-TRIFLUOROETHANE, CALCIUM ION, Calmodulin-1 | | Authors: | Juranic, N, Macura, S, Simeonov, M.V, Jones, K.A, Penheiter, A.R, Hock, T.J, Streiff, J.H. | | Deposit date: | 2010-02-17 | | Release date: | 2010-03-09 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | 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
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7R0J
 | | Structure of the V2 receptor Cter-arrestin2-ScFv30 complex | | Descriptor: | Arrestin2, ScFv30, V2R Cter | | Authors: | Bous, J, Fouillen, A, Trapani, S, Granier, S, Mouillac, B, Bron, P. | | Deposit date: | 2022-02-02 | | Release date: | 2022-09-14 | | Method: | ELECTRON MICROSCOPY (4.23 Å) | | Cite: | Structure of the vasopressin hormone-V2 receptor-beta-arrestin1 ternary complex.
Sci Adv, 8, 2022
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7R0C
 | | Structure of the AVP-V2R-arrestin2-ScFv30 complex | | Descriptor: | AVP, Arrestin2, ScFv30, ... | | Authors: | Bous, J, Fouillen, A, Trapani, S, Granier, S, Mouillac, B, Bron, P. | | Deposit date: | 2022-02-01 | | Release date: | 2022-09-14 | | Method: | ELECTRON MICROSCOPY (4.73 Å) | | Cite: | Structure of the vasopressin hormone-V2 receptor-beta-arrestin1 ternary complex.
Sci Adv, 8, 2022
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6QV5
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