8VDK
| Crystal Structure of LPXTG-motif Cell Wall Anchor Domain Protein MSCRAMM_SdrD from Staphylococcus aureus | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | Authors: | Kim, Y, Tan, A, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2023-12-15 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of LPXTG-motif Cell Wall Anchor Domain Protein MSCRAMM_SdrD from Staphylococcus aureus To Be Published
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9EOJ
| Vertebrate microtubule-capping gamma-tubulin ring complex | Descriptor: | Gamma-tubulin complex component, Gamma-tubulin complex component 3 homolog, Gamma-tubulin complex component 6, ... | Authors: | Vermeulen, B.J.A, Pfeffer, S. | Deposit date: | 2024-03-15 | Release date: | 2024-04-17 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (17 Å) | Cite: | gamma-TuRC asymmetry induces local protofilament mismatch at the RanGTP-stimulated microtubule minus end. Embo J., 43, 2024
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8WZT
| SFX structure of an Mn-carbonyl complex immobilized in hen egg white lysozyme microcrystals, 1 microsecond after photoexcitation at RT. | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | Authors: | Maity, B, Shoji, M, Luo, F, Nakane, T, Abe, S, Owada, S, Kang, J, Tono, K, Tanaka, R, Thuc, T.T, Kojima, M, Hishikawa, Y, Tanaka, J, Tian, J, Noya, H, Nakasuji, Y, Asanuma, A, Yao, X, Iwata, S, Shigeta, Y, Nango, E, Ueno, T. | Deposit date: | 2023-11-02 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Real-time observation of a metal complex-driven reaction intermediate using a porous protein crystal and serial femtosecond crystallography. Nat Commun, 15, 2024
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9EQH
| WWP2 WW2-2,3-linker-HECT (WWP2-LH) | Descriptor: | GLYCEROL, Isoform 2 of NEDD4-like E3 ubiquitin-protein ligase WWP2, SODIUM ION | Authors: | Dudey, A.P, Hemmings, A.M. | Deposit date: | 2024-03-21 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Expanding the Inhibitor Space of the WWP1 and WWP2 HECT E3 Ligases To Be Published
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9B76
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9BRZ
| V0-only V-ATPase and synaptophysin complex in mouse brain isolated synaptic vesicles | 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, ... | Authors: | Wang, C, Jiang, W, Yang, K, Wang, X, Guo, Q, Brunger, A.T. | Deposit date: | 2024-05-12 | Release date: | 2024-06-19 | Last modified: | 2024-08-07 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure and topography of the synaptic V-ATPase-synaptophysin complex. Nature, 631, 2024
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9COJ
| SH3-like tandem domain of human KIN protein | Descriptor: | DNA/RNA-binding protein KIN17 | Authors: | de Lourenco, I.O, Fossey, M.A, Souza, F.P, Seixas, F.A.V, Fernandez, M.A, Almeida, F.C.L, Caruso, I.P. | Deposit date: | 2024-07-16 | Release date: | 2024-07-31 | Method: | SOLUTION NMR | Cite: | Solution structure of SH3-like tandem domain of human KIN protein and its interaction with RNA homo-oligonucleotides To Be Published
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9BRY
| V0-only V-ATPase in synaptophysin gene knock-out mouse brain isolated synaptic vesicles | 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, ... | Authors: | Wang, C, Jiang, W, Yang, K, Wang, X, Guo, Q, Brunger, A.T. | Deposit date: | 2024-05-12 | Release date: | 2024-06-19 | Last modified: | 2024-08-07 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structure and topography of the synaptic V-ATPase-synaptophysin complex. Nature, 631, 2024
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7NPC
| ROR(gamma)t ligand binding domain in complex with allosteric ligand FM156 | Descriptor: | 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid, GLYCEROL, Nuclear receptor ROR-gamma | Authors: | de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. | Deposit date: | 2021-02-26 | Release date: | 2021-06-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Structure-Activity Relationship Studies of Trisubstituted Isoxazoles as Selective Allosteric Ligands for the Retinoic-Acid-Receptor-Related Orphan Receptor gamma t. J.Med.Chem., 64, 2021
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7NP5
| ROR(gamma)t ligand binding domain in complex with allosteric ligand FM216 | Descriptor: | 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methoxy]-2-fluoranyl-benzoic acid, Nuclear receptor ROR-gamma | Authors: | Oerlemans, G.J.M, Somsen, B.A, de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. | Deposit date: | 2021-02-26 | Release date: | 2021-06-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure-Activity Relationship Studies of Trisubstituted Isoxazoles as Selective Allosteric Ligands for the Retinoic-Acid-Receptor-Related Orphan Receptor gamma t. J.Med.Chem., 64, 2021
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8WZG
| SFX structure of an Mn-carbonyl complex immobilized in hen egg white lysozyme microcrystals, 10 ns after photoexcitation at RT. | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | Authors: | Maity, B, Shoji, M, Luo, F, Nakane, T, Abe, S, Owada, S, Kang, J, Tono, K, Tanaka, R, Thuc, T.T, Kojima, M, Hishikawa, Y, Tanaka, J, Tian, J, Noya, H, Nakasuji, Y, Asanuma, A, Yao, X, Iwata, S, Shigeta, Y, Nango, E, Ueno, T. | Deposit date: | 2023-11-01 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Real-time observation of a metal complex-driven reaction intermediate using a porous protein crystal and serial femtosecond crystallography. Nat Commun, 15, 2024
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9FSE
| Human ROR2 cysteine-rich domain (CRD) and Kringle domain | Descriptor: | SULFATE ION, Tyrosine-protein kinase transmembrane receptor ROR2 | Authors: | Griffiths, S.C, Tan, J, Wagner, A, Blazer, L.L, Adams, J.J, Srinivasan, S, Moghisaei, S, Sidhu, S.S, Siebold, C, Ho, H.H. | Deposit date: | 2024-06-20 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Structure and function of the ROR2 cysteine-rich domain in vertebrate noncanonical WNT5A signaling. Elife, 13, 2024
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6XWT
| drosophila melanogaster CENP-A/H4 bound to N-terminal CAL1 fragment | Descriptor: | Chromosome alignment defect 1, Histone H3-like centromeric protein cid, Histone H4 | Authors: | Jeyaprakash, A.A, Medina-Pritchard, B, Lazou, V, Zou, J, Byron, O, Abad, M.A, Rappsilber, J, Heun, P. | Deposit date: | 2020-01-24 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.47 Å) | Cite: | Structural basis for centromere maintenance by Drosophila CENP-A chaperone CAL1. Embo J., 39, 2020
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7NEC
| ROR(gamma)t ligand binding domain in complex with allosteric ligand FM217 | Descriptor: | 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-2-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid, Nuclear receptor ROR-gamma | Authors: | Somsen, B.A, de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. | Deposit date: | 2021-02-03 | Release date: | 2021-06-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-Activity Relationship Studies of Trisubstituted Isoxazoles as Selective Allosteric Ligands for the Retinoic-Acid-Receptor-Related Orphan Receptor gamma t. J.Med.Chem., 64, 2021
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9BHS
| Crystal structure of the WDR domain of human DCAF1 in complex with OICR-9939 compound | Descriptor: | (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1, UNKNOWN LIGAND | Authors: | kimani, S, Dong, A, Li, Y, Seitova, A, Al-Awar, R, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2024-04-21 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-9939 compound To be published
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7NP6
| ROR(gamma)t ligand binding domain in complex with allosteric ligand FM257 | Descriptor: | 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrazol-4-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid, Nuclear receptor ROR-gamma | Authors: | Oerlemans, G.J.M, Somsen, B.A, de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. | Deposit date: | 2021-02-26 | Release date: | 2021-06-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structure-Activity Relationship Studies of Trisubstituted Isoxazoles as Selective Allosteric Ligands for the Retinoic-Acid-Receptor-Related Orphan Receptor gamma t. J.Med.Chem., 64, 2021
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9F7W
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9EM3
| OPR3 wild type in its monomeric form | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 12-oxophytodienoate reductase 3, FLAVIN MONONUCLEOTIDE | Authors: | Bijelic, A, Macheroux, P, Kerschbaumer, B. | Deposit date: | 2024-03-07 | Release date: | 2024-08-14 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Analysis of homodimer formation in 12-oxophytodienoate reductase 3 in solutio and crystallo challenges the physiological role of the dimer. Sci Rep, 14, 2024
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8EPA
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9BON
| Crystal structure of glucosyltransferase (GTD) domain of TpeL | Descriptor: | TpeL | Authors: | Gill, S, Sugiman-Marangos, S.N, Beilhartz, G.L, Mei, E, Taipale, M, Melnyk, R.A. | Deposit date: | 2024-05-05 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.222 Å) | Cite: | A diphtheria toxin-like intracellular delivery platform that evades pre-existing antidrug antibodies. Embo Mol Med, 2024
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9C66
| Structure of the Mena EVH1 domain bound to the polyproline segment of PTP1B | Descriptor: | 1,2-ETHANEDIOL, Protein enabled homolog, SULFATE ION, ... | Authors: | LaComb, L, Fedorov, E, Bonanno, J.B, Almo, S.C, Ghosh, A. | Deposit date: | 2024-06-07 | Release date: | 2024-08-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Insights into the Interaction Landscape of the EVH1 Domain of Mena. Biochemistry, 2024
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8YR7
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9EVM
| High pH (8.0) nitrite-bound MSOX movie series dataset 30 of the copper nitrite reductase (NirK) from Bradyrhizobium japonicum USDA110 [20.7 MGy] | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION, ... | Authors: | Rose, S.L, Ferroni, F.M, Horrell, S, Brondino, C.D, Eady, R.R, Jaho, S, Hough, M.A, Owen, A.L, Antonyuk, S.V, Hasnain, S.S. | Deposit date: | 2024-03-30 | Release date: | 2024-07-24 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Spectroscopically Validated pH-dependent MSOX Movies Provide Detailed Mechanism of Copper Nitrite Reductases. J.Mol.Biol., 436, 2024
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9EO0
| Small-Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 | Descriptor: | Programmed cell death 1 ligand 1, SULFATE ION, ~{N}-[3-[3-[[5-[(2-hydroxyethylamino)methyl]pyridin-2-yl]carbonylamino]-2-methyl-phenyl]-2-methyl-phenyl]-5-[[3-(methylsulfonylamino)propylamino]methyl]pyridine-2-carboxamide | Authors: | Plewka, J, Hec, A, Sitar, T, Holak, T. | Deposit date: | 2024-03-14 | Release date: | 2024-06-19 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Nonsymmetrically Substituted 1,1'-Biphenyl-Based Small Molecule Inhibitors of the PD-1/PD-L1 Interaction. Acs Med.Chem.Lett., 15, 2024
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9C1Q
| Crystal structure of the WDR domain of human DCAF1 in complex with OICR-39512 compound | Descriptor: | (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-(3-methoxyprop-1-yn-1-yl)-1H-pyrrole-3-carboxamide, CHLORIDE ION, DDB1- and CUL4-associated factor 1, ... | Authors: | kimani, S, Dong, A, Li, Y, Seitova, A, Al-awar, R, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L. | Deposit date: | 2024-05-29 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-39512 compound To be published
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