9EFE
 
 | | Crystal Structure in space group P21 of a nucleoid-associated protein (UBP) from Sulfolobus islandicus. | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Plasmid pARN4 | | Authors: | Dhanaraju, R, Gonzalez-Gutierrez, G, Bell, S.D. | | Deposit date: | 2024-11-20 | | Release date: | 2025-06-11 | | Last modified: | 2025-06-18 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | An archaeal nucleoid-associated protein binds an essential motif in DNA replication origins.
Nat Commun, 16, 2025
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9H6P
 | | Crystal structure of NUDT14 complexed with novel compound AMNUDT14-003 in spacegroup P1 | | Descriptor: | 3-(1H-indol-6-yl)-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine, Uridine diphosphate glucose pyrophosphatase NUDT14 | | Authors: | Balikci, E, Koekemoer, L, Dlamini, L.S, Gurav, N, Apostolidou, M, Adcock, C, McGown, A, Marques, A.M.C, Spencer, J, Huber, K.V.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-10-24 | | Release date: | 2025-11-05 | | Method: | X-RAY DIFFRACTION (3.162 Å) | | Cite: | Crystal structure of NUDT14 complexed with novel compound AMNUDT14-003 in spacegroup
To Be Published
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6RDK
 | | Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 1B, composite map | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ASA-10: Polytomella F-ATP synthase associated subunit 10, ... | | Authors: | Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W. | | Deposit date: | 2019-04-12 | | Release date: | 2019-07-03 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling.
Science, 364, 2019
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7P17
 | | F(M197)H mutant structure of Photosynthetic Reaction Center From Rhodobacter Sphaeroides strain RV by fixed-target serial synchrotron crystallography (room temperature, 12keV) | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 1,2-ETHANEDIOL, ... | | Authors: | Gabdulkhakov, A.G, Selikhanov, G.K, Guenther, S, Meents, A, Fufina, T.Y, Vasilieva, L.G. | | Deposit date: | 2021-07-01 | | Release date: | 2022-07-13 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | X-Ray structure of Rhodobacter sphaeroides reaction center with M197 Phe-His substitution clarifies properties of the mutant complex
To Be Published
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6RE0
 | | Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 2A, monomer-masked refinement | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ASA-10: Polytomella F-ATP synthase associated subunit 10, ... | | Authors: | Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W. | | Deposit date: | 2019-04-12 | | Release date: | 2019-07-03 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling.
Science, 364, 2019
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8V0V
 | | SARS-CoV-2 Omicron-EG.5 3-RBD down Spike Protein Trimer 1 (S-GSAS-Omicron-EG.5) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Zhang, Q.E, Acharya, P. | | Deposit date: | 2023-11-17 | | Release date: | 2024-06-12 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | SARS-CoV-2 Omicron XBB lineage spike structures, conformations, antigenicity, and receptor recognition.
Mol.Cell, 84, 2024
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4TK0
 | | Crystal Structure of human Tankyrase 2 in complex with DPQ. | | Descriptor: | 5-[4-(piperidin-1-yl)butoxy]-3,4-dihydroisoquinolin-1(2H)-one, Tankyrase-2, ZINC ION | | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | | Deposit date: | 2014-05-25 | | Release date: | 2014-11-05 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
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6O69
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8YKI
 | | FGFR-1 in complex with ligand tasurgratinib | | Descriptor: | CHLORIDE ION, Fibroblast growth factor receptor 1, Tasurgratinib | | Authors: | Ikemori-Kawada, M, Watanabe Miyano, S. | | Deposit date: | 2024-03-05 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Antitumor Activity of Tasurgratinib as an Orally Available FGFR1-3 Inhibitor in Cholangiocarcinoma Models With FGFR2-fusion.
Anticancer Res., 44, 2024
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7OVI
 | | Protein kinase MKK7 in complex with phenethyltriazole-substituted pyrazolopyrimidine | | Descriptor: | 1-[(3~{R})-3-[4-azanyl-3-[1-(2-phenylethyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7 | | Authors: | Kleinboelting, S, Buehrmann, M, Mueller, M.P, Rauh, D. | | Deposit date: | 2021-06-15 | | Release date: | 2022-07-20 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Optimization of Covalent MKK7 Inhibitors via Crude Nanomole-Scale Libraries.
J.Med.Chem., 65, 2022
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1NC4
 | | Crystal Structure of Monoclonal Antibody 2D12.5 Fab Complexed with Gd-DOTA | | Descriptor: | (S)-2-(4-NITROBENZYL)-1,4,7,10-TETRAAZACYCLODODECANE-N,N',N'',N'''-TETRAACETATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Corneillie, T.M, Fisher, A.J, Meares, C.F. | | Deposit date: | 2002-12-04 | | Release date: | 2003-12-16 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structures of two complexes of the rare-earth-DOTA-binding antibody 2D12.5: ligand generality from a chiral system.
J.Am.Chem.Soc., 125, 2003
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9J17
 | | Structure of the wild-type AZG2 in Arabidopsis thaliana in the trans-Zeatin-bound state-1 at pH 7.4 | | Descriptor: | (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, Adenine/guanine permease AZG2 | | Authors: | Sun, L, Liu, X, Wei, H, Yang, Z, Ying, W. | | Deposit date: | 2024-08-03 | | Release date: | 2025-03-19 | | Last modified: | 2025-10-01 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural basis of cytokinin transport by the Arabidopsis AZG2.
Nat Commun, 16, 2025
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3JSR
 | | X-Ray structure of All0216 protein from Nostoc sp. PCC 7120 at the resolution 1.8A. Northeast Structural Genomics Consortium target NsR236 | | Descriptor: | All0216 protein, POTASSIUM ION | | Authors: | Kuzin, A.P, Chen, Y, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2009-09-10 | | Release date: | 2009-09-22 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-Ray structure of All0216 protein from Nostoc sp. PCC 7120 at the resolution 1.8A
To be Published
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9JB1
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5NIH
 | | Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with agonist LM-12b at 1.3 A resolution. | | Descriptor: | (3~{a}~{R},4~{S},6~{a}~{R})-1-methyl-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-c]pyrazole-3,4-dicarboxylic acid, ACETATE ION, CHLORIDE ION, ... | | Authors: | Laulumaa, S, Frydenvang, K.A, Kastrup, J.S. | | Deposit date: | 2017-03-24 | | Release date: | 2017-07-26 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structure and Affinity of Two Bicyclic Glutamate Analogues at AMPA and Kainate Receptors.
ACS Chem Neurosci, 8, 2017
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9JAZ
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8F88
 | | Crystal structure of PTP1B D181A/Q262A/C215A phosphatase domain with monophosphorylated JAK2 activation loop phosphopeptide | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein kinase JAK2, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Morris, R, Kershaw, N.J, Babon, J.J. | | Deposit date: | 2022-11-21 | | Release date: | 2023-07-05 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure guided studies of the interaction between PTP1B and JAK.
Commun Biol, 6, 2023
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5NIO
 | | EthR complex | | Descriptor: | HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-butyl-4-methyl-piperidine-1-carboxamide | | Authors: | Pohl, E, Tatum, N.J, Cole, J.C, Baulard, A.R. | | Deposit date: | 2017-03-24 | | Release date: | 2017-11-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | New active leads for tuberculosis booster drugs by structure-based drug discovery.
Org. Biomol. Chem., 15, 2017
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4S35
 | | AMPPCP and TMP bound Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Biswas, A, Jeyakanthan, J, Sekar, K, Kuramitsu, S, Yokoyama, S. | | Deposit date: | 2015-01-26 | | Release date: | 2016-01-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural studies of a hyperthermophilic thymidylate kinase enzyme reveal conformational substates along the reaction coordinate.
Febs J., 284, 2017
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7VR6
 | | Crystal structure of MlaC from Escherichia coli in quasi-open state | | Descriptor: | 1,2-ETHANEDIOL, DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Intermembrane phospholipid transport system binding protein MlaC | | Authors: | Dutta, A, Kanaujia, S.P. | | Deposit date: | 2021-10-21 | | Release date: | 2022-09-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | MlaC belongs to a unique class of non-canonical substrate-binding proteins and follows a novel phospholipid-binding mechanism.
J.Struct.Biol., 214, 2022
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6B3A
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8DC6
 | | Crystal structure of p53 Y220C covalently bound to indole KG6 | | Descriptor: | 1-(2-methylprop-2-enoyl)-1H-indole-3-carbaldehyde, bound form, Cellular tumor antigen p53, ... | | Authors: | Guiley, K.Z, Shokat, K.M. | | Deposit date: | 2022-06-15 | | Release date: | 2022-10-12 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.60000908 Å) | | Cite: | A Small Molecule Reacts with the p53 Somatic Mutant Y220C to Rescue Wild-type Thermal Stability.
Cancer Discov, 13, 2023
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6OJK
 | | Structure of YePL2A K291W in Complex with Tetragalacturonic Acid | | Descriptor: | 1,2-ETHANEDIOL, Periplasmic pectate lyase, alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid | | Authors: | Jones, D.R, Abbott, D.W. | | Deposit date: | 2019-04-11 | | Release date: | 2019-11-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A surrogate structural platform informed by ancestral reconstruction and resurrection of a putative carbohydrate binding module hybrid illuminates the neofunctionalization of a pectate lyase.
J.Struct.Biol., 207, 2019
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4ZEK
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7PY4
 | | Cryo-EM structure of ATP8B1-CDC50A in E2P autoinhibited state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BERYLLIUM TRIFLUORIDE ION, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Dieudonne, T, Abad-Herrera, S, Juknaviciute Laursen, M, Lejeune, M, Stock, C, Slimani, K, Jaxel, C, Lyons, J.A, Montigny, C, Gunther Pomorski, T, Nissen, P, Lenoir, G. | | Deposit date: | 2021-10-08 | | Release date: | 2022-04-27 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Autoinhibition and regulation by phosphoinositides of ATP8B1, a human lipid flippase associated with intrahepatic cholestatic disorders.
Elife, 11, 2022
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