7UR6
 
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7CWE
 | | Human Fructose-1,6-bisphosphatase 1 in APO R-state | | Descriptor: | Fructose-1,6-bisphosphatase 1, MAGNESIUM ION | | Authors: | Chen, Y, Zhang, J, Li, C, Cao, Y. | | Deposit date: | 2020-08-28 | | Release date: | 2021-09-08 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Human Fructose-1,6-bisphosphatase 1 in APO R-state
To Be Published
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5WN4
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4BTK
 | | TTBK1 in complex with inhibitor | | Descriptor: | 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE, DIMETHYL SULFOXIDE, TAU-TUBULIN KINASE 1 | | Authors: | Xue, Y, Wan, P, Hillertz, P, Schweikart, F, Zhao, Y, Wissler, L, Dekker, N. | | Deposit date: | 2013-06-18 | | Release date: | 2013-09-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-Ray Structural Analysis of Tau-Tubulin Kinase 1 and its Interactions with Small Molecular Inhibitors.
Chemmedchem, 8, 2013
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7G0P
 | | Crystal Structure of human FABP4 in complex with 3-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1-sulfonic acid, i.e. SMILES N1(c2ccccc2)C(=S)SC(=N1)SCCCS(=O)(=O)O with IC50=5.6 microM | | Descriptor: | 1,2-ETHANEDIOL, 3-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1-sulfonic acid, FORMIC ACID, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Kumagai, Y, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2025-08-13 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | A high-resolution data set of fatty acid-binding protein structures. III. Unexpectedly high occurrence of wrong ligands.
Acta Crystallogr D Struct Biol, 81, 2025
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6BMX
 | | Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP844 | | Descriptor: | 1-(3-chloro-4-{[1-(2-hydroxy-3-methoxyphenyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]methyl}benzene-1-carbonyl)-L-proline, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Stams, T, Fodor, M. | | Deposit date: | 2017-11-15 | | Release date: | 2018-01-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.424 Å) | | Cite: | Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
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9ELH
 | | Cryo-EM structure of SARS-CoV-2 Omicron KP.3.1.1 spike protein (one RBD up state) | | 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: | Feng, Z, Huang, J, Ward, A.B. | | Deposit date: | 2024-12-04 | | Release date: | 2025-05-28 | | Last modified: | 2025-07-16 | | Method: | ELECTRON MICROSCOPY (2.98 Å) | | Cite: | Structural and functional insights into the evolution of SARS-CoV-2 KP.3.1.1 spike protein.
Cell Rep, 44, 2025
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9ELE
 | | Cryo-EM structure of SARS-CoV-2 Omicron KP.3.1.1 RBD in complex with human ACE2 (local refinement of RBD and hACE2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | | Authors: | Feng, Z, Huang, J, Ward, A.B. | | Deposit date: | 2024-12-04 | | Release date: | 2025-05-28 | | Last modified: | 2025-07-16 | | Method: | ELECTRON MICROSCOPY (3.16 Å) | | Cite: | Structural and functional insights into the evolution of SARS-CoV-2 KP.3.1.1 spike protein.
Cell Rep, 44, 2025
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9ELF
 | | Cryo-EM structure of SARS-CoV-2 Omicron KP.3.1.1 spike protein in complex with human ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | | Authors: | Feng, Z, Huang, J, Ward, A.B. | | Deposit date: | 2024-12-04 | | Release date: | 2025-05-28 | | Last modified: | 2025-07-16 | | Method: | ELECTRON MICROSCOPY (2.88 Å) | | Cite: | Structural and functional insights into the evolution of SARS-CoV-2 KP.3.1.1 spike protein.
Cell Rep, 44, 2025
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4Y76
 | | Factor Xa complex with GTC000401 | | Descriptor: | CALCIUM ION, Coagulation factor X, N~2~-[(6-chloronaphthalen-2-yl)sulfonyl]-N~2~-{(3S)-1-[(2S)-1-(4-methyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}glycinamide | | Authors: | Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S. | | Deposit date: | 2015-02-13 | | Release date: | 2015-09-30 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Factor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfonamides.
J. Med. Chem., 50, 2007
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9ELO
 | | Cryo-EM structure of SARS-CoV-2 Omicron JN.1.11+S31 deletion spike protein (closed state) | | 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: | Feng, Z, Huang, J, Ward, A.B. | | Deposit date: | 2024-12-04 | | Release date: | 2025-05-28 | | Last modified: | 2025-07-23 | | Method: | ELECTRON MICROSCOPY (2.74 Å) | | Cite: | Structural and functional insights into the evolution of SARS-CoV-2 KP.3.1.1 spike protein.
Cell Rep, 44, 2025
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4CDM
 | | Crystal structure of M. mazei photolyase soaked with synthetic 8-HDF | | Descriptor: | 1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol, DEOXYRIBODIPYRIMIDINE PHOTOLYASE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Kiontke, S, Batschauer, A, Essen, L.-O. | | Deposit date: | 2013-11-01 | | Release date: | 2014-05-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and Evolutionary Aspects of Antenna Chromophore Usage by Class II Photolyases.
J.Biol.Chem., 289, 2014
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9ELI
 | | Cryo-EM structure of SARS-CoV-2 Omicron KP.3.1.1 spike protein (closed state) | | 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: | Feng, Z, Huang, J, Ward, A.B. | | Deposit date: | 2024-12-04 | | Release date: | 2025-05-28 | | Last modified: | 2025-07-16 | | Method: | ELECTRON MICROSCOPY (2.82 Å) | | Cite: | Structural and functional insights into the evolution of SARS-CoV-2 KP.3.1.1 spike protein.
Cell Rep, 44, 2025
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9ELN
 | | Cryo-EM structure of SARS-CoV-2 Omicron JN.1.11+S31 deletion spike protein (one RBD up state) | | 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: | Feng, Z, Huang, J, Ward, A.B. | | Deposit date: | 2024-12-04 | | Release date: | 2025-05-28 | | Last modified: | 2025-07-23 | | Method: | ELECTRON MICROSCOPY (2.93 Å) | | Cite: | Structural and functional insights into the evolution of SARS-CoV-2 KP.3.1.1 spike protein.
Cell Rep, 44, 2025
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9ELP
 | | Cryo-EM structure of SARS-CoV-2 Omicron JN.1.11.1+S31 deletion spike protein (one RBD up state) | | 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: | Feng, Z, Huang, J, Ward, A.B. | | Deposit date: | 2024-12-04 | | Release date: | 2025-05-28 | | Last modified: | 2025-07-23 | | Method: | ELECTRON MICROSCOPY (2.94 Å) | | Cite: | Structural and functional insights into the evolution of SARS-CoV-2 KP.3.1.1 spike protein.
Cell Rep, 44, 2025
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9ELQ
 | | Cryo-EM structure of SARS-CoV-2 Omicron JN.1.11.1+S31 deletion spike protein (closed state) | | 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: | Feng, Z, Huang, J, Ward, A.B. | | Deposit date: | 2024-12-04 | | Release date: | 2025-05-28 | | Last modified: | 2025-07-23 | | Method: | ELECTRON MICROSCOPY (2.64 Å) | | Cite: | Structural and functional insights into the evolution of SARS-CoV-2 KP.3.1.1 spike protein.
Cell Rep, 44, 2025
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9ELL
 | | Cryo-EM structure of SARS-CoV-2 Omicron JN.1.11 spike protein (one RBD up state) | | 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: | Feng, Z, Huang, J, Ward, A.B. | | Deposit date: | 2024-12-04 | | Release date: | 2025-06-04 | | Last modified: | 2025-08-27 | | Method: | ELECTRON MICROSCOPY (2.93 Å) | | Cite: | Structural and functional insights into the evolution of SARS-CoV-2 KP.3.1.1 spike protein.
Cell Rep, 44, 2025
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9ELJ
 | | Cryo-EM structure of SARS-CoV-2 Omicron JN.1.11+Q493E+S31deletion spike protein (one RBD up state) | | 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: | Feng, Z, Huang, J, Ward, A.B. | | Deposit date: | 2024-12-04 | | Release date: | 2025-06-04 | | Last modified: | 2025-08-27 | | Method: | ELECTRON MICROSCOPY (2.92 Å) | | Cite: | Structural and functional insights into the evolution of SARS-CoV-2 KP.3.1.1 spike protein.
Cell Rep, 44, 2025
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9ELK
 | | Cryo-EM structure of SARS-CoV-2 Omicron JN.1.11+Q493E+S31deletion spike protein (closed state) | | 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: | Feng, Z, Huang, J, Ward, A.B. | | Deposit date: | 2024-12-04 | | Release date: | 2025-06-04 | | Last modified: | 2025-08-27 | | Method: | ELECTRON MICROSCOPY (2.82 Å) | | Cite: | Structural and functional insights into the evolution of SARS-CoV-2 KP.3.1.1 spike protein.
Cell Rep, 44, 2025
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9ELM
 | | Cryo-EM structure of SARS-CoV-2 Omicron JN.1.11 spike protein (closed state) | | 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: | Feng, Z, Huang, J, Ward, A.B. | | Deposit date: | 2024-12-04 | | Release date: | 2025-06-04 | | Last modified: | 2025-08-27 | | Method: | ELECTRON MICROSCOPY (2.68 Å) | | Cite: | Structural and functional insights into the evolution of SARS-CoV-2 KP.3.1.1 spike protein.
Cell Rep, 44, 2025
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6T5A
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1QGM
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6TCC
 | | Crystal structure of Salmo salar RidA-1 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Ricagno, S, Visentin, C, Di Pisa, F, Digiovanni, S, Oberti, L, Degani, G, Popolo, L, Bartorelli, A. | | Deposit date: | 2019-11-05 | | Release date: | 2020-07-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Two novel fish paralogs provide insights into the Rid family of imine deaminases active in pre-empting enamine/imine metabolic damage.
Sci Rep, 10, 2020
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6F83
 | | Crystal Structure of Human Galectin-1 in Complex With Thienyl-1,2, 3-triazolyl Thiodigalactoside Inhibitor | | Descriptor: | 3-deoxy-3-[4-(thiophen-3-yl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-1-thio-3-[4-(thiophen-3-yl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranoside, Galectin-1 | | Authors: | Collins, P.M, Blanchard, H. | | Deposit date: | 2017-12-12 | | Release date: | 2019-01-30 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Aromatic heterocycle galectin-1 interactions for selective single-digit nM affinity ligands
To be published
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5CYM
 | | HIV-1 reverse transcriptase complexed with 4-iodopyrazole | | Descriptor: | 1,2-ETHANEDIOL, 4-IODOPYRAZOLE, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ... | | Authors: | Bauman, J.D, Arnold, E. | | Deposit date: | 2015-07-30 | | Release date: | 2015-12-30 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Rapid experimental SAD phasing and hot spot identification with halogenated fragments
Iucrj, 3, 2016
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