5N87
 
 | | TTK kinase domain in complex with NTRC 0066-0 | | Descriptor: | 2,5,8,11-TETRAOXATRIDECANE, Dual specificity protein kinase TTK, SODIUM ION, ... | | Authors: | Uitdehaag, J, Willemsen-Seegers, N, Sterrenburg, J.G, de Man, J, Buijsman, R.C, Zaman, G.J.R. | | Deposit date: | 2017-02-23 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429, 2017
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5NBJ
 | | DLS Tetragonal - ReHEWL | | Descriptor: | CHLORIDE ION, Lysozyme C, RHENIUM, ... | | Authors: | Brink, A, Helliwell, J.R. | | Deposit date: | 2017-03-02 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.266 Å) | | Cite: | New leads for fragment-based design of rhenium/technetium radiopharmaceutical agents.
IUCrJ, 4, 2017
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6B2N
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7YMI
 | | PSII-Pcb Dimer of Acaryochloris Marina | | Descriptor: | (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, (6'R,11cis,11'cis,13cis,15cis)-4',5'-didehydro-5',6'-dihydro-beta,beta-carotene, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... | | Authors: | Shen, L.L, Gao, Y.Z, Wang, W.D, Zhang, X, Shen, J.R, Wang, P.Y, Han, G.Y. | | Deposit date: | 2022-07-28 | | Release date: | 2023-08-16 | | Last modified: | 2024-09-04 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure of a unique PSII-Pcb tetrameric megacomplex in a chlorophyll d -containing cyanobacterium.
Sci Adv, 10, 2024
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7YMM
 | | PSII-Pcb Tetramer of Acaryochloris Marina | | Descriptor: | (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, (6'R,11cis,11'cis,13cis,15cis)-4',5'-didehydro-5',6'-dihydro-beta,beta-carotene, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... | | Authors: | Shen, L.L, Gao, Y.Z, Wang, W.D, Zhang, X, Shen, J.R, Wang, P.Y, Han, G.Y. | | Deposit date: | 2022-07-28 | | Release date: | 2023-08-16 | | Last modified: | 2024-09-04 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structure of a unique PSII-Pcb tetrameric megacomplex in a chlorophyll d -containing cyanobacterium.
Sci Adv, 10, 2024
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1OBQ
 | | Apocrustacyanin C1 crystals grown in space and earth using vapour diffusion geometry | | Descriptor: | CRUSTACYANIN C1 SUBUNIT | | Authors: | Habash, J, Boggon, T.J, Raftery, J, Chayen, N.E, Zagalsky, P.F, Helliwell, J.R. | | Deposit date: | 2003-01-31 | | Release date: | 2003-07-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Apocrustacyanin C(1) Crystals Grown in Space and on Earth Using Vapour-Diffusion Geometry: Protein Structure Refinements and Electron-Density Map Comparisons
Acta Crystallogr.,Sect.D, 59, 2003
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1NXI
 | | Solution structure of Vibrio cholerae protein VC0424 | | Descriptor: | conserved hypothetical protein VC0424 | | Authors: | Ramelot, T.A, Ni, S, Goldsmith-Fischman, S, Cort, J.R, Honig, B, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2003-02-10 | | Release date: | 2003-07-01 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Solution structure of Vibrio cholerae protein VC0424: a variation of the ferredoxin-like fold.
Protein Sci., 12, 2003
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6BLN
 | | BTK complex with compound 13 | | Descriptor: | GLYCEROL, N-(3-{5-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, SULFATE ION, ... | | Authors: | Kiefer, J.R, Eigenbrot, C, Yu, C.L. | | Deposit date: | 2017-11-10 | | Release date: | 2018-11-07 | | Last modified: | 2019-03-27 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 33, 2019
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5N7V
 | | TTK kinase domain in complex with MPI-0479605 | | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Dual specificity protein kinase TTK, ~{N}6-cyclohexyl-~{N}2-(2-methyl-4-morpholin-4-yl-phenyl)-7~{H}-purine-2,6-diamine | | Authors: | Uitdehaag, J, Willemsen-Seegers, N, Zaman, G.J.R. | | Deposit date: | 2017-02-21 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429, 2017
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1MUQ
 | | X-ray Crystal Structure of Rattlesnake Venom Complexed With Thiodigalactoside | | Descriptor: | 1-thio-beta-D-galactopyranose-(1-1)-beta-D-galactopyranose, CALCIUM ION, Galactose-specific lectin, ... | | Authors: | Walker, J.R, Nagar, B, Young, N.M, Hirama, T, Rini, J.M. | | Deposit date: | 2002-09-24 | | Release date: | 2003-07-01 | | Last modified: | 2020-10-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | X-ray Crystal Structure of a Galactose-Specific C-Type Lectin Possessing a Novel Decameric Quaternary Structure.
Biochemistry, 43, 2004
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1MVS
 | | Analysis of Two Polymorphic Forms of a Pyrido[2,3-d]pyrimidine N9-C10 Reverse-Bridge Antifolate Binary Complex with Human Dihydrofolate Reductase | | Descriptor: | 2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHOXYBENZYL)-N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE, Dihydrofolate Reductase, SULFATE ION | | Authors: | Cody, V, Galitsky, N, Luft, J.R, Pangborn, W.A, Gangjee, A. | | Deposit date: | 2002-09-26 | | Release date: | 2003-04-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Analysis of two polymorphic forms of a pyrido[2,3-d]pyrimidine N9-C10 reversed-bridge antifolate binary complex with human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 59, 2003
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7RR9
 | | Cryo-EM Structure of Nanodisc reconstituted ABCD1 in nucleotide bound outward open conformation | | Descriptor: | ATP-binding cassette sub-family D member 1, CHOLESTEROL, MAGNESIUM ION, ... | | Authors: | Alam, A, Le, L.T.M, Thompson, J.R. | | Deposit date: | 2021-08-09 | | Release date: | 2022-01-19 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structures of the human peroxisomal fatty acid transporter ABCD1 in a lipid environment
Commun Biol, 5, 2022
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7RRA
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6D3S
 | | Thermostabilized phosphorylated chicken CFTR | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator | | Authors: | Fay, J.F, Riordan, J.R, Chen, Z.J. | | Deposit date: | 2018-04-16 | | Release date: | 2018-10-17 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (6.6 Å) | | Cite: | Cryo-EM Visualization of an Active High Open Probability CFTR Anion Channel.
Biochemistry, 57, 2018
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7RRO
 | | Structure of the 48-nm repeat doublet microtubule from bovine tracheal cilia | | Descriptor: | Armadillo repeat containing 4, Chromosome 3 C1orf194 homolog, Cilia and flagella associated protein 161, ... | | Authors: | Gui, M, Anderson, J.R, Botsch, J.J, Meleppattu, S, Singh, S.K, Zhang, Q, Brown, A. | | Deposit date: | 2021-08-10 | | Release date: | 2021-10-27 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | De novo identification of mammalian ciliary motility proteins using cryo-EM.
Cell, 184, 2021
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6CJO
 | | Crystal Structure of Chalcone Isomerase from Medicago Sativa with the G95S mutation. | | Descriptor: | Chalcone--flavonone isomerase 1, SULFATE ION | | Authors: | Burke, J.R, La Clair, J.J, Philippe, R.N, Pabis, A, Jez, J.M, Cortina, G, Kaltenbach, M, Bowman, M.E, Woods, K.B, Nelson, A.T, Tawfik, D.S, Kamerlin, S.C.L, Noel, J.P. | | Deposit date: | 2018-02-26 | | Release date: | 2019-03-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Bifunctional Substrate Activation via an Arginine Residue Drives Catalysis in Chalcone Isomerases
Acs Catalysis, 2019
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8A31
 | | p53 cancer mutant Y220C in complex with iodophenol-based small-molecule stabilizer JC694 | | Descriptor: | 4-(3-fluoranylpyrrol-1-yl)-3,5-bis(iodanyl)-2-oxidanyl-benzoic acid, Cellular tumor antigen p53, GLYCEROL, ... | | Authors: | Balourdas, D.I, Stephenson Clarke, J.R, Baud, M.G.J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-06-06 | | Release date: | 2022-11-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Discovery of Nanomolar-Affinity Pharmacological Chaperones Stabilizing the Oncogenic p53 Mutant Y220C.
Acs Pharmacol Transl Sci, 5, 2022
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8A32
 | | p53 cancer mutant Y220C in complex with iodophenol-based small-molecule stabilizer JC769 | | Descriptor: | 1,2-ETHANEDIOL, 4-[3,4-bis(fluoranyl)pyrrol-1-yl]-3,5-bis(iodanyl)-2-oxidanyl-benzoic acid, Cellular tumor antigen p53, ... | | Authors: | Balourdas, D.I, Stephenson Clarke, J.R, Baud, M.G.J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-06-06 | | Release date: | 2022-11-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Discovery of Nanomolar-Affinity Pharmacological Chaperones Stabilizing the Oncogenic p53 Mutant Y220C.
Acs Pharmacol Transl Sci, 5, 2022
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6C6X
 | | Crystal structure of Middle-East Respiratory Syndrome (MERS) coronavirus neutralizing antibody JC57-14 isolated from a vaccinated rhesus macaque. | | Descriptor: | JC57-14 Heavy chain, JC57-14 Light chain | | Authors: | Joyce, M.G, Mascola, J.R, Graham, B.S, Kwong, P.D. | | Deposit date: | 2018-01-19 | | Release date: | 2018-02-28 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Importance of Neutralizing Monoclonal Antibodies Targeting Multiple Antigenic Sites on the Middle East Respiratory Syndrome Coronavirus Spike Glycoprotein To Avoid Neutralization Escape.
J. Virol., 92, 2018
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7SSX
 | | Structure of human Kv1.3 | | Descriptor: | POTASSIUM ION, Potassium voltage-gated channel subfamily A member 3, Green fluorescent protein fusion | | Authors: | Meyerson, J.R, Selvakumar, P. | | Deposit date: | 2021-11-11 | | Release date: | 2022-06-29 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.89 Å) | | Cite: | Structures of the T cell potassium channel Kv1.3 with immunoglobulin modulators.
Nat Commun, 13, 2022
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7SSY
 | | Structure of human Kv1.3 (alternate conformation) | | Descriptor: | POTASSIUM ION, Potassium voltage-gated channel subfamily A member 3,Green fluorescent protein fusion | | Authors: | Meyerson, J.R, Selvakumar, P. | | Deposit date: | 2021-11-11 | | Release date: | 2022-06-29 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.89 Å) | | Cite: | Structures of the T cell potassium channel Kv1.3 with immunoglobulin modulators.
Nat Commun, 13, 2022
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7SSZ
 | | Structure of human Kv1.3 with A0194009G09 nanobodies | | Descriptor: | Nanobody A0194009G09, POTASSIUM ION, Potassium voltage-gated channel subfamily A member 3,Green fluorescent protein fusion | | Authors: | Meyerson, J.R, Selvakumar, P. | | Deposit date: | 2021-11-11 | | Release date: | 2022-06-29 | | Last modified: | 2022-07-20 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | Structures of the T cell potassium channel Kv1.3 with immunoglobulin modulators.
Nat Commun, 13, 2022
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1Q48
 | | Solution NMR Structure of The Haemophilus Influenzae Iron-Sulfur Cluster Assembly Protein U (IscU) with Zinc Bound at the Active Site. Northeast Structural Genomics Consortium Target IR24. This protein is not apo, it is a model without zinc binding constraints. | | Descriptor: | NifU-like protein | | Authors: | Ramelot, T.A, Cort, J.R, Xiao, R, Shastry, R, Acton, T.B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2003-08-01 | | Release date: | 2003-11-18 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure of the iron-sulfur cluster assembly protein U (IscU) with zinc bound at the active site.
J.Mol.Biol., 344, 2004
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7SSV
 | | Structure of human Kv1.3 with Fab-ShK fusion | | Descriptor: | Fab-ShK fusion, heavy chain, light chain, ... | | Authors: | Meyerson, J.R, Selvakumar, P, Smider, V, Huang, R. | | Deposit date: | 2021-11-11 | | Release date: | 2022-06-29 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.39 Å) | | Cite: | Structures of the T cell potassium channel Kv1.3 with immunoglobulin modulators.
Nat Commun, 13, 2022
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1Q2P
 | | SHV-1 class A beta-lactamase complexed with penem WAY185229 | | Descriptor: | (6,7-DIHYDRO-5H-CYCLOPENTA[D]IMIDAZO[2,1-B]THIAZOL-2-YL]-4,7-DIHYDRO[1,4]THIAZEPINE-3,6-DICARBOXYLIC ACID, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, beta-lactamase SHV-1 | | Authors: | Nukaga, M, Venkatesan, A.M, Mansour, T.S, Hujer, A, Bonomo, R.A, Knox, J.R. | | Deposit date: | 2003-07-25 | | Release date: | 2004-09-14 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-activity relationship of 6-methylidene penems bearing tricyclic heterocycles as broad-spectrum beta-lactamase inhibitors: crystallographic structures show unexpected binding of 1,4-thiazepine intermediates
J.Med.Chem., 47, 2004
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