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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6CJN
| Crystal Structure of Chalcone Isomerase from Medicago Sativa with the G95T 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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7ZPW
| Crystal structure of Pizza6-TSK-TSH with Silicotungstic Acid (STA) polyoxometalate | Descriptor: | Keggin (STA), Pizza6-TSK-TSH | Authors: | Wouters, S.M.L, Kamata, K, Takahashi, K, Vandebroek, L, Parac-Vogt, T.N, Tame, J.R.H, Voet, A.R.D. | Deposit date: | 2022-04-29 | Release date: | 2023-05-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mutational study of a symmetry matched protein-polyoxometalate interface. To be published
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7ZPH
| Crystal structure of Pizza6-TNK-RSH with Silicotungstic Acid (STA) polyoxometalate | Descriptor: | Keggin (STA), Pizza6-TNK-RSH | Authors: | Wouters, S.M.L, Kamata, K, Takahashi, K, Vandebroek, L, Parac-Vogt, T.N, Tame, J.R.H, Voet, A.R.D. | Deposit date: | 2022-04-27 | Release date: | 2023-05-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Mutational study of a symmetry matched protein-polyoxometalate interface To be published
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8MHT
| CYTOSINE-SPECIFIC METHYLTRANSFERASE HHAI/DNA COMPLEX | Descriptor: | 5'-D(P*CP*CP*AP*TP*GP*UP*GP*CP*TP*GP*AP*C)-3', 5'-D(P*GP*TP*CP*AP*GP*CP*GP*CP*AP*TP*GP*G)-3', CYTOSINE-SPECIFIC METHYLTRANSFERASE HHAI, ... | Authors: | O'Gara, M, Horton, J.R, Roberts, R.J, Cheng, X. | Deposit date: | 1998-08-06 | Release date: | 1998-11-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Structures of HhaI methyltransferase complexed with substrates containing mismatches at the target base. Nat.Struct.Biol., 5, 1998
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5M10
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1L5J
| CRYSTAL STRUCTURE OF E. COLI ACONITASE B. | Descriptor: | ACONITATE ION, Aconitate hydratase 2, FE3-S4 CLUSTER | Authors: | Williams, C.H, Stillman, T.J, Barynin, V.V, Sedelnikova, S.E, Tang, Y, Green, J, Guest, J.R, Artymiuk, P.J. | Deposit date: | 2002-03-07 | Release date: | 2002-06-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | E. coli aconitase B structure reveals a HEAT-like domain with implications for protein-protein recognition. Nat.Struct.Biol., 9, 2002
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4PBB
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6SIH
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1LE8
| Crystal Structure of the MATa1/MATalpha2-3A Heterodimer Bound to DNA Complex | Descriptor: | 5'-D(*AP*CP*AP*TP*GP*TP*AP*AP*AP*AP*AP*TP*TP*TP*AP*CP*AP*TP*CP*A)-3', 5'-D(*TP*TP*GP*AP*TP*GP*TP*AP*AP*AP*TP*TP*TP*TP*TP*AP*CP*AP*TP*G)-3', MATING-TYPE PROTEIN A-1, ... | Authors: | Ke, A, Mathias, J.R, Vershon, A.K, Wolberger, C. | Deposit date: | 2002-04-09 | Release date: | 2002-05-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and Thermodynamic Characterization of the DNA Binding Properties of a Triple Alanine Mutant of MATalpha2 Structure, 10, 2002
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5MK7
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5WBG
| Crystal Structure of human Cytochrome P450 2B6 (Y226H/K262R) in complex with an analog of a drug Efavirenz | Descriptor: | (2R,4S)-6-chloro-4-(cyclopropylethynyl)-2-methyl-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, 5-cyclohexylpentan-1-ol, ... | Authors: | Shah, M.B, Halpert, J.R. | Deposit date: | 2017-06-29 | Release date: | 2018-05-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Crystal Structure of CYP2B6 in Complex with an Efavirenz Analog. Int J Mol Sci, 19, 2018
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6BN5
| Non-receptor Protein Tyrosine Phosphatase SHP2 F285S in Complex with Allosteric Inhibitor JLR-2 | Descriptor: | 3-benzyl-8-chloro-2-hydroxy-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Blacklow, S.C, Stams, T, Fodor, M, LaRochelle, J.R. | Deposit date: | 2017-11-16 | Release date: | 2017-12-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Identification of an allosteric benzothiazolopyrimidone inhibitor of the oncogenic protein tyrosine phosphatase SHP2. Bioorg. Med. Chem., 25, 2017
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5WCF
| Human HMT1 hnRNP methyltransferase-like protein 6 (S. cerevisiae) | Descriptor: | (5R)-4-(5-bromofuran-2-carbonyl)-5-(4-fluorophenyl)-7-methyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one, Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Dong, A, Zeng, H, Hutch, A, Seitova, A, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2017-06-30 | Release date: | 2017-08-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | The Crystal Structure of Human HMT1 hnRNP methyltransferase-like protein 6 in complex with MTLLE1441 to be published
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5MIJ
| X-ray structure of carboplatin-encapsulated horse spleen apoferritin | Descriptor: | CADMIUM ION, CHLORIDE ION, Ferritin light chain, ... | Authors: | Pontillo, N, Ferraro, G, Helliwell, J.R, Merlino, A. | Deposit date: | 2016-11-28 | Release date: | 2017-03-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | X-ray Structure of the Carboplatin-Loaded Apo-Ferritin Nanocage. ACS Med Chem Lett, 8, 2017
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5U55
| Psf4 in complex with Mn2+ and (S)-2-HPP | Descriptor: | (S)-2-HYDROXYPROPYLPHOSPHONIC ACID, (S)-2-hydroxypropylphosphonic acid epoxidase, MANGANESE (II) ION | Authors: | Chekan, J.R, Nair, S.K. | Deposit date: | 2016-12-06 | Release date: | 2017-01-04 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Characterization of Two Late-Stage Enzymes Involved in Fosfomycin Biosynthesis in Pseudomonads. ACS Chem. Biol., 12, 2017
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5U5D
| Psf4 in complex with Mn2+ and (R)-2-HPP | Descriptor: | (S)-2-hydroxypropylphosphonic acid epoxidase, MANGANESE (II) ION, [(2R)-2-hydroxypropyl]phosphonic acid | Authors: | Chekan, J.R, Nair, S.K. | Deposit date: | 2016-12-06 | Release date: | 2017-01-04 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Characterization of Two Late-Stage Enzymes Involved in Fosfomycin Biosynthesis in Pseudomonads. ACS Chem. Biol., 12, 2017
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4RA0
| An engineered Axl 'decoy receptor' effectively silences the Gas6-Axl signaling axis | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | Authors: | Kariolis, M.S, Kapur, S, Mathews, I.I, Cochran, J.R. | Deposit date: | 2014-09-09 | Release date: | 2014-09-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.07 Å) | Cite: | An engineered Axl 'decoy receptor' effectively silences the Gas6-Axl signaling axis. Nat.Chem.Biol., 10, 2014
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5W9E
| Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-186 | Descriptor: | 1-tert-butyl-3-[(3-chlorophenyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1 | Authors: | El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Hui, R, Walker, J.R. | Deposit date: | 2017-06-23 | Release date: | 2017-08-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-186 To be published
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8P34
| Tau filaments extracted from human brain with the DeltaK281 mutation in MAPT | Descriptor: | Microtubule-associated protein tau | Authors: | Schweighauser, M, Garringer, H.J, Klingstedt, T, Masuda-Suzukake, M, Murrell, J.R, Vidal, R, Scheres, S.H.W, Goedert, M, Ghetti, B, Newell, K.L. | Deposit date: | 2023-05-17 | Release date: | 2023-07-05 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.61 Å) | Cite: | Mutation ∆K281 in MAPT causes Pick's disease. Acta Neuropathol, 146, 2023
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5WCI
| Human MYST histone acetyltransferase 1 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Histone acetyltransferase KAT8, ... | Authors: | Dong, A, Zeng, H, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Zheng, Y.G, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2017-06-30 | Release date: | 2017-07-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Human MYST histone acetyltransferase 1 to be published
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4R0C
| Crystal structure of the Alcanivorax borkumensis YdaH transporter reveals an unusual topology | Descriptor: | AbgT putative transporter family, DODECYL-BETA-D-MALTOSIDE, SODIUM ION, ... | Authors: | Su, C.-C, Bolla, J.R, Yu, E.W. | Deposit date: | 2014-07-30 | Release date: | 2015-04-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.963 Å) | Cite: | Crystal structure of the Alcanivorax borkumensis YdaH transporter reveals an unusual topology. Nat Commun, 6, 2015
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5NMR
| Monomeric mouse Sortilin extracellular domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Leloup, N.O.L, Loessl, P, Meijer, D.H.M, Heck, A.J.R, Thies-Weesie, D.M.E, Janssen, B.J.C. | Deposit date: | 2017-04-07 | Release date: | 2017-12-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Low pH-induced conformational change and dimerization of sortilin triggers endocytosed ligand release. Nat Commun, 8, 2017
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5WKS
| Crystal structure of chalcone isomerase engineered from ancestral inference complexed with naringenin (ancR1) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Engineered Chalcone Isomerase ancR1, FORMIC ACID, ... | Authors: | Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P. | Deposit date: | 2017-07-25 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Evolution of chalcone isomerase from a noncatalytic ancestor. Nat. Chem. Biol., 14, 2018
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8OSP
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