6E6N
 
 | | Pheromone from Euplotes raikovi, Er-13 | | Descriptor: | Pheromone from Euplotes raikovi Er-13 | | Authors: | Finke, A.D, Marsh, M.E. | | Deposit date: | 2018-07-25 | | Release date: | 2019-08-07 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.363 Å) | | Cite: | Ab initio crystal structure determination of Euplotes raikovi pheromones from high-resolution data
To Be Published
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6E6O
 | | Pheromone from Euplotes raikovi, Er-1 | | Descriptor: | Mating pheromone Er-1/Er-3 | | Authors: | Finke, A.D, Marsh, M.E. | | Deposit date: | 2018-07-25 | | Release date: | 2019-08-07 | | Method: | X-RAY DIFFRACTION (0.7 Å) | | Cite: | Ab initio crystal structure determination of Euplotes raikovi pheromones from high-resolution data
To Be Published
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7QDQ
 | | Crystal Structure of HDM2 in complex with Caylin-1 | | Descriptor: | CHLORIDE ION, Caylin-1, DIMETHYL SULFOXIDE, ... | | Authors: | Finke, A.D, Walti, M.A, Marsh, M.E, Orts, J. | | Deposit date: | 2021-11-29 | | Release date: | 2022-10-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Elucidation of a nutlin-derivative-HDM2 complex structure at the interaction site by NMR molecular replacement: A straightforward derivation
J Magn Reson Open, 10-11, 2022
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5CSE
 | | Streptavidin-S112Y-K121E Complexed with Palladium-Containing Biotin Ligand | | Descriptor: | CHLORIDE ION, Streptavidin, chloro{di-tert-butyl[2-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]-lambda~5~-phosphanyl}(1-phenylprop-1-ene-1,3-diyl-kappa~2~C~1~,C~3~)palladium | | Authors: | Finke, A.D, Vera, L, Marsh, M, Chatterjee, A, Ward, T.R. | | Deposit date: | 2015-07-23 | | Release date: | 2015-11-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.792 Å) | | Cite: | An enantioselective artificial Suzukiase based on the biotin-streptavidin technology.
Chem Sci, 7, 2016
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6M9B
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6N00
 | | Fluoroacetate dehalogenase, room temperature structure, using last 1 degree of total 3 degree oscillation and 144 kGy dose | | Descriptor: | CALCIUM ION, Fluoroacetate dehalogenase | | Authors: | Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D. | | Deposit date: | 2018-11-06 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Fixed-target serial oscillation crystallography at room temperature.
IUCrJ, 6, 2019
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6MZZ
 | | Fluoroacetate dehalogenase, room temperature structure, using first 1 degree of total 3 degree oscillation | | Descriptor: | CALCIUM ION, Fluoroacetate dehalogenase | | Authors: | Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D. | | Deposit date: | 2018-11-06 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Fixed-target serial oscillation crystallography at room temperature.
IUCrJ, 6, 2019
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6N03
 | | CO-bound Sperm Whale Myoglobin, room temperature structure, last 2 degrees of 5 degree total oscillation and 160 kGy dose | | Descriptor: | CARBON MONOXIDE, Myoglobin, CO-bound, ... | | Authors: | Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D. | | Deposit date: | 2018-11-06 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Fixed-target serial oscillation crystallography at room temperature.
IUCrJ, 6, 2019
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6MV0
 | | CO-bound Sperm Whale Myoglobin, room temperature structure solved by serial 5degree oscillation crystallography | | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D. | | Deposit date: | 2018-10-24 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Fixed-target serial oscillation crystallography at room temperature.
IUCrJ, 6, 2019
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6N02
 | | CO-bound Sperm Whale Myoglobin, room temperature structure, first 2 degrees of 5 degree total oscillation | | Descriptor: | CARBON MONOXIDE, Myoglobin, CO-bound, ... | | Authors: | Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D. | | Deposit date: | 2018-11-06 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Fixed-target serial oscillation crystallography at room temperature.
IUCrJ, 6, 2019
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6MUZ
 | | Lysozyme, room temperature structure solved by serial 3 degree oscillation crystallography | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Kriksunov, I, Gruner, S.M, Miller, R.J.D. | | Deposit date: | 2018-10-24 | | Release date: | 2019-03-27 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.839 Å) | | Cite: | Fixed-target serial oscillation crystallography at room temperature.
IUCrJ, 6, 2019
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6MUY
 | | Fluoroacetate dehalogenase, room temperature structure solved by serial 3 degree oscillation crystallography | | Descriptor: | CALCIUM ION, Fluoroacetate dehalogenase | | Authors: | Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D. | | Deposit date: | 2018-10-24 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Fixed-target serial oscillation crystallography at room temperature.
IUCrJ, 6, 2019
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6MUH
 | | Fluoroacetate dehalogenase, room temperature structure solved by serial 1 degree oscillation crystallography | | Descriptor: | Fluoroacetate dehalogenase | | Authors: | Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D. | | Deposit date: | 2018-10-23 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Fixed-target serial oscillation crystallography at room temperature.
IUCrJ, 6, 2019
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3B3A
 | | Structure of E163K/R145E DJ-1 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Protein DJ-1 | | Authors: | Lakshminarasimhan, M, Maldonado, M.T, Zhou, W, Fink, A.L, Wilson, M.A. | | Deposit date: | 2007-10-19 | | Release date: | 2008-01-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural Impact of Three Parkinsonism-Associated Missense Mutations on Human DJ-1.
Biochemistry, 47, 2008
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6GZH
 | | Crystal Structure of Human CDK9/cyclinT1 with A86 | | Descriptor: | Cyclin-T1, Cyclin-dependent kinase 9, GLYCEROL, ... | | Authors: | Ben-neriah, Y, Venkatachalam, A, Minzel, W, Fink, A, Snir-Alkalay, I, Vacca, J. | | Deposit date: | 2018-07-04 | | Release date: | 2018-08-29 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.17 Å) | | Cite: | Small Molecules Co-targeting CKI alpha and the Transcriptional Kinases CDK7/9 Control AML in Preclinical Models.
Cell, 175, 2018
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3B38
 | | Structure of A104V DJ-1 | | Descriptor: | 1,2-ETHANEDIOL, Protein DJ-1 | | Authors: | Lakshminarasimhan, M, Maldonado, M.T, Zhou, W, Fink, A.L, Wilson, M.A. | | Deposit date: | 2007-10-19 | | Release date: | 2008-01-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural Impact of Three Parkinsonism-Associated Missense Mutations on Human DJ-1.
Biochemistry, 47, 2008
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6GZM
 | | Crystal Structure of Human CKIdelta with A86 | | Descriptor: | CITRIC ACID, Casein kinase I isoform delta, GLYCEROL, ... | | Authors: | Ben-neriah, Y, Venkatachalam, A, Minzel, W, Fink, A, Snir-Alkalay, I, Vacca, J. | | Deposit date: | 2018-07-04 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Small Molecules Co-targeting CKI alpha and the Transcriptional Kinases CDK7/9 Control AML in Preclinical Models.
Cell, 175, 2018
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3B36
 | | Structure of M26L DJ-1 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Protein DJ-1 | | Authors: | Lakshminarasimhan, M, Maldonado, M.T, Zhou, W, Fink, A.L, Wilson, M.A. | | Deposit date: | 2007-10-19 | | Release date: | 2008-01-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural Impact of Three Parkinsonism-Associated Missense Mutations on Human DJ-1.
Biochemistry, 47, 2008
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6GZD
 | | Crystal structure of Human CSNK1A1 with A86 | | Descriptor: | 1,2-ETHANEDIOL, 3,3',3''-phosphanetriyltripropanoic acid, Casein kinase I isoform alpha, ... | | Authors: | Ben-Neriah, Y, Venkatachalam, A, Minzel, W, Fink, A, Snir-Alkalay, I, Vacca, J. | | Deposit date: | 2018-07-03 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Small Molecules Co-targeting CKI alpha and the Transcriptional Kinases CDK7/9 Control AML in Preclinical Models.
Cell, 175, 2018
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2RK4
 | | Structure of M26I DJ-1 | | Descriptor: | Protein DJ-1 | | Authors: | Lakshminarasimhan, M, Maldonado, M.T, Zhou, W, Fink, A.L, Wilson, M.A. | | Deposit date: | 2007-10-16 | | Release date: | 2008-01-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Structural Impact of Three Parkinsonism-Associated Missense Mutations on Human DJ-1.
Biochemistry, 47, 2008
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2RK3
 | | Structure of A104T DJ-1 | | Descriptor: | Protein DJ-1 | | Authors: | Lakshminarasimhan, M, Maldonado, M.T, Zhou, W, Fink, A.L, Wilson, M.A. | | Deposit date: | 2007-10-16 | | Release date: | 2008-01-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Structural Impact of Three Parkinsonism-Associated Missense Mutations on Human DJ-1.
Biochemistry, 47, 2008
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2RK6
 | | Structure of E163K DJ-1 | | Descriptor: | Protein DJ-1 | | Authors: | Lakshminarasimhan, M, Maldonado, M.T, Zhou, W, Fink, A.L, Wilson, M.A. | | Deposit date: | 2007-10-16 | | Release date: | 2008-01-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Structural Impact of Three Parkinsonism-Associated Missense Mutations on Human DJ-1.
Biochemistry, 47, 2008
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2CCS
 | | HUMAN HSP90 WITH 4-CHLORO-6-(4-PIPERAZIN-1-YL-1H-PYRAZOL-3-YL)- BENZENE-1,2-DIOL | | Descriptor: | 4-CHLORO-6-(4-PIPERAZIN-1-YL-1H-PYRAZOL-5-YL)BENZENE-1,3-DIOL, HEAT SHOCK PROTEIN HSP-90 ALPHA | | Authors: | Barril, X, Beswick, M.C, Collier, A, Drysdale, M.J, Dymock, B.W, Fink, A, Grant, K, Howes, R, Jordan, A.M, Massey, A, Surgenor, A, Wayne, J, Workman, P, Wright, L. | | Deposit date: | 2006-01-18 | | Release date: | 2006-02-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | 4-Amino derivatives of the Hsp90 inhibitor CCT018159.
Bioorg. Med. Chem. Lett., 16, 2006
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2CCT
 | | HUMAN HSP90 WITH 5-(5-CHLORO-2,4-DIHYDROXY-PHENYL)-4-PIPERAZIN-1-YL- 2H-PYRAZOLE-3-CARBOXYLIC ACID ETHYLAMIDE | | Descriptor: | 5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-PIPERAZIN-1-YL-1H-PYRAZOLE-3-CARBOXAMIDE, HEAT SHOCK PROTEIN HSP-90 ALPHA | | Authors: | Barril, X, Beswick, M.C, Collier, A, Drysdale, M.J, Dymock, B.W, Fink, A, Grant, K, Howes, R, Jordan, A.M, Massey, A, Surgenor, A, Wayne, J, Workman, P, Wright, L. | | Deposit date: | 2006-01-18 | | Release date: | 2006-02-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 4-Amino derivatives of the Hsp90 inhibitor CCT018159.
Bioorg. Med. Chem. Lett., 16, 2006
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2CCU
 | | HUMAN HSP90 WITH 4-CHLORO-6-(4-(4-(4-METHANESULPHONYL-BENZYL)- PIERAZIN-1-YL)-1H-PYRAZOL-3-YL)-BENZENE-1,3-DIOL | | Descriptor: | 4-CHLORO-6-(4-{4-[4-(METHYLSULFONYL)BENZYL]PIPERAZIN-1-YL}-1H-PYRAZOL-5-YL)BENZENE-1,3-DIOL, HEAT SHOCK PROTEIN HSP-90 ALPHA | | Authors: | Barril, X, Beswick, M.C, Collier, A, Drysdale, M.J, Dymock, B.W, Fink, A, Grant, K, Howes, R, Jordan, A.M, Massey, A, Surgenor, A, Wayne, J, Workman, P, Wright, L. | | Deposit date: | 2006-01-18 | | Release date: | 2006-02-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | 4-Amino derivatives of the Hsp90 inhibitor CCT018159.
Bioorg. Med. Chem. Lett., 16, 2006
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