5CSE
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![BU of 5cse by Molmil](/molmil-images/mine/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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7QDQ
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![BU of 7qdq by Molmil](/molmil-images/mine/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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6M9B
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![BU of 6m9b by Molmil](/molmil-images/mine/6m9b) | |
6MUZ
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![BU of 6muz by Molmil](/molmil-images/mine/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: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.839 Å) | Cite: | Fixed-target serial oscillation crystallography at room temperature. IUCrJ, 6, 2019
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6MUY
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![BU of 6muy by Molmil](/molmil-images/mine/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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6MV0
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![BU of 6mv0 by Molmil](/molmil-images/mine/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
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![BU of 6n02 by Molmil](/molmil-images/mine/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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6MUH
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![BU of 6muh by Molmil](/molmil-images/mine/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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6E6N
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![BU of 6e6n by Molmil](/molmil-images/mine/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 | 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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6N00
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![BU of 6n00 by Molmil](/molmil-images/mine/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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6N03
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![BU of 6n03 by Molmil](/molmil-images/mine/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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6MZZ
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![BU of 6mzz by Molmil](/molmil-images/mine/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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6E6O
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![BU of 6e6o by Molmil](/molmil-images/mine/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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2RK4
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![BU of 2rk4 by Molmil](/molmil-images/mine/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
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![BU of 2rk3 by Molmil](/molmil-images/mine/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
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![BU of 2rk6 by Molmil](/molmil-images/mine/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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2VCI
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![BU of 2vci by Molmil](/molmil-images/mine/2vci) | 4,5 Diaryl Isoxazole Hsp90 Chaperone Inhibitors: Potential Therapeutic Agents for the Treatment of Cancer | Descriptor: | 5-[2,4-DIHYDROXY-5-(1-METHYLETHYL)PHENYL]-N-ETHYL-4-[4-(MORPHOLIN-4-YLMETHYL)PHENYL]ISOXAZOLE-3-CARBOXAMIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Brough, P.A, Aherne, W, Barril, X, Borgognoni, J, Boxal, K, Cansfield, J.E, Cheung, K.M, Collins, I, Davies, N.G.M, Drysdale, M.J, Dymock, B, Eccles, S.A, Finch, H, Fink, A, Hayes, A, Howes, R, Hubbard, R.E, James, K, Jordan, A.M, Lockie, A, Martins, V, Massey, A, Matthews, T.P, McDonald, E, Northfield, C.J, Pearl, L.H, Prodromou, C, Ray, S, Raynaud, F.I, Roughley, S.D, Sharp, S.Y, Surgenor, A, Walmsley, D.L, Webb, P, Wood, M, Workman, P, Wright, L. | Deposit date: | 2007-09-24 | Release date: | 2007-12-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 4,5-diarylisoxazole Hsp90 chaperone inhibitors: potential therapeutic agents for the treatment of cancer. J. Med. Chem., 51, 2008
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2VCJ
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![BU of 2vcj by Molmil](/molmil-images/mine/2vcj) | 4,5 Diaryl Isoxazole Hsp90 Chaperone Inhibitors: Potential Therapeutic Agents for the Treatment of Cancer | Descriptor: | 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Brough, P.A, Aherne, W, Barril, X, Borgognoni, J, Boxal, K, Cansfield, J.E, Cheung, K.M, Collins, I, Davies, N.G.M, Drysdale, M.J, Dymock, B, Eccles, S.A, Finch, H, Fink, A, Hayes, A, Howes, R, Hubbard, R.E, James, K, Jordan, A.M, Lockie, A, Martins, V, Massey, A, Matthews, T.P, McDonald, E, Northfield, C.J, Pearl, L.H, Prodromou, C, Ray, S, Raynaud, F.I, Roughley, S.D, Sharp, S.Y, Surgenor, A, Walmsley, D.L, Webb, P, Wood, M, Workman, P, Wright, L. | Deposit date: | 2007-09-24 | Release date: | 2007-12-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 4,5-diarylisoxazole Hsp90 chaperone inhibitors: potential therapeutic agents for the treatment of cancer. J. Med. Chem., 51, 2008
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6GZD
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![BU of 6gzd by Molmil](/molmil-images/mine/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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6GZM
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![BU of 6gzm by Molmil](/molmil-images/mine/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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6GZH
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![BU of 6gzh by Molmil](/molmil-images/mine/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: | 2024-01-17 | 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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3B3A
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![BU of 3b3a by Molmil](/molmil-images/mine/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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3B38
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![BU of 3b38 by Molmil](/molmil-images/mine/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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3B36
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![BU of 3b36 by Molmil](/molmil-images/mine/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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2CCS
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![BU of 2ccs by Molmil](/molmil-images/mine/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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