8C1F
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![BU of 8c1f by Molmil](/molmil-images/mine/8c1f) | Aurora A kinase in complex with TPX2-inhibitor 6 | Descriptor: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-~{N}-cyclopropylsulfonyl-7-methyl-1~{H}-indole-6-carboxamide, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | Deposit date: | 2022-12-20 | Release date: | 2024-01-10 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (1.924 Å) | Cite: | Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents. J.Med.Chem., 2024
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8C1K
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![BU of 8c1k by Molmil](/molmil-images/mine/8c1k) | Aurora A kinase in complex with TPX2-inhibitor CAM2602 | Descriptor: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chloranyl-3-pyridin-2-yloxy-phenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ... | Authors: | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | Deposit date: | 2022-12-20 | Release date: | 2024-01-10 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents. J.Med.Chem., 2024
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6EZC
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![BU of 6ezc by Molmil](/molmil-images/mine/6ezc) | Crystal Structure of human tRNA-dihydrouridine(20) synthase catalytic domain E294K Q305K double mutant | Descriptor: | CHLORIDE ION, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | Authors: | Bou-Nader, C, Bregeon, D, Vincent, G, Fontecave, M, Hamdane, D. | Deposit date: | 2017-11-14 | Release date: | 2018-09-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Electrostatic Potential in the tRNA Binding Evolution of Dihydrouridine Synthases. Biochemistry, 57, 2018
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8C1G
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![BU of 8c1g by Molmil](/molmil-images/mine/8c1g) | Aurora A kinase in complex with TPX2-inhibitor 7 | Descriptor: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ... | Authors: | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | Deposit date: | 2022-12-20 | Release date: | 2024-01-10 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents. J.Med.Chem., 2024
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6V3P
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3ISC
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![BU of 3isc by Molmil](/molmil-images/mine/3isc) | Binary complex of human DNA polymerase beta with an abasic site (THF) in the gapped DNA | Descriptor: | 5'-D(*CP*CP*GP*AP*CP*(3DR)P*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... | Authors: | Beard, W.A, Shock, D.D, Batra, V.K, Pedersen, L.C, Wilson, S.H. | Deposit date: | 2009-08-25 | Release date: | 2009-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | DNA polymerase beta substrate specificity: side chain modulation of the "A-rule". J.Biol.Chem., 284, 2009
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6MJY
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7KUZ
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![BU of 7kuz by Molmil](/molmil-images/mine/7kuz) | |
7F55
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![BU of 7f55 by Molmil](/molmil-images/mine/7f55) | Cryo-EM structure of bremelanotide-MC4R-Gs_Nb35 complex | Descriptor: | CALCIUM ION, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Zhang, H, Chen, L, Mao, C, Shen, Q, Yang, D, Shen, D, Qin, J. | Deposit date: | 2021-06-21 | Release date: | 2021-11-03 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural insights into ligand recognition and activation of the melanocortin-4 receptor. Cell Res., 31, 2021
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7F54
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![BU of 7f54 by Molmil](/molmil-images/mine/7f54) | Cryo-EM structure of afamelanotide-MC4R-Gs_Nb35 complex | Descriptor: | CALCIUM ION, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Zhang, H, Chen, L, Mao, C, Shen, Q, Yang, D, Shen, D, Qin, J. | Deposit date: | 2021-06-21 | Release date: | 2021-11-03 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural insights into ligand recognition and activation of the melanocortin-4 receptor. Cell Res., 31, 2021
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8PEI
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![BU of 8pei by Molmil](/molmil-images/mine/8pei) | Crystal structure of the biphotochromic fluorescent protein SAASoti (C21N/V127T variant) in its green on-state | Descriptor: | C21N/V127T form of the biphotochromic fluorescent protein SAASoti | Authors: | Boyko, K.M, Varfolomeeva, L.A, Matyuta, I.O, Gavshina, A.V, Solovyev, I.D, Popov, V.O, Savitsky, A.P. | Deposit date: | 2023-06-14 | Release date: | 2024-01-17 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The role of the correlated motion(s) of the chromophore in photoswitching of green and red forms of the photoconvertible fluorescent protein mSAASoti. Sci Rep, 14, 2024
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6V6K
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![BU of 6v6k by Molmil](/molmil-images/mine/6v6k) | EGFR(T790M/V948R) in complex with LN2057 | Descriptor: | CHLORIDE ION, Epidermal growth factor receptor, N-[3-({4-[4-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide | Authors: | Heppner, D.E, Eck, M.J. | Deposit date: | 2019-12-05 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Basis for EGFR Mutant Inhibition by Trisubstituted Imidazole Inhibitors. J.Med.Chem., 63, 2020
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6F77
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![BU of 6f77 by Molmil](/molmil-images/mine/6f77) | Crystal structure of the prephenate aminotransferase from Rhizobium meliloti | Descriptor: | Aspartate aminotransferase A, PYRIDOXAL-5'-PHOSPHATE | Authors: | Cobessi, D, Giustini, C, Graindorge, M, Matringe, M. | Deposit date: | 2017-12-07 | Release date: | 2019-03-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.794 Å) | Cite: | Tyrosine metabolism: identification of a key residue in the acquisition of prephenate aminotransferase activity by 1 beta aspartate aminotransferase. Febs J., 286, 2019
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5IVX
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![BU of 5ivx by Molmil](/molmil-images/mine/5ivx) | Crystal Structure of B4.2.3 T-Cell Receptor and H2-Dd P18-I10 Complex | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ... | Authors: | Natarajan, K, Jiang, J, Margulies, D. | Deposit date: | 2016-03-21 | Release date: | 2017-03-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | An allosteric site in the T-cell receptor C beta domain plays a critical signalling role. Nat Commun, 8, 2017
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8TWU
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![BU of 8twu by Molmil](/molmil-images/mine/8twu) | Crystal structure of Cytochrome P450 AspB bound to N1-methylated cyclo-L-Trp-L-Pro | Descriptor: | (3S,5S,8aS)-3-[(1-methyl-1H-indol-3-yl)methyl]hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, Cytochrome P450 AspB, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Gering, H.E, Li, X, Tang, H, Swartz, P.D, Chang, W.-C, Makris, T.M. | Deposit date: | 2023-08-21 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | A Ferric-Superoxide Intermediate Initiates P450-Catalyzed Cyclic Dipeptide Dimerization. J.Am.Chem.Soc., 145, 2023
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5TW2
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![BU of 5tw2 by Molmil](/molmil-images/mine/5tw2) | Structure of mouse CD1d with bound alpha-galactosylsphingamide JG168 | Descriptor: | (5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(6-phenylhexyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zajonc, D.M, Wang, J. | Deposit date: | 2016-11-11 | Release date: | 2017-09-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Galactosylsphingamides: new alpha-GalCer analogues to probe the F'-pocket of CD1d. Sci Rep, 7, 2017
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6MJE
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7F53
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![BU of 7f53 by Molmil](/molmil-images/mine/7f53) | Cryo-EM structure of a-MSH-MC4R-Gs_Nb35 complex | Descriptor: | CALCIUM ION, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Zhang, H, Chen, L, Mao, C, Shen, Q, Yang, D, Shen, D, Qin, J. | Deposit date: | 2021-06-21 | Release date: | 2021-11-03 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural insights into ligand recognition and activation of the melanocortin-4 receptor. Cell Res., 31, 2021
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5MP7
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![BU of 5mp7 by Molmil](/molmil-images/mine/5mp7) | Crystal structure of phosphoribosylpyrophosphate synthetase from Mycobacterium smegmatis | Descriptor: | ACETATE ION, Ribose-phosphate pyrophosphokinase | Authors: | Donini, S, Garavaglia, S, Ferraris, D.M, Miggiano, R, Mori, S, Shibayama, K, Rizzi, M. | Deposit date: | 2016-12-16 | Release date: | 2017-04-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Biochemical and structural investigations on phosphoribosylpyrophosphate synthetase from Mycobacterium smegmatis. PLoS ONE, 12, 2017
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6VB0
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6B2Y
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![BU of 6b2y by Molmil](/molmil-images/mine/6b2y) | Apo YiuA Crystal Form 2 | Descriptor: | SODIUM ION, Solute-binding periplasmic protein of iron/siderophore ABC transporter | Authors: | Radka, C.D, DeLucas, L.J, Aller, S.G. | Deposit date: | 2017-09-20 | Release date: | 2017-11-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | The crystal structure of the Yersinia pestis iron chaperone YiuA reveals a basic triad binding motif for the chelated metal. Acta Crystallogr D Struct Biol, 73, 2017
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6VB3
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6VB2
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6VB5
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7T5V
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![BU of 7t5v by Molmil](/molmil-images/mine/7t5v) | |