8C15
 
 | | Aurora A kinase in complex with TPX2-inhibitor 3 | | Descriptor: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-1~{H}-indole-6-carboxylic acid, 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: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 67, 2024
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8C1E
 | | Aurora A kinase in complex with TPX2-inhibitor 9 | | Descriptor: | 4-(4-chloranyl-3-cyano-phenyl)-7-methyl-1~{H}-indole-6-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ... | | 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: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (2.798 Å) | | Cite: | Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 67, 2024
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8C1I
 | | Aurora A kinase in complex with TPX2-inhibitor 10 | | Descriptor: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chloranyl-3-pyridin-2-yloxy-phenyl)-~{N}-cyclopropylsulfonyl-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: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 67, 2024
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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: | 2024-09-25 | | 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., 67, 2024
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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: | 2024-09-25 | | 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., 67, 2024
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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: | 2024-09-25 | | 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., 67, 2024
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3IYP
 | | The Interaction of Decay-accelerating Factor with Echovirus 7 | | Descriptor: | Capsid protein, Complement decay-accelerating factor, LAURIC ACID, ... | | Authors: | Plevka, P, Hafenstein, S, Zhang, Y, Harris, K.G, Cifuente, J.O, Bowman, V.D, Chipman, P.R, Lin, F, Medof, D.E, Bator, C.M, Rossmann, M.G. | | Deposit date: | 2010-04-07 | | Release date: | 2010-11-24 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (7.2 Å) | | Cite: | Interaction of decay-accelerating factor with echovirus 7.
J.Virol., 84, 2010
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5L1P
 | | X-ray Structure of Cytochrome P450 PntM with Pentalenolactone | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase, pentalenolactone | | Authors: | Duan, L, Jogl, G, Cane, D.E. | | Deposit date: | 2016-07-29 | | Release date: | 2016-09-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism.
J.Am.Chem.Soc., 138, 2016
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4PPD
 | | PduA K26A, crystal form 2 | | Descriptor: | GLYCEROL, Propanediol utilization protein PduA, SULFATE ION | | Authors: | McNamara, D.E, Sawaya, M.R, Bobik, T.A, Yeates, T.O. | | Deposit date: | 2014-02-26 | | Release date: | 2014-05-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Alanine scanning mutagenesis identifies an asparagine-arginine-lysine triad essential to assembly of the shell of the pdu microcompartment.
J.Mol.Biol., 426, 2014
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6WRO
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3I2T
 | | Crystal structure of the unliganded Drosophila Epidermal Growth Factor Receptor ectodomain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor receptor, ... | | Authors: | Alvarado, D, Klein, D.E, Lemmon, M.A. | | Deposit date: | 2009-06-29 | | Release date: | 2009-09-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | ErbB2 resembles an autoinhibited invertebrate epidermal growth factor receptor.
Nature, 461, 2009
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8DDG
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8DDH
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6WXN
 | | EGFR(T790M/V948R) in complex with LN3844 | | Descriptor: | CHLORIDE ION, Epidermal growth factor receptor, MAGNESIUM ION, ... | | Authors: | Heppner, D.E, Eck, M.J. | | Deposit date: | 2020-05-11 | | Release date: | 2021-05-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Design of a "Two-in-One" Mutant-Selective Epidermal Growth Factor Receptor Inhibitor That Spans the Orthosteric and Allosteric Sites.
J.Med.Chem., 65, 2022
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8DDF
 | | Quasi-racemic mixture of L-FWF and D-FYF peptide reveals rippled beta-sheet | | Descriptor: | 1,1,1,3,3,3-hexafluoropropan-2-ol, DPN-DTY-DPN, PHE-TRP-PHE | | Authors: | Sawaya, M.R, Hazari, A, Eisenberg, D.E. | | Deposit date: | 2022-06-18 | | Release date: | 2022-09-28 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | The rippled beta-sheet layer configuration-a novel supramolecular architecture based on predictions by Pauling and Corey.
Chem Sci, 13, 2022
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4NHQ
 | | X-ray structure of the complex between hen egg white lysozyme and pentachlorocarbonyliridate(III) (5 days) | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | | Authors: | Petruk, A.A, Bikiel, D.E, Vergara, A, Merlino, A. | | Deposit date: | 2013-11-05 | | Release date: | 2014-09-17 | | Last modified: | 2015-06-24 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Interaction between proteins and Ir based CO releasing molecules: mechanism of adduct formation and CO release.
Inorg.Chem., 53, 2014
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4NWQ
 | | Computationally Designed Two-Component Self-Assembling Tetrahedral Cage, T33-21, Crystallized in Space Group F4132 | | Descriptor: | Putative uncharacterized protein PH0671, SULFATE ION, Uncharacterized protein | | Authors: | McNamara, D.E, King, N.P, Bale, J.B, Sheffler, W, Baker, D, Yeates, T.O. | | Deposit date: | 2013-12-06 | | Release date: | 2014-05-28 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Accurate design of co-assembling multi-component protein nanomaterials.
Nature, 510, 2014
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5K8J
 | | Structure of Caulobacter crescentus VapBC1 (apo form) | | Descriptor: | GLYCEROL, Ribonuclease VapC, VapB family protein | | Authors: | Bendtsen, K.L, Xu, K, Luckmann, M, Brodersen, D.E. | | Deposit date: | 2016-05-30 | | Release date: | 2016-12-28 | | Last modified: | 2018-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Toxin inhibition in C. crescentus VapBC1 is mediated by a flexible pseudo-palindromic protein motif and modulated by DNA binding.
Nucleic Acids Res., 45, 2017
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5L1O
 | | X-ray Structure of Cytochrome P450 PntM with Pentalenolactone F | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase, pentalenolactone F | | Authors: | Duan, L, Jogl, G, Cane, D.E. | | Deposit date: | 2016-07-29 | | Release date: | 2016-09-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism.
J.Am.Chem.Soc., 138, 2016
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5L1Q
 | | X-ray Structure of Cytochrome P450 PntM with Dihydropentalenolactone F | | Descriptor: | Dihydropentalenolactone F, PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase | | Authors: | Duan, L, Jogl, G, Cane, D.E. | | Deposit date: | 2016-07-29 | | Release date: | 2016-09-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism.
J.Am.Chem.Soc., 138, 2016
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3H42
 | | Crystal structure of PCSK9 in complex with Fab from LDLR competitive antibody | | Descriptor: | Fab from LDLR competitive antibody: Heavy chain, Fab from LDLR competitive antibody: Light chain, Proprotein convertase subtilisin/kexin type 9, ... | | Authors: | Piper, D.E, Walker, N.P.C, Romanow, W.G, Thibault, S.T, Tsai, M.M, Yang, E. | | Deposit date: | 2009-04-17 | | Release date: | 2009-05-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | From the Cover: A proprotein convertase subtilisin/kexin type 9 neutralizing antibody reduces serum cholesterol in mice and nonhuman primates.
Proc.Natl.Acad.Sci.USA, 106, 2009
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5L1S
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5L1W
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4P2S
 | | Alanine Scanning Mutagenesis Identifies an Asparagine-Arginine-Lysine Triad Essential to Assembly of the Shell of the Pdu Microcompartment | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Putative propanediol utilization protein PduA, ... | | Authors: | Sinha, S, Cheng, S, Sung, Y.W, McNamara, D.E, Sawaya, M.R, Yeates, T.O, Bobik, T.A. | | Deposit date: | 2014-03-03 | | Release date: | 2014-05-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Alanine Scanning Mutagenesis Identifies an Asparagine-Arginine-Lysine Triad Essential to Assembly of the Shell of the Pdu Microcompartment.
J.Mol.Biol., 426, 2014
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5L1V
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