5LXZ
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5NSC
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![BU of 5nsc by Molmil](/molmil-images/mine/5nsc) | Fc DEKK heterodimer variant | Descriptor: | Fc-III peptide, GLYCEROL, Putative uncharacterized protein DKFZp686C11235, ... | Authors: | De Nardis, C, Hendriks, L.J.A, Poirier, E, Arvinte, T, Gros, P, Bakker, A.B.H, de Kruif, J. | Deposit date: | 2017-04-26 | Release date: | 2017-07-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A new approach for generating bispecific antibodies based on a common light chain format and the stable architecture of human immunoglobulin G1. J. Biol. Chem., 292, 2017
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5O10
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![BU of 5o10 by Molmil](/molmil-images/mine/5o10) | Y48H mutant of human cytochrome c | Descriptor: | Cytochrome c, HEME C | Authors: | Moreno-Chicano, T, Deacon, O.M, Hough, M.A, Worrall, J.A.R. | Deposit date: | 2017-05-17 | Release date: | 2018-03-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Heightened Dynamics of the Oxidized Y48H Variant of Human Cytochrome c Increases Its Peroxidatic Activity. Biochemistry, 56, 2017
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5WBP
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5WBM
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5WBR
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![BU of 5wbr by Molmil](/molmil-images/mine/5wbr) | Structure of human Ketohexokinase complexed with hits from fragment screening | Descriptor: | 6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, CITRIC ACID, GLYCEROL, ... | Authors: | Pandit, J. | Deposit date: | 2017-06-29 | Release date: | 2017-09-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK). J. Med. Chem., 60, 2017
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5WBQ
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![BU of 5wbq by Molmil](/molmil-images/mine/5wbq) | Structure of human Ketohexokinase complexed with hits from fragment screening | Descriptor: | 2-ethyl-7-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile, CHLORIDE ION, Ketohexokinase, ... | Authors: | Pandit, J. | Deposit date: | 2017-06-29 | Release date: | 2017-09-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK). J. Med. Chem., 60, 2017
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5WBO
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5WBZ
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![BU of 5wbz by Molmil](/molmil-images/mine/5wbz) | Structure of human Ketohexokinase complexed with hits from fragment screening | Descriptor: | 6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, CITRIC ACID, Ketohexokinase, ... | Authors: | Pandit, J. | Deposit date: | 2017-06-29 | Release date: | 2017-09-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK). J. Med. Chem., 60, 2017
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8YBE
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![BU of 8ybe by Molmil](/molmil-images/mine/8ybe) | Cryo-EM structure of Maltose Binding Protein | Descriptor: | Maltose/maltodextrin-binding periplasmic protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Yoo, Y, Park, K, Kim, H. | Deposit date: | 2024-02-13 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Atomic resolution structure of MBP using Cryo-EM To Be Published
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6W0X
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2UAG
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![BU of 2uag by Molmil](/molmil-images/mine/2uag) | UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PROTEIN (UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE), ... | Authors: | Bertrand, J, Fanchon, E, Dideberg, O. | Deposit date: | 1999-02-23 | Release date: | 2000-02-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Determination of the MurD mechanism through crystallographic analysis of enzyme complexes. J.Mol.Biol., 289, 1999
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7T79
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7T78
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8IDC
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8IGQ
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![BU of 8igq by Molmil](/molmil-images/mine/8igq) | Cryo-EM structure of Mycobacterium tuberculosis ADP bound FtsEX/RipC complex in peptidisc | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cell division ATP-binding protein FtsE, Cell division protein FtsX, ... | Authors: | Li, J, Xu, X, Luo, M. | Deposit date: | 2023-02-21 | Release date: | 2023-10-04 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (5.7 Å) | Cite: | Regulation of the cell division hydrolase RipC by the FtsEX system in Mycobacterium tuberculosis. Nat Commun, 14, 2023
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8IDD
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![BU of 8idd by Molmil](/molmil-images/mine/8idd) | Cryo-EM structure of Mycobacterium tuberculosis ATP bound FtsEX/RipC complex in peptidisc | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cell division ATP-binding protein FtsE, Cell division protein FtsX, ... | Authors: | Li, J, Xu, X, Luo, M. | Deposit date: | 2023-02-12 | Release date: | 2023-10-04 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Regulation of the cell division hydrolase RipC by the FtsEX system in Mycobacterium tuberculosis. Nat Commun, 14, 2023
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8IDB
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5OAB
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![BU of 5oab by Molmil](/molmil-images/mine/5oab) | A novel crystal form of human RNase6 at atomic resolution | Descriptor: | CHLORIDE ION, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | Prats-Ejarque, G, Moussaoui, M, Boix, E. | Deposit date: | 2017-06-21 | Release date: | 2018-08-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.111 Å) | Cite: | Characterization of an RNase with two catalytic centers. Human RNase6 catalytic and phosphate-binding site arrangement favors the endonuclease cleavage of polymeric substrates. Biochim Biophys Acta Gen Subj, 1863, 2019
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7NPL
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![BU of 7npl by Molmil](/molmil-images/mine/7npl) | ALPHA-1 ANTITRYPSIN (C232S) COMPLEXED WITH cmpd 11 | Descriptor: | Alpha-1-antitrypsin, GLYCEROL, N-((1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl)-2-oxoindoline-4-carboxamide | Authors: | Chung, C. | Deposit date: | 2021-02-27 | Release date: | 2021-04-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | The development of highly potent and selective small molecule correctors of Z alpha 1 -antitrypsin misfolding. Bioorg.Med.Chem.Lett., 41, 2021
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7NPK
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![BU of 7npk by Molmil](/molmil-images/mine/7npk) | ALPHA-1 ANTITRYPSIN C232S COMPLEXED WITH CMPD3 | Descriptor: | Alpha-1-antitrypsin, GLYCEROL, N-((1S,2R)-1-hydroxy-1-(o-tolyl)pentan-2-yl)-2-oxo-2,3-dihydrobenzo[d]oxazole-5-carboxamide | Authors: | Chung, C. | Deposit date: | 2021-02-27 | Release date: | 2021-04-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | The development of highly potent and selective small molecule correctors of Z alpha 1 -antitrypsin misfolding. Bioorg.Med.Chem.Lett., 41, 2021
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7OC9
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7NXJ
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![BU of 7nxj by Molmil](/molmil-images/mine/7nxj) | Crystal structure of human Cdk13/Cyclin K in complex with the inhibitor THZ531 | Descriptor: | Cyclin-K, Cyclin-dependent kinase 13, N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide | Authors: | Anand, K, Greifenberg, A.K, Kaltheuner, I.H, Geyer, M. | Deposit date: | 2021-03-18 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma. Eur.J.Med.Chem., 221, 2021
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7NXK
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![BU of 7nxk by Molmil](/molmil-images/mine/7nxk) | Crystal structure of human Cdk12/Cyclin K in complex with the inhibitor BSJ-01-175 | Descriptor: | (E)-N-[4-[(1R,3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyphenyl]-4-(dimethylamino)but-2-enamide, Cyclin-K, Cyclin-dependent kinase 12 | Authors: | Anand, K, Dust, S, Kaltheuner, I.H, Geyer, M. | Deposit date: | 2021-03-18 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma. Eur.J.Med.Chem., 221, 2021
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4PUZ
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