5Z7Y
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![BU of 5z7y by Molmil](/molmil-images/mine/5z7y) | Crystal structure of Striga hermonthica HTL7 (ShHTL7) | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, Hyposensitive to light 7, ... | Authors: | Xu, Y, Miyakawa, T, Nakamura, A, Tanokura, M. | Deposit date: | 2018-01-30 | Release date: | 2018-08-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural analysis of HTL and D14 proteins reveals the basis for ligand selectivity in Striga. Nat Commun, 9, 2018
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8OPH
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5ZEU
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![BU of 5zeu by Molmil](/molmil-images/mine/5zeu) | M. smegmatis P/P state 30S ribosomal subunit | Descriptor: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Mishra, S, Ahmed, T, Tyagi, A, Shi, J, Bhushan, S. | Deposit date: | 2018-02-28 | Release date: | 2018-09-26 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structures of Mycobacterium smegmatis 70S ribosomes in complex with HPF, tmRNA, and P-tRNA. Sci Rep, 8, 2018
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4CWQ
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![BU of 4cwq by Molmil](/molmil-images/mine/4cwq) | Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor | Descriptor: | 2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazoline-8-sulfonamide, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F. | Deposit date: | 2014-04-03 | Release date: | 2014-07-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors. Bioorg.Med.Chem., 22, 2014
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8OFC
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![BU of 8ofc by Molmil](/molmil-images/mine/8ofc) | Structure of an i-motif domain with the cytosine analog 1,3-diaza-2-oxophenoxacione (tC) at neutral pH | Descriptor: | DNA (5'-D(*CP*(YCO)P*GP*TP*TP*CP*(DNR)P*GP*TP*TP*TP*TP*TP*CP*CP*GP*TP*TP*CP*(DNR)P*GP*T)-3') | Authors: | Mir, B, Serrano-Chacon, I, Terrazas, M, Gandioso, A, Garavis, M, Orozco, M, Escaja, N, Gonzalez, C. | Deposit date: | 2023-03-15 | Release date: | 2024-02-07 | Last modified: | 2024-04-24 | Method: | SOLUTION NMR | Cite: | Site-specific incorporation of a fluorescent nucleobase analog enhances i-motif stability and allows monitoring of i-motif folding inside cells. Nucleic Acids Res., 52, 2024
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4CT3
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![BU of 4ct3 by Molmil](/molmil-images/mine/4ct3) | Methylmercury chloride derivative structure of the lytic CHAPK domain of the endolysin LysK from Staphylococcus aureus bacteriophage K | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Sanz-Gaitero, M, Keary, R, Garcia-Doval, C, Coffey, A, van Raaij, M.J. | Deposit date: | 2014-03-12 | Release date: | 2014-08-06 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Crystal structure of the lytic CHAP(K) domain of the endolysin LysK from Staphylococcus aureus bacteriophage K. Virol. J., 11, 2014
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6THZ
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![BU of 6thz by Molmil](/molmil-images/mine/6thz) | IRAK4 IN COMPLEX WITH inhibitor | Descriptor: | 7-fluoranyl-~{N}-[1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]-4-(1-methylcyclopropyl)oxy-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine, Interleukin-1 receptor-associated kinase 4 | Authors: | Xue, Y, Aagaard, A, Degorce, S.L. | Deposit date: | 2019-11-21 | Release date: | 2020-10-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Improving metabolic stability and removing aldehyde oxidase liability in a 5-azaquinazoline series of IRAK4 inhibitors. Bioorg.Med.Chem., 28, 2020
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8OKX
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![BU of 8okx by Molmil](/molmil-images/mine/8okx) | Structure of cGAS in complex with SPSB3-ELOBC | Descriptor: | Cyclic GMP-AMP synthase, Elongin-B, Elongin-C, ... | Authors: | Xu, P.B, Ablasser, A. | Deposit date: | 2023-03-29 | Release date: | 2024-02-14 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.51 Å) | Cite: | The CRL5-SPSB3 ubiquitin ligase targets nuclear cGAS for degradation. Nature, 627, 2024
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5ZJT
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![BU of 5zjt by Molmil](/molmil-images/mine/5zjt) | Structure of AbdB/Exd complex bound to a 'Black14' DNA sequence | Descriptor: | DNA (5'-D(*GP*CP*AP*TP*GP*AP*TP*AP*AP*AP*TP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*AP*TP*TP*TP*AP*TP*CP*AP*TP*GP*C)-3'), Homeobox protein abdominal-B, ... | Authors: | Zeiske, T, Baburajendran, N, Kaczynska, A, Mann, R, Honig, B, Shapiro, L, Palmer, A.G. | Deposit date: | 2018-03-22 | Release date: | 2018-08-29 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Intrinsic DNA Shape Accounts for Affinity Differences between Hox-Cofactor Binding Sites. Cell Rep, 24, 2018
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6TQ5
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![BU of 6tq5 by Molmil](/molmil-images/mine/6tq5) | Alcohol dehydrogenase from Candida magnoliae DSMZ 70638 (ADHA): complex with NADP+ | Descriptor: | Enzyme subunit, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Rovida, S, Aalbers, F.S, Fraaije, M.W, Mattevi, A. | Deposit date: | 2019-12-16 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Approaching boiling point stability of an alcohol dehydrogenase through computationally-guided enzyme engineering. Elife, 9, 2020
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5ZKG
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8OPB
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5ZC9
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![BU of 5zc9 by Molmil](/molmil-images/mine/5zc9) | Crystal structure of the human eIF4A1-ATP analog-RocA-polypurine RNA complex | Descriptor: | (1R,2R,3S,3aR,8bS)-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-1,8b-bis(oxidanyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide, Eukaryotic initiation factor 4A-I, MAGNESIUM ION, ... | Authors: | Iwasaki, W, Takahashi, M, Sakamoto, A, Iwasaki, S, Ito, T. | Deposit date: | 2018-02-16 | Release date: | 2019-01-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Translation Inhibitor Rocaglamide Targets a Bimolecular Cavity between eIF4A and Polypurine RNA. Mol. Cell, 73, 2019
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8OL1
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1R78
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![BU of 1r78 by Molmil](/molmil-images/mine/1r78) | CDK2 complex with a 4-alkynyl oxindole inhibitor | Descriptor: | 4-((3R,4S,5R)-4-AMINO-3,5-DIHYDROXY-HEX-1-YNYL)-5-FLUORO-3-[1-(3-METHOXY-1H-PYRROL-2-YL)-METH-(Z)-YLIDENE]-1,3-DIHYDRO-INDOL-2-ONE, Cell division protein kinase 2 | Authors: | Luk, K.-C, Simcox, M.E, Schutt, A, Rowan, K, Thompson, T, Chen, Y, Kammlott, U, DePinto, W, Dunten, P, Dermatakis, A. | Deposit date: | 2003-10-20 | Release date: | 2004-01-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A new series of potent oxindole inhibitors of CDK2 Bioorg.Med.Chem.Lett., 14, 2004
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5YU4
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![BU of 5yu4 by Molmil](/molmil-images/mine/5yu4) | Structural basis for recognition of L-lysine, L-ornithine, and L-2,4-diamino butyric acid by lysine cyclodeaminase | Descriptor: | 2,4-DIAMINOBUTYRIC ACID, Lysine cyclodeaminase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Min, K.J, Yoon, H.J, Matsuura, A, Kim, Y.H, Lee, H.H. | Deposit date: | 2017-11-20 | Release date: | 2018-05-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.144 Å) | Cite: | Structural Basis for Recognition of L-lysine, L-ornithine, and L-2,4-diamino Butyric Acid by Lysine Cyclodeaminase. Mol. Cells, 41, 2018
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5ZQ4
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![BU of 5zq4 by Molmil](/molmil-images/mine/5zq4) | PDE-Ubi-ADPr | Descriptor: | ADENOSINE MONOPHOSPHATE, SidE, ubiquitin | Authors: | Wang, Y, Gao, A, Gao, P. | Deposit date: | 2018-04-17 | Release date: | 2018-05-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.217 Å) | Cite: | Structural Insights into Non-canonical Ubiquitination Catalyzed by SidE. Cell, 173, 2018
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5YXZ
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![BU of 5yxz by Molmil](/molmil-images/mine/5yxz) | Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI484 | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[6-chloranyl-8-fluoranyl-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GTPase KRas, ... | Authors: | Swaminathan, S, Thakur, M.K, Kandan, S, Gautam, A, Kanavalli, M, Simhadri, P, Gosu, R. | Deposit date: | 2017-12-07 | Release date: | 2018-04-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI484 To Be Published
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5YY1
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![BU of 5yy1 by Molmil](/molmil-images/mine/5yy1) | Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI739 | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[6-chloranyl-8-fluoranyl-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]propan-1-one, GTPase KRas, ... | Authors: | Swaminathan, S, Thakur, M.K, Kandan, S, Gautam, A, Kanavalli, M, Simhadri, P, Gosu, R. | Deposit date: | 2017-12-07 | Release date: | 2018-04-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI739 To Be Published
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6CJ0
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5YZN
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![BU of 5yzn by Molmil](/molmil-images/mine/5yzn) | Crystal structure of S9 peptidase (active form) from Deinococcus radiodurans R1 | Descriptor: | Acyl-peptide hydrolase, putative | Authors: | Yadav, P, Jamdar, S.N, Kumar, A, Ghosh, B, Makde, R.D. | Deposit date: | 2017-12-15 | Release date: | 2018-11-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Carboxypeptidase in prolyl oligopeptidase family: Unique enzyme activation and substrate-screening mechanisms. J.Biol.Chem., 294, 2019
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5Z0Z
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![BU of 5z0z by Molmil](/molmil-images/mine/5z0z) | Crystal structure of shaft pilin spaD from Lactobacillus rhamnosus GG - D242A mutant | Descriptor: | Pilus assembly protein | Authors: | Chaurasia, P, Pratap, S, Palva, A, von Ossowski, I, Krishnan, V. | Deposit date: | 2017-12-22 | Release date: | 2018-06-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Bent conformation of a backbone pilin N-terminal domain supports a three-stage pilus assembly mechanism. Commun Biol, 1, 2018
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2BK5
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![BU of 2bk5 by Molmil](/molmil-images/mine/2bk5) | Human Monoamine Oxidase B: I199F mutant in complex with isatin | Descriptor: | AMINE OXIDASE [FLAVIN-CONTAINING] B, FLAVIN-ADENINE DINUCLEOTIDE, ISATIN | Authors: | Binda, C, Edmondson, D.E, Mattevi, A, Hubalek, F, Khalil, A, Li, M, Castagnoli, N. | Deposit date: | 2005-02-10 | Release date: | 2005-02-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Demonstration of Isoleucine 199 as a Structural Determinant for the Selective Inhibition of Human Monoamine Oxidase B by Specific Reversible Inhibitors. J.Biol.Chem., 280, 2005
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6TLU
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![BU of 6tlu by Molmil](/molmil-images/mine/6tlu) | HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,5-DIBROMOBENZOTRIAZOLE | Descriptor: | 6,7-bis(bromanyl)-1~{H}-benzotriazole, Casein kinase II subunit alpha, SODIUM ION | Authors: | Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J. | Deposit date: | 2019-12-03 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2. J.Phys.Chem.B, 125, 2021
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5WL1
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![BU of 5wl1 by Molmil](/molmil-images/mine/5wl1) | Crystal Structure of Human CD1b in Complex with PG | Descriptor: | (19S,22R,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9E)-octadec-9-enoate, 1,2-ETHANEDIOL, Beta-2-microglobulin, ... | Authors: | Shahine, A, Gras, S, Rossjohn, J. | Deposit date: | 2017-07-25 | Release date: | 2017-11-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | A molecular basis of human T cell receptor autoreactivity toward self-phospholipids. Sci Immunol, 2, 2017
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