3QTQ
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![BU of 3qtq by Molmil](/molmil-images/mine/3qtq) | CDK2 in complex with inhibitor RC-1-137 | Descriptor: | 1,2-ETHANEDIOL, Cyclin-dependent kinase 2, [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-02-23 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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6NP7
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![BU of 6np7 by Molmil](/molmil-images/mine/6np7) | Crystal structure of Trypanosoma cruzi bromodomain BDF2 (TcCLB.506553.20) | Descriptor: | Bromodomain factor 2 protein | Authors: | Lin, Y.H, Dong, A, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Hui, R, Harding, R.J, Structural Genomics Consortium (SGC) | Deposit date: | 2019-01-17 | Release date: | 2019-02-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Crystal structure of Trypanosoma cruzi bromodomain BDF2 (TcCLB.506553.20) to be published
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3QTW
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![BU of 3qtw by Molmil](/molmil-images/mine/3qtw) | CDK2 in complex with inhibitor RC-2-13 | Descriptor: | 1,2-ETHANEDIOL, Cyclin-dependent kinase 2, [4-amino-2-(phenylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-02-23 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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1UDI
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3QTU
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![BU of 3qtu by Molmil](/molmil-images/mine/3qtu) | CDK2 in complex with inhibitor RC-2-132 | Descriptor: | 4-{[4-amino-5-(4-sulfamoylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2 | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-02-23 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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6NRC
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![BU of 6nrc by Molmil](/molmil-images/mine/6nrc) | hTRiC-hPFD Class3 | Descriptor: | Prefoldin subunit 1, Prefoldin subunit 2, Prefoldin subunit 3, ... | Authors: | Gestaut, D, Roh, S.H, Ma, B, Pintilie, G, Joachimiak, L.A, Leitner, A, Walzthoeni, T, Aebersold, R, Chiu, W, Frydman, J. | Deposit date: | 2019-01-23 | Release date: | 2019-06-19 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (8.3 Å) | Cite: | The Chaperonin TRiC/CCT Associates with Prefoldin through a Conserved Electrostatic Interface Essential for Cellular Proteostasis. Cell, 177, 2019
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6NR5
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![BU of 6nr5 by Molmil](/molmil-images/mine/6nr5) | Human LSD1 in complex with Phenelzine sulfate | Descriptor: | Lysine-specific histone demethylase 1A, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4R)-5-[(4aR)-7,8-dimethyl-2,4-dioxo-5-(2-phenylethyl)-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) | Authors: | Tan, A.H.Y, Tu, W, McCuaig, R, Donovan, T, Tsimbalyuk, S, Forwood, J.K, Rao, S. | Deposit date: | 2019-01-22 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Lysine-Specific Histone Demethylase 1A Regulates Macrophage Polarization and Checkpoint Molecules in the Tumor Microenvironment of Triple-Negative Breast Cancer. Front Immunol, 10, 2019
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1TSP
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![BU of 1tsp by Molmil](/molmil-images/mine/1tsp) | CRYSTAL STRUCTURE OF P22 TAILSPIKE PROTEIN: INTERDIGITATED SUBUNITS IN A THERMOSTABLE TRIMER | Descriptor: | TAILSPIKE-PROTEIN | Authors: | Steinbacher, S, Seckler, R, Miller, S, Steipe, B, Huber, R, Reinemer, P. | Deposit date: | 1994-06-16 | Release date: | 1995-09-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of P22 tailspike protein: interdigitated subunits in a thermostable trimer. Science, 265, 1994
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6O07
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6O24
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![BU of 6o24 by Molmil](/molmil-images/mine/6o24) | Crystal structure of 4498 Fab in complex with circumsporozoite protein NANP3 and anti-Kappa VHH domain | Descriptor: | 1,2-ETHANEDIOL, 4498 Fab heavy chain, 4498 Kappa light chain, ... | Authors: | Scally, S.W, Bosch, A, Prieto, K, Murugan, R, Wardemann, H, Julien, J.P. | Deposit date: | 2019-02-22 | Release date: | 2020-07-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Evolution of protective human antibodies against Plasmodium falciparum circumsporozoite protein repeat motifs. Nat. Med., 26, 2020
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3QTR
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![BU of 3qtr by Molmil](/molmil-images/mine/3qtr) | CDK2 in complex with inhibitor RC-1-148 | Descriptor: | Cyclin-dependent kinase 2, [4-amino-2-(phenylamino)-1,3-thiazol-5-yl](phenyl)methanone | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-02-23 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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5LKM
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![BU of 5lkm by Molmil](/molmil-images/mine/5lkm) | RadA bound to dTDP | Descriptor: | DNA repair protein RadA, MAGNESIUM ION, THYMIDINE-5'-DIPHOSPHATE | Authors: | Rapisarda, C, Remaut, H, Fornzes, R. | Deposit date: | 2016-07-22 | Release date: | 2017-06-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Bacterial RadA is a DnaB-type helicase interacting with RecA to promote bidirectional D-loop extension. Nat Commun, 8, 2017
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6NHJ
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![BU of 6nhj by Molmil](/molmil-images/mine/6nhj) | Atomic structures and deletion mutant reveal different capsid-binding patterns and functional significance of tegument protein pp150 in murine and human cytomegaloviruses with implications for therapeutic development | Descriptor: | Major capsid protein, Minor capsid protein, Small capsomere-interacting protein, ... | Authors: | Liu, W, Dai, X.H, Jih, J, Chan, K, Trang, P, Yu, X.K, Balogun, R, Mei, Y, Liu, F.Y, Zhou, Z.H. | Deposit date: | 2018-12-22 | Release date: | 2019-03-06 | Last modified: | 2019-11-27 | Method: | ELECTRON MICROSCOPY (5 Å) | Cite: | Atomic structures and deletion mutant reveal different capsid-binding patterns and functional significance of tegument protein pp150 in murine and human cytomegaloviruses with implications for therapeutic development. PLoS Pathog., 15, 2019
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6IHB
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![BU of 6ihb by Molmil](/molmil-images/mine/6ihb) | Adeno-Associated Virus 2 in complex with AAVR | Descriptor: | Capsid protein VP1, Dyslexia-associated protein KIAA0319-like protein | Authors: | Lou, Z.Y, Zhang, R. | Deposit date: | 2018-09-29 | Release date: | 2019-03-20 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.84 Å) | Cite: | Adeno-associated virus 2 bound to its cellular receptor AAVR. Nat Microbiol, 4, 2019
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5MZX
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![BU of 5mzx by Molmil](/molmil-images/mine/5mzx) | Crystal structure of the decarboxylase AibA/AibB in complex with 4'-diphospho pantetheine | Descriptor: | 4'-diphospho pantetheine, ACETATE ION, GLYCEROL, ... | Authors: | Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W. | Deposit date: | 2017-02-02 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus. Angew. Chem. Int. Ed. Engl., 56, 2017
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3RKB
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![BU of 3rkb by Molmil](/molmil-images/mine/3rkb) | CDK2 in complex with inhibitor RC-2-73 | Descriptor: | 1,2-ETHANEDIOL, Cyclin-dependent kinase 2, [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-04-17 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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6NKF
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![BU of 6nkf by Molmil](/molmil-images/mine/6nkf) | Crystal Structure of the Lipase Lip_vut4 from Goat Rumen metagenome. | Descriptor: | 1,2-ETHANEDIOL, 2-BUTANOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kim, Y, Welk, L, Mukendi, G, Nkhi, G, Motloi, T, Jedrzejczak, R, Feto, N, Joachimiak, A. | Deposit date: | 2019-01-07 | Release date: | 2020-01-22 | Method: | X-RAY DIFFRACTION (2.232 Å) | Cite: | Crystal Structure of the Lipase Lip_vut4 from Goat Rumen metagenome. To Be Published
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4RV2
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![BU of 4rv2 by Molmil](/molmil-images/mine/4rv2) | Crystal Structure of (3R)-hydroxyacyl-ACP dehydratase HadAB hetero-dimer from Mycobacterium smegmatis | Descriptor: | MaoC family protein, SULFATE ION, UPF0336 protein MSMEG_1340/MSMEI_1302 | Authors: | Biswas, R, Hazra, D, Dutta, D, Das, A.K. | Deposit date: | 2014-11-24 | Release date: | 2015-02-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of dehydratase component HadAB complex of mycobacterial FAS-II pathway. Biochem.Biophys.Res.Commun., 458, 2015
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5N70
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![BU of 5n70 by Molmil](/molmil-images/mine/5n70) | CRYSTAL STRUCTURE OF MATURE CATHEPSIN D FROM THE TICK IXODES RICINUS (IRCD1) IN COMPLEX WITH THE N-TERMINAL OCTAPEPTIDE OF THE PROPEPTID | Descriptor: | ALA-PHE-ARG-ILE-PRO-LEU-THR-ARG, Putative cathepsin d | Authors: | Brynda, J, Hanova, I, Hobizalova, R, Mares, M. | Deposit date: | 2017-02-17 | Release date: | 2017-12-27 | Last modified: | 2018-03-28 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite. Cell Chem Biol, 25, 2018
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5N7N
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![BU of 5n7n by Molmil](/molmil-images/mine/5n7n) | CRYSTAL STRUCTURE OF CATHEPSIN D ZYMOGEN FROM THE TICK IXODES RICINUS (IRCD1) | Descriptor: | AMMONIUM ION, Putative cathepsin d, SULFATE ION | Authors: | Brynda, J, Hanova, I, Hobizalova, R, Mares, M. | Deposit date: | 2017-02-21 | Release date: | 2017-12-27 | Last modified: | 2018-03-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite. Cell Chem Biol, 25, 2018
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1R9P
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![BU of 1r9p by Molmil](/molmil-images/mine/1r9p) | Solution NMR Structure Of The Haemophilus Influenzae Iron-Sulfur Cluster Assembly Protein U (IscU) with Zinc Bound at the Active Site. Northeast Structural Genomics Consortium Target IR24. | Descriptor: | NifU-like protein, ZINC ION | Authors: | Ramelot, T.A, Cort, J.R, Xiao, R, Shastry, R, Acton, T.B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2003-10-30 | Release date: | 2004-11-09 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of the iron-sulfur cluster assembly protein U (IscU) with zinc bound at the active site. J.Mol.Biol., 344, 2004
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6NM0
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![BU of 6nm0 by Molmil](/molmil-images/mine/6nm0) | Selective inhibition of carbonic anhydrase IX activity, using compound SLC-149, displays limited anticancer effects in breast cancer cell lines | Descriptor: | 4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Singh, S, McKenna, R. | Deposit date: | 2019-01-10 | Release date: | 2020-01-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Inhibition of Carbonic Anhydrase Using SLC-149: Support for a Noncatalytic Function of CAIX in Breast Cancer. J.Med.Chem., 64, 2021
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4ERH
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![BU of 4erh by Molmil](/molmil-images/mine/4erh) | The crystal structure of OmpA domain of OmpA from Salmonella enterica subsp. enterica serovar Typhimurium str. 14028S | Descriptor: | GLYCEROL, Outer membrane protein A, SULFATE ION | Authors: | Tan, K, Wu, R, Jedrzejczak, R, Adkins, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Program for the Characterization of Secreted Effector Proteins (PCSEP) | Deposit date: | 2012-04-20 | Release date: | 2012-05-02 | Last modified: | 2015-04-01 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | The crystal structure of OmpA domain of OmpA from Salmonella enterica subsp. enterica serovar Typhimurium str. 14028S To be Published
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3S0O
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![BU of 3s0o by Molmil](/molmil-images/mine/3s0o) | CDK2 in complex with inhibitor RC-1-138 | Descriptor: | Cyclin-dependent kinase 2, [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-2-yl)methanone | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-05-13 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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1RHH
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![BU of 1rhh by Molmil](/molmil-images/mine/1rhh) | Crystal Structure of the Broadly HIV-1 Neutralizing Fab X5 at 1.90 Angstrom Resolution | Descriptor: | Fab X5, heavy chain, light chain | Authors: | Darbha, R, Phogat, S, Labrijn, A.F, Shu, Y, Gu, Y, Andrykovitch, M, Zhang, M.Y, Pantophlet, R, Martin, L, Vita, C, Burton, D.R, Dimitrov, D.S, Ji, X. | Deposit date: | 2003-11-14 | Release date: | 2004-02-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of the Broadly Cross-Reactive HIV-1-Neutralizing Fab X5 and Fine Mapping of Its Epitope Biochemistry, 43, 2004
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