3ICU
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![BU of 3icu by Molmil](/molmil-images/mine/3icu) | Protease-associated domain of the E3 ligase grail | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, E3 ubiquitin-protein ligase RNF128 | Authors: | Walker, J.R, Yermekbayeva, L, Seitova, A, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-07-18 | Release date: | 2009-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | PA Domain of the E3 Ligase Grail To be Published
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3ID4
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![BU of 3id4 by Molmil](/molmil-images/mine/3id4) | Crystal Structure of RseP PDZ2 domain fused GKASPV peptide | Descriptor: | Regulator of sigma E protease | Authors: | Li, X, Wang, B, Feng, L, Wang, J, Shi, Y. | Deposit date: | 2009-07-20 | Release date: | 2009-08-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.604 Å) | Cite: | Cleavage of RseA by RseP requires a carboxyl-terminal hydrophobic amino acid following DegS cleavage Proc.Natl.Acad.Sci.USA, 106, 2009
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3ID2
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![BU of 3id2 by Molmil](/molmil-images/mine/3id2) | Crystal Structure of RseP PDZ2 domain | Descriptor: | IODIDE ION, Regulator of sigma E protease | Authors: | Li, X, Wang, B, Feng, L, Wang, J, Shi, Y. | Deposit date: | 2009-07-20 | Release date: | 2009-08-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.089 Å) | Cite: | Cleavage of RseA by RseP requires a carboxyl-terminal hydrophobic amino acid following DegS cleavage Proc.Natl.Acad.Sci.USA, 106, 2009
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5OS8
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![BU of 5os8 by Molmil](/molmil-images/mine/5os8) | The crystal structure of CK2alpha in complex with compound 11 | Descriptor: | ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-17 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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5OVG
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![BU of 5ovg by Molmil](/molmil-images/mine/5ovg) | Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with small molecule inhibitor compound 18 | Descriptor: | 1,2-ETHANEDIOL, Son of sevenless homolog 1, ~{N}-[(1~{R})-1-[5-(6,7-dihydro-5~{H}-pyrrolo[1,2-a]imidazol-3-yl)thiophen-2-yl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine | Authors: | Hillig, R.C, Sautier, B, Schroeder, J, Moosmayer, D, Hilpmann, A, Stegmann, C.M, Briem, H, Boemer, U, Weiske, J, Badock, V, Petersen, K, Kahmann, J, Wegener, D, Bohnke, N, Eis, K, Graham, K, Wortmann, L, von Nussbaum, F, Bader, B. | Deposit date: | 2017-08-28 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6B18
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![BU of 6b18 by Molmil](/molmil-images/mine/6b18) | Crystal structure of PPK3 Class III in complex with inhibitor | Descriptor: | GLYCEROL, PHOSPHATE ION, PPK3 Class III, ... | Authors: | Nocek, B, Ruszkowski, M, Berlicki, L, Joachimiak, A, Yakunin, A. | Deposit date: | 2017-09-17 | Release date: | 2019-01-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Insights into Substrate Selectivity and Activity of Bacterial Polyphosphate Kinases Acs Catalysis, 8, 2018
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5OTI
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![BU of 5oti by Molmil](/molmil-images/mine/5oti) | The crystal structure of CK2alpha in complex with compound 27 | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, ~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methyl-1~{H}-benzimidazol-2-yl)ethanamine | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-22 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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5OVY
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![BU of 5ovy by Molmil](/molmil-images/mine/5ovy) | Crystal structure of MAB_4384 tetR | Descriptor: | Putative transcriptional regulator, TetR family | Authors: | Richard, M, Gutierrez, A.V, Viljoen, A, Ghigo, E, Blaise, M, Kremer, L. | Deposit date: | 2017-08-30 | Release date: | 2018-03-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mechanistic and Structural Insights Into the Unique TetR-Dependent Regulation of a Drug Efflux Pump inMycobacterium abscessus. Front Microbiol, 9, 2018
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7ZHF
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![BU of 7zhf by Molmil](/molmil-images/mine/7zhf) | |
6SM1
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![BU of 6sm1 by Molmil](/molmil-images/mine/6sm1) | Wild type immunoglobulin light chain (WT-1) | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, Immunoglobulin lambda variable 2-14, ... | Authors: | Kazman, P, Vielberg, M.-T, Cendales, M.D.P, Hunziger, L, Weber, B, Hegenbart, U, Zacharias, M, Koehler, R, Schoenland, S, Groll, M, Buchner, J. | Deposit date: | 2019-08-21 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Fatal amyloid formation in a patient's antibody light chain is caused by a single point mutation. Elife, 9, 2020
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7ZHK
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5OTS
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![BU of 5ots by Molmil](/molmil-images/mine/5ots) | The crystal structure of CK2alpha in complex with an analogue of compound 22 | Descriptor: | 2-(1~{H}-benzimidazol-2-yl)ethyl-[[3,5-bis(chloranyl)-4-phenyl-phenyl]methyl]azanium, Casein kinase II subunit alpha | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-22 | Release date: | 2018-09-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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5OTY
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![BU of 5oty by Molmil](/molmil-images/mine/5oty) | The crystal structure of CK2alpha in complex with CAM4712 | Descriptor: | 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methyl]ethanamine, ACETATE ION, Casein kinase II subunit alpha, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-22 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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7ZRR
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![BU of 7zrr by Molmil](/molmil-images/mine/7zrr) | Crystal structure of human Urokinase-type plasminogen activator in complex with bicycle peptide inhibitor UK965 | Descriptor: | 1,2-ETHANEDIOL, 1,3,5-tris(bromomethyl)benzene, AMINO GROUP, ... | Authors: | Caregnato, A, Angela, P, Mazzoccato, Y, Frasson, N, Angelini, A, Cendron, L. | Deposit date: | 2022-05-05 | Release date: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Crystal structure of human Urokinase-type plasminogen activator in complex with bicycle peptide inhibitor UK965 To Be Published
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7ZRT
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![BU of 7zrt by Molmil](/molmil-images/mine/7zrt) | Crystal structure of human Urokinase-type plasminogen activator in complex with bicycle peptide inhibitor UK970 | Descriptor: | 1,2-ETHANEDIOL, 1,3,5-tris(bromomethyl)benzene, DI(HYDROXYETHYL)ETHER, ... | Authors: | Caregnato, A, Angela, P, Mazzoccato, Y, Frasson, N, Angelini, A, Cendron, L. | Deposit date: | 2022-05-05 | Release date: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of human Urokinase-type plasminogen activator in complex with bicycle peptide inhibitor UK970 To Be Published
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6SNO
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![BU of 6sno by Molmil](/molmil-images/mine/6sno) | Crystal structures of human PGM1 isoform 2 | Descriptor: | 1-O-phosphono-alpha-D-glucopyranose, Phosphoglucomutase-1, ZINC ION | Authors: | Backe, P.H, Laerdahl, J.K, Kittelsen, L.S, Dalhus, B, Morkrid, L, Bjoras, M. | Deposit date: | 2019-08-27 | Release date: | 2020-04-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for substrate and product recognition in human phosphoglucomutase-1 (PGM1) isoform 2, a member of the alpha-D-phosphohexomutase superfamily. Sci Rep, 10, 2020
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6SQK
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8A3Y
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![BU of 8a3y by Molmil](/molmil-images/mine/8a3y) | Structure of mammalian Pol II-DSIF-SPT6-PAF1-TFIIS-hexasome elongation complex | Descriptor: | DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit RPB11-a, DNA-directed RNA polymerase II subunit RPB3, ... | Authors: | Farnung, L, Ochmann, M, Garg, G, Vos, S.M, Cramer, P. | Deposit date: | 2022-06-09 | Release date: | 2024-07-31 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure of a backtracked hexasomal intermediate of nucleosome transcription. Mol.Cell, 82, 2022
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5O76
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![BU of 5o76 by Molmil](/molmil-images/mine/5o76) | Structure of phosphoY371 c-CBL in complex with ZAP70-peptide and UbV.pCBL ubiquitin variant | Descriptor: | CALCIUM ION, E3 ubiquitin-protein ligase CBL, Tyrosine protein kinase ZAP70 peptide, ... | Authors: | Gabrielsen, M, Buetow, L, Huang, D.T. | Deposit date: | 2017-06-08 | Release date: | 2017-11-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.473 Å) | Cite: | A General Strategy for Discovery of Inhibitors and Activators of RING and U-box E3 Ligases with Ubiquitin Variants. Mol. Cell, 68, 2017
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6AUC
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![BU of 6auc by Molmil](/molmil-images/mine/6auc) | Artificial metalloproteins containing a Co4O4 active site - 2xm-Sav | Descriptor: | N-biotin-C-Co4(mu3-O)4(Py)4(H2O)4-beta-alanine, Streptavidin | Authors: | Olshansky, L, Vallapurackal, J, Huerta-Lavorie, R, Tilley, T.D, Borovik, A.S. | Deposit date: | 2017-08-31 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Artificial Metalloproteins Containing Co J. Am. Chem. Soc., 140, 2018
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6AUK
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5OAC
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3IPZ
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6SX6
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![BU of 6sx6 by Molmil](/molmil-images/mine/6sx6) | Guanine-rich oligonucleotide with 5'-GC end form G-quadruplex with A(GGGG)A hexad, GCGC- and G-quartets and two symmetric GG and AA base pairs | Descriptor: | GCn | Authors: | Pavc, D, Wang, B, Spindler, L, Drevensek-Olenik, I, Plavec, J, Sket, P. | Deposit date: | 2019-09-25 | Release date: | 2020-07-22 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | GC ends control topology of DNA G-quadruplexes and their cation-dependent assembly. Nucleic Acids Res., 48, 2020
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6SGP
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![BU of 6sgp by Molmil](/molmil-images/mine/6sgp) | X-ray structure of human glutamate carboxypeptidase II (GCPII) - the E424M inactive mutant, in complex with a sulfamide inhibitor GluGlu | Descriptor: | (2~{S})-2-[[(2~{S})-1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]sulfamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Barinka, C, Shukla, S, Motlova, L. | Deposit date: | 2019-08-05 | Release date: | 2020-08-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structural, Biochemical, and Computational Characterization of Sulfamides as Bimetallic Peptidase Inhibitors. J.Chem.Inf.Model., 2024
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