6WF3
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![BU of 6wf3 by Molmil](/molmil-images/mine/6wf3) | Crystal structure of human Naa50 in complex with a cofactor derived inhibitor (compound 1) | Descriptor: | ACE-MET-LEU-GLY-PRO-NH2, COENZYME A, N-alpha-acetyltransferase 50 | Authors: | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | Deposit date: | 2020-04-03 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.291 Å) | Cite: | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library. Acs Med.Chem.Lett., 11, 2020
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6WT8
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![BU of 6wt8 by Molmil](/molmil-images/mine/6wt8) | Structure of a STING-associated CdnE c-di-GMP synthase from Flavobacteriaceae sp. | Descriptor: | STING-associated CdnE c-di-GMP synthase | Authors: | Morehouse, B.R, Govande, A.A, Millman, A, Keszei, A.F.A, Lowey, B, Ofir, G, Shao, S, Sorek, R, Kranzusch, P.J. | Deposit date: | 2020-05-01 | Release date: | 2020-09-09 | Last modified: | 2020-10-28 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | STING cyclic dinucleotide sensing originated in bacteria. Nature, 586, 2020
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4RK4
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![BU of 4rk4 by Molmil](/molmil-images/mine/4rk4) | Crystal structure of LacI family transcriptional regulator from Lactobacillus casei, Target EFI-512911, with bound glucose | Descriptor: | SODIUM ION, Transcriptional regulator, LacI family, ... | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-10-11 | Release date: | 2014-11-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Crystal Structure of LacI Transcriptional Regulator Lsei_2103 from Lactobacillus casei, Target EFI-512911 To be Published
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4RM6
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![BU of 4rm6 by Molmil](/molmil-images/mine/4rm6) | Crystal structure of Hemopexin Binding Protein | Descriptor: | Heme/hemopexin-binding protein | Authors: | Zambolin, S, Clantin, B, Haouz, A, Villeret, V, Delepelaire, P. | Deposit date: | 2014-10-20 | Release date: | 2016-05-18 | Last modified: | 2016-06-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis for haem piracy from host haemopexin by Haemophilus influenzae. Nat Commun, 7, 2016
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6WZU
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![BU of 6wzu by Molmil](/molmil-images/mine/6wzu) | The crystal structure of Papain-Like Protease of SARS CoV-2 , P3221 space group | Descriptor: | CHLORIDE ION, GLYCEROL, Non-structural protein 3, ... | Authors: | Osipiuk, J, Tesar, C, Endres, M, Jedrzejczak, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-05-14 | Release date: | 2020-05-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors. Nat Commun, 12, 2021
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6X0A
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![BU of 6x0a by Molmil](/molmil-images/mine/6x0a) | X-ray structure of a chimeric ParDE toxin-antitoxin complex from Mesorhizobium opportunistum | Descriptor: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Plasmid stabilization system, Putative addiction module antidote protein, ... | Authors: | Lite, T.L, Grant, R.A, Laub, M.T. | Deposit date: | 2020-05-15 | Release date: | 2020-11-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Uncovering the basis of protein-protein interaction specificity with a combinatorially complete library. Elife, 9, 2020
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4TRY
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![BU of 4try by Molmil](/molmil-images/mine/4try) | Structure of BACE1 complex with a HEA-type inhibitor | Descriptor: | Beta-secretase 1, GLU-ILE-TIH-THC-NVA | Authors: | Akaji, K, Teruya, K, Akiyama, T, Sanjho, A, Yamashita, E, Nakagawa, A. | Deposit date: | 2014-06-18 | Release date: | 2015-07-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure of BACE1 complex with an anti-HMC-type inhibitor to be published
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4TU6
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![BU of 4tu6 by Molmil](/molmil-images/mine/4tu6) | Crystal structure of apo ATAD2A bromodomain with N1064 alternate conformation | Descriptor: | ATPase family AAA domain-containing protein 2, SULFATE ION | Authors: | Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J. | Deposit date: | 2014-06-23 | Release date: | 2014-12-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2. Biochem.J., 466, 2015
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6WIC
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![BU of 6wic by Molmil](/molmil-images/mine/6wic) | Pre-catalytic quaternary complex of human Polymerase Mu on a complementary DNA double-strand break substrate | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kaminski, A.M, Kunkel, T.A, Pedersen, L.C, Bebenek, K. | Deposit date: | 2020-04-09 | Release date: | 2020-10-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural snapshots of human DNA polymerase mu engaged on a DNA double-strand break. Nat Commun, 11, 2020
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6WES
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![BU of 6wes by Molmil](/molmil-images/mine/6wes) | Crystal structure of the effector SnTox3 from Parastagonospora nodorum | Descriptor: | Tox3 | Authors: | Outram, M.A, Williams, S.J, Ericsson, D.J, Kobe, B, Solomon, P.S. | Deposit date: | 2020-04-02 | Release date: | 2020-11-04 | Last modified: | 2021-09-01 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | The crystal structure of SnTox3 from the necrotrophic fungus Parastagonospora nodorum reveals a unique effector fold and provides insight into Snn3 recognition and pro-domain protease processing of fungal effectors. New Phytol., 231, 2021
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4RK6
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![BU of 4rk6 by Molmil](/molmil-images/mine/4rk6) | Crystal structure of LacI family transcriptional regulator CCPA from Weissella paramesenteroides, Target EFI-512926, with bound glucose | Descriptor: | Glucose-resistance amylase regulator, alpha-D-glucopyranose | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-10-11 | Release date: | 2014-10-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Crystal structure of transcriptional regulator CCPA from Weissella paramesenteroides, Target EFI-512926 To be Published
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6WGM
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![BU of 6wgm by Molmil](/molmil-images/mine/6wgm) | Crystal structure of a marine metagenome TRAP solute binding protein specific for pyroglutamate (Sorcerer II Global Ocean Sampling Expedition, unidentified microbe, scf7180008839099) in complex with co-purified pyroglutamate | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, FORMIC ACID, ... | Authors: | Fedorov, E, Vetting, M.W, Hogle, S.L, Dupont, C.L, Almo, S.C, Ghosh, A. | Deposit date: | 2020-04-05 | Release date: | 2020-04-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of a marine metagenome TRAP solute binding protein specific for aromatic acid ligands (Sorcerer II Global Ocean Sampling Expedition, unidentified microbe, GOS_140), in complex with co-purified pyroglutamate To Be Published
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7OA1
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![BU of 7oa1 by Molmil](/molmil-images/mine/7oa1) | |
4RVI
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![BU of 4rvi by Molmil](/molmil-images/mine/4rvi) | Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with non-peptidic inhibitor, GRL0519 | Descriptor: | (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, HIV-1 protease | Authors: | Yedidi, R.S, Garimella, H, Kaufman, J.D, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2014-11-26 | Release date: | 2016-05-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Enhanced antiviral activity by the P2-tris-tetrahydrofuran moiety of GRL-0519, a novel nonpeptidic HIV-1 protease inhibitor (PI), against multi-PI-resistant and highly darunavir-resistant strains of HIV-1 To be Published
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4TQ9
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![BU of 4tq9 by Molmil](/molmil-images/mine/4tq9) | Crystal Structure of a GDP-bound G12V Oncogenic Mutant of Human GTPase KRas | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Hunter, J.C, Manandhar, A, Gurbani, D, Chen, Z, Westover, K.D. | Deposit date: | 2014-06-10 | Release date: | 2015-06-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.491 Å) | Cite: | Biochemical and Structural Analysis of Common Cancer-Associated KRAS Mutations. Mol Cancer Res., 13, 2015
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4RYK
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![BU of 4ryk by Molmil](/molmil-images/mine/4ryk) | Crystal structure of a putative transcriptional regulator from Listeria monocytogenes EGD-e | Descriptor: | DI(HYDROXYETHYL)ETHER, L(+)-TARTARIC ACID, Lmo0325 protein, ... | Authors: | Filippova, E.V, Wawrzak, Z, Minasov, G, Kiryukhina, O, Jedrzejczak, R, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-12-15 | Release date: | 2015-01-07 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Crystal structure of a putative transcriptional regulator from Listeria monocytogenes EGD-e To be Published
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6WFK
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![BU of 6wfk by Molmil](/molmil-images/mine/6wfk) | Crystal structure of human Naa50 in complex with CoA and an inhibitor (compound 4a) identified using DNA encoded library technology | Descriptor: | (4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, COENZYME A, N-alpha-acetyltransferase 50 | Authors: | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | Deposit date: | 2020-04-03 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library. Acs Med.Chem.Lett., 11, 2020
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4RLK
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![BU of 4rlk by Molmil](/molmil-images/mine/4rlk) | Crystal structure of Z. mays CK2alpha in complex with the ATP-competitive inhibitor 4-[(E)-(fluoren-9-ylidenehydrazinylidene)-methyl] benzoate | Descriptor: | 4-[(E)-(9H-fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid, ACETATE ION, Casein kinase II subunit alpha, ... | Authors: | Guerra, B, Rasmussen, T.D.L, Schnitzler, A, Jensen, H.H, Boldyreff, B.S, Miyata, Y, Marcussen, N, Niefind, K, Issinger, O.G. | Deposit date: | 2014-10-17 | Release date: | 2014-12-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Protein kinase CK2 inhibition is associated with the destabilization of HIF-1 alpha in human cancer cells. Cancer Lett, 356, 2015
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6WMB
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![BU of 6wmb by Molmil](/molmil-images/mine/6wmb) | |
6WID
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![BU of 6wid by Molmil](/molmil-images/mine/6wid) | Nucleotide incorporation intermediate into quaternary complex of human Polymerase Mu on a complementary DNA double-strand break substrate | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kaminski, A.M, Kunkel, T.A, Pedersen, L.C, Bebenek, K. | Deposit date: | 2020-04-09 | Release date: | 2020-10-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural snapshots of human DNA polymerase mu engaged on a DNA double-strand break. Nat Commun, 11, 2020
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4RO3
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![BU of 4ro3 by Molmil](/molmil-images/mine/4ro3) | 1.8 Angstrom Crystal Structure of the N-terminal Domain of Protein with Unknown Function from Vibrio cholerae. | Descriptor: | Hypothetical Protein, SULFATE ION | Authors: | Minasov, G, Wawrzak, Z, Stogios, P.J, Skarina, T, Seed, K.D, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-10-27 | Release date: | 2014-12-03 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 1.8 Angstrom Crystal Structure of the N-terminal Domain of Protein with Unknown Function from Vibrio cholerae. To be Published
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6WJO
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![BU of 6wjo by Molmil](/molmil-images/mine/6wjo) | Crystal structure of wild-type Arginine Repressor from the pathogenic bacterium Corynebacterium pseudotuberculosis bound to tyrosine | Descriptor: | Arginine repressor, SODIUM ION, SULFATE ION, ... | Authors: | Nascimento, A.F.Z, Hernandez-Gonzalez, J.E, de Morais, M.A.B, Murakami, M.T, Carareto, C.M.A, Arni, R.K, Mariutti, R.B. | Deposit date: | 2020-04-14 | Release date: | 2020-04-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.693 Å) | Cite: | A single P115Q mutation modulates specificity in the Corynebacterium pseudotuberculosis arginine repressor. Biochim Biophys Acta Gen Subj, 1864, 2020
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4TRJ
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![BU of 4trj by Molmil](/molmil-images/mine/4trj) | Crystal structure of Mycobacterium tuberculosis enoyl reductase (INHA) complexed with N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide, refined with new ligand restraints | Descriptor: | (3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | He, X, Alian, A, Stroud, R.M, Ortiz de Montellano, P.R. | Deposit date: | 2014-06-17 | Release date: | 2014-08-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Pyrrolidine carboxamides as a novel class of inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis J. Med. Chem., 2006
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4RV7
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![BU of 4rv7 by Molmil](/molmil-images/mine/4rv7) | Characterization of an essential diadenylate cyclase | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Diadenylate cyclase, HEXANE-1,6-DIOL, ... | Authors: | Dickmanns, A, Neumann, P, Ficner, R. | Deposit date: | 2014-11-25 | Release date: | 2015-01-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and Biochemical Analysis of the Essential Diadenylate Cyclase CdaA from Listeria monocytogenes. J.Biol.Chem., 290, 2015
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7OCJ
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![BU of 7ocj by Molmil](/molmil-images/mine/7ocj) | Crystal structure of E.coli LexA in complex with nanobody NbSOS2(Nb14509) | Descriptor: | 1,2-ETHANEDIOL, LexA repressor, NbSOS2 (14509) | Authors: | Maso, L, Vascon, F, Chinellato, M, Pardon, E, Steyaert, J, Angelini, A, Tondi, D, Cendron, L. | Deposit date: | 2021-04-27 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Nanobodies targeting LexA autocleavage disclose a novel suppression strategy of SOS-response pathway. Structure, 30, 2022
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