6XLK
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![BU of 6xlk by Molmil](/molmil-images/mine/6xlk) | Cryo-EM structure of EcmrR-DNA complex in EcmrR-RPitc-4nt | Descriptor: | CHAPSO, MerR family transcriptional regulator EcmrR, TETRAPHENYLANTIMONIUM ION, ... | Authors: | Yang, Y, Liu, C, Liu, B. | Deposit date: | 2020-06-28 | Release date: | 2021-04-07 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural visualization of transcription activated by a multidrug-sensing MerR family regulator. Nat Commun, 12, 2021
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6XLA
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![BU of 6xla by Molmil](/molmil-images/mine/6xla) | Cryo-EM structure of EcmrR-DNA complex in EcmrR-RPitc-3nt | Descriptor: | MerR family transcriptional regulator EcmrR, TETRAPHENYLANTIMONIUM ION, synthetic non-template strand DNA (54-MER), ... | Authors: | Yang, Y, Liu, C, Shi, W, Liu, B. | Deposit date: | 2020-06-28 | Release date: | 2021-04-07 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural visualization of transcription activated by a multidrug-sensing MerR family regulator. Nat Commun, 12, 2021
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6XL6
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![BU of 6xl6 by Molmil](/molmil-images/mine/6xl6) | Cryo-EM structure of EcmrR-DNA complex in EcmrR-RPo | Descriptor: | CHAPSO, MerR family transcriptional regulator EcmrR, TETRAPHENYLANTIMONIUM ION, ... | Authors: | Yang, Y, Liu, C, Liu, B. | Deposit date: | 2020-06-28 | Release date: | 2021-04-07 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural visualization of transcription activated by a multidrug-sensing MerR family regulator. Nat Commun, 12, 2021
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8F12
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![BU of 8f12 by Molmil](/molmil-images/mine/8f12) | Structure of the MDM2 P53 binding domain in complex with H103, an all-D Helicon Polypeptide | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, H103, ... | Authors: | Li, K, Callahan, A.J, Travaline, T.L, Tokareva, O.S, Swiecicki, J.-M, Verdine, G.L, Pentelute, B.L, McGee, J.H. | Deposit date: | 2022-11-04 | Release date: | 2023-02-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Single-Shot Flow Synthesis of D-Proteins for Mirror-Image Phage Display Chemrxiv, 2023
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6DWY
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![BU of 6dwy by Molmil](/molmil-images/mine/6dwy) | Hermes transposase deletion dimer complex with (C/G) DNA and Ca2+ | Descriptor: | CALCIUM ION, DNA (26-MER), DNA (5'-D(*AP*GP*AP*GP*AP*AP*CP*AP*AP*CP*AP*AP*CP*AP*AP*G)-3'), ... | Authors: | Dyda, F, Hickman, A.B. | Deposit date: | 2018-06-28 | Release date: | 2018-09-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural insights into the mechanism of double strand break formation by Hermes, a hAT family eukaryotic DNA transposase. Nucleic Acids Res., 46, 2018
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1AD3
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![BU of 1ad3 by Molmil](/molmil-images/mine/1ad3) | |
4UVJ
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![BU of 4uvj by Molmil](/molmil-images/mine/4uvj) | |
6TZH
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![BU of 6tzh by Molmil](/molmil-images/mine/6tzh) | ADC-7 in complex with boronic acid transition state inhibitor S06015 | Descriptor: | Beta-lactamase, GLYCINE, PHOSPHATE ION, ... | Authors: | Fish, E.R, Powers, R.A, Wallar, B.J. | Deposit date: | 2019-08-12 | Release date: | 2020-06-24 | Last modified: | 2020-07-22 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | 1,2,3-Triazolylmethaneboronate: A Structure Activity Relationship Study of a Class of beta-Lactamase Inhibitors againstAcinetobacter baumanniiCephalosporinase. Acs Infect Dis., 6, 2020
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8F0Z
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![BU of 8f0z by Molmil](/molmil-images/mine/8f0z) | Structure of the MDM2 P53 binding domain in complex with H101, an all-D Helicon Polypeptide | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, H101, ... | Authors: | Li, K, Callahan, A.J, Travaline, T.L, Tokareva, O.S, Swiecicki, J.-M, Verdine, G.L, Pentelute, B.L, McGee, J.H. | Deposit date: | 2022-11-04 | Release date: | 2023-02-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Single-Shot Flow Synthesis of D-Proteins for Mirror-Image Phage Display Chemrxiv, 2023
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7PY2
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![BU of 7py2 by Molmil](/molmil-images/mine/7py2) | Structure of pathological TDP-43 filaments from ALS with FTLD | Descriptor: | TAR DNA-binding protein 43 | Authors: | Arseni, D, Hasegawa, H, Murzin, A.G, Kametani, F, Arai, M, Yoshida, M, Falcon, B. | Deposit date: | 2021-10-08 | Release date: | 2021-12-15 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.59 Å) | Cite: | Structure of pathological TDP-43 filaments from ALS with FTLD. Nature, 601, 2022
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8EQR
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![BU of 8eqr by Molmil](/molmil-images/mine/8eqr) | Crystal structure of E.coli DsbA mutant E24A | Descriptor: | DI(HYDROXYETHYL)ETHER, Thiol:disulfide interchange protein DsbA | Authors: | Wang, G, Heras, B. | Deposit date: | 2022-10-09 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | A Buried Water Network Modulates the Activity of the Escherichia coli Disulphide Catalyst DsbA. Antioxidants, 12, 2023
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6O7Z
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![BU of 6o7z by Molmil](/molmil-images/mine/6o7z) | Trypanosoma cruzi EIF4E5 translation initiation factor in complex with cap-1 | Descriptor: | 2-amino-9-[(2R,3R,4S,5R)-5-({[(R)-{[(S)-{[(R)-({(2R,3R,4R,5R)-5-[6-(dimethylamino)-9H-purin-9-yl]-3-hydroxy-4-methoxytetrahydrofuran-2-yl}methoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-1H-purin-7-ium, Putative Eukaryotic translation initiation factor 4E type 5, SULFATE ION | Authors: | Guimaraes, B.G, Reolon, L.W. | Deposit date: | 2019-03-08 | Release date: | 2019-05-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of the Trypanosoma cruzi EIF4E5 translation factor homologue in complex with mRNA cap-4. Nucleic Acids Res., 47, 2019
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8EM1
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![BU of 8em1 by Molmil](/molmil-images/mine/8em1) | Type IIS Restriction Endonuclease PaqCI, DNA Unbound | Descriptor: | 1,2-ETHANEDIOL, PaqCI, DNA Unbound | Authors: | Kennedy, M.A, Stoddard, B.L. | Deposit date: | 2022-09-26 | Release date: | 2023-03-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures, activity and mechanism of the Type IIS restriction endonuclease PaqCI. Nucleic Acids Res., 51, 2023
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5KAR
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![BU of 5kar by Molmil](/molmil-images/mine/5kar) | Murine acid sphingomyelinase-like phosphodiesterase 3b (SMPDL3B) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acid sphingomyelinase-like phosphodiesterase 3b, ... | Authors: | Gorelik, A, Illes, K, Heinz, L.X, Superti-Furga, G, Nagar, B. | Deposit date: | 2016-06-02 | Release date: | 2016-10-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.142 Å) | Cite: | Crystal Structure of the Acid Sphingomyelinase-like Phosphodiesterase SMPDL3B Provides Insights into Determinants of Substrate Specificity. J.Biol.Chem., 291, 2016
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6DYW
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![BU of 6dyw by Molmil](/molmil-images/mine/6dyw) | Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-(((3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl)thio)methyl)pyrrolidin-3-ol | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol, 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ... | Authors: | Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L. | Deposit date: | 2018-07-02 | Release date: | 2019-03-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Selective Inhibitors of Helicobacter pylori Methylthioadenosine Nucleosidase and Human Methylthioadenosine Phosphorylase. J. Med. Chem., 62, 2019
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4WJ5
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![BU of 4wj5 by Molmil](/molmil-images/mine/4wj5) | Structure of HLA-A2 in complex with an altered peptide ligands based on Mart-1 variant epitope | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | Authors: | Celie, P.H.N, Rodenko, B, Ovaa, H. | Deposit date: | 2014-09-29 | Release date: | 2014-10-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Altered Peptide Ligands Revisited: Vaccine Design through Chemically Modified HLA-A2-Restricted T Cell Epitopes. J Immunol., 193, 2014
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6I4R
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![BU of 6i4r by Molmil](/molmil-images/mine/6i4r) | Crystal structure of the disease-causing R460G mutant of the human dihydrolipoamide dehydrogenase at 1.44 Angstrom resolution | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, mitochondrial, ... | Authors: | Szabo, E, Wilk, P, Bui, D, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A. | Deposit date: | 2018-11-10 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.439 Å) | Cite: | Underlying molecular alterations in human dihydrolipoamide dehydrogenase deficiency revealed by structural analyses of disease-causing enzyme variants. Hum.Mol.Genet., 28, 2019
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5KAY
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![BU of 5kay by Molmil](/molmil-images/mine/5kay) | Structure of Spelter bound to Zn2+ | Descriptor: | SODIUM ION, Spelter, ZINC ION | Authors: | Guffy, S.L, Der, B.S, Kuhlman, B. | Deposit date: | 2016-06-02 | Release date: | 2016-08-03 | Last modified: | 2019-11-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Probing the minimal determinants of zinc binding with computational protein design. Protein Eng.Des.Sel., 29, 2016
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5DRX
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![BU of 5drx by Molmil](/molmil-images/mine/5drx) | |
6OT8
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![BU of 6ot8 by Molmil](/molmil-images/mine/6ot8) | Bimetallic hexameric cage design 4 (BMC4) from cytochrome cb562 | Descriptor: | ACETOHYDROXAMIC ACID, FE (III) ION, HEME C, ... | Authors: | Golub, E, Esselborn, J, Bailey, J.B, Tezcan, F.A. | Deposit date: | 2019-05-02 | Release date: | 2020-01-29 | Last modified: | 2020-02-19 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Constructing protein polyhedra via orthogonal chemical interactions. Nature, 578, 2020
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5HHD
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![BU of 5hhd by Molmil](/molmil-images/mine/5hhd) | Crystal Structure of Chemically Synthesized Heterochiral {RFX037 plus VEGF-A} Protein Complex in space group P21 | Descriptor: | D-Peptide RFX037.D, D-Vascular endothelial growth factor, DI(HYDROXYETHYL)ETHER, ... | Authors: | Uppalapati, M, LEE, D.J, Mandal, K, Kent, S.B.H, Sidhu, S. | Deposit date: | 2016-01-10 | Release date: | 2016-03-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Potent d-Protein Antagonist of VEGF-A is Nonimmunogenic, Metabolically Stable, and Longer-Circulating in Vivo. Acs Chem.Biol., 11, 2016
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8S99
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![BU of 8s99 by Molmil](/molmil-images/mine/8s99) | Crystal structure of the TYK2 pseudokinase domain in complex with compound 11 | Descriptor: | (8S)-N-[(1R,2S)-2-fluorocyclopropyl]-5-{[(1M,2'M)-3'-fluoro-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E. | Deposit date: | 2023-03-27 | Release date: | 2023-07-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279. J.Med.Chem., 66, 2023
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5HHY
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![BU of 5hhy by Molmil](/molmil-images/mine/5hhy) | Structure of human Alanine:Glyoxylate Aminotransferase major allele (AGT-Ma) showing X-Ray induced reduction of PLP internal aldimine to 4'-deoxy-piridoxine-phosphate (PLR) | Descriptor: | (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, Serine--pyruvate aminotransferase | Authors: | Giardina, G, Cutruzzola, F, Borri Voltattorni, C, Cellini, B, Montioli, R. | Deposit date: | 2016-01-11 | Release date: | 2017-01-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Radiation damage at the active site of human alanine:glyoxylate aminotransferase reveals that the cofactor position is finely tuned during catalysis. Sci Rep, 7, 2017
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5KCD
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![BU of 5kcd by Molmil](/molmil-images/mine/5kcd) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-methyl Substituted OBHS-N derivative | Descriptor: | (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-methyl-N-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-06-06 | Release date: | 2016-11-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Full antagonism of the estrogen receptor without a prototypical ligand side chain. Nat. Chem. Biol., 13, 2017
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8S9A
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![BU of 8s9a by Molmil](/molmil-images/mine/8s9a) | Crystal structure of the TYK2 pseudokinase domain in complex with TAK-279 | Descriptor: | (8S)-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-{[(1P,2'P)-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E. | Deposit date: | 2023-03-27 | Release date: | 2023-07-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279. J.Med.Chem., 66, 2023
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