5FZE
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![BU of 5fze by Molmil](/molmil-images/mine/5fze) | Crystal structure of the catalytic domain of human JARID1B in complex with MC3960 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Rotili, D, Mai, A, Oppermann, U. | Deposit date: | 2016-03-14 | Release date: | 2017-03-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Mc3960 To be Published
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6GDZ
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![BU of 6gdz by Molmil](/molmil-images/mine/6gdz) | exendin-4 based dual GLP-1/glucagon receptor agonist | Descriptor: | (2~{S})-2-[[(4~{S})-4-(hexadecanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid, Exendin-4 | Authors: | Evers, A, Kurz, M. | Deposit date: | 2018-04-25 | Release date: | 2018-06-20 | Last modified: | 2019-05-08 | Method: | SOLUTION NMR | Cite: | Dual Glucagon-like Peptide 1 (GLP-1)/Glucagon Receptor Agonists Specifically Optimized for Multidose Formulations. J. Med. Chem., 61, 2018
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7DDW
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![BU of 7ddw by Molmil](/molmil-images/mine/7ddw) | Crystal structure of a mutant Staphylococcus equorum manganese superoxide dismutase S126C | Descriptor: | MANGANESE (II) ION, Superoxide dismutase | Authors: | Retnoningrum, D.S, Yoshida, H, Razani, M.D, Meidianto, V.F, Hartanto, A, Artarini, A, Ismaya, W.T. | Deposit date: | 2020-10-30 | Release date: | 2021-04-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | The role of S126 in the Staphylococcus equorum MnSOD activity and stability. J.Struct.Biol., 213, 2021
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5FTJ
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![BU of 5ftj by Molmil](/molmil-images/mine/5ftj) | Cryo-EM structure of human p97 bound to UPCDC30245 inhibitor | Descriptor: | 1-(3-(5-FLUORO-1H-INDOL-2-YL)PHENYL)PIPERIDIN-4-YL)(2-(4-ISOPROPYL-PIPERAZIN1-YL)ETHYL)-CARBAMATE, ADENOSINE-5'-DIPHOSPHATE, TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE | Authors: | Banerjee, S, Bartesaghi, A, Merk, A, Rao, P, Bulfer, S.L, Yan, Y, Green, N, Mroczkowski, B, Neitz, R.J, Wipf, P, Falconieri, V, Deshaies, R.J, Milne, J.L.S, Huryn, D, Arkin, M, Subramaniam, S. | Deposit date: | 2016-01-14 | Release date: | 2016-01-27 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | 2.3 A Resolution Cryo-Em Structure of Human P97 and Mechanism of Allosteric Inhibition Science, 351, 2016
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5I4N
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![BU of 5i4n by Molmil](/molmil-images/mine/5i4n) | |
3JAX
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![BU of 3jax by Molmil](/molmil-images/mine/3jax) | Heavy meromyosin from Schistosoma mansoni muscle thick filament by negative stain EM | Descriptor: | myosin 2 heavy chain, myosin regulatory light chain, smooth muscle myosin essential light chain | Authors: | Sulbaran, G, Alamo, L, Pinto, A, Marquez, G, Mendez, F, Padron, R, Craig, R. | Deposit date: | 2015-07-03 | Release date: | 2015-10-07 | Last modified: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (23 Å) | Cite: | An invertebrate smooth muscle with striated muscle myosin filaments. Proc.Natl.Acad.Sci.USA, 112, 2015
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5NGI
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![BU of 5ngi by Molmil](/molmil-images/mine/5ngi) | Structure of XcpQN012 | Descriptor: | Type II secretion system protein D | Authors: | Cambillau, C, Roussel, A, Trinh, T.N. | Deposit date: | 2017-03-17 | Release date: | 2018-01-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Unraveling the Self-Assembly of the Pseudomonas aeruginosa XcpQ Secretin Periplasmic Domain Provides New Molecular Insights into Type II Secretion System Secreton Architecture and Dynamics. MBio, 8, 2017
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6ZSG
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![BU of 6zsg by Molmil](/molmil-images/mine/6zsg) | Human mitochondrial ribosome in complex with mRNA, A-site tRNA, P-site tRNA and E-site tRNA | Descriptor: | 12S mitochondrial rRNA, 16S mitochondrial rRNA, 28S ribosomal protein S10, ... | Authors: | Aibara, S, Singh, V, Modelska, A, Amunts, A. | Deposit date: | 2020-07-15 | Release date: | 2020-10-14 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural basis of mitochondrial translation. Elife, 9, 2020
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1YSQ
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![BU of 1ysq by Molmil](/molmil-images/mine/1ysq) | The crystal structure of transcriptional regulator YaiJ | Descriptor: | HTH-type transcriptional regulator yiaJ, PHOSPHATE ION | Authors: | Bochkarev, A, Lunin, V.V, Ezersky, A, Evdokimova, E, Skarina, T, Xu, X, Borek, D, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2005-02-08 | Release date: | 2005-03-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural study of effector binding specificity in IclR transcriptional regulators To be Published
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8GLV
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![BU of 8glv by Molmil](/molmil-images/mine/8glv) | |
6ZSA
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![BU of 6zsa by Molmil](/molmil-images/mine/6zsa) | Human mitochondrial ribosome bound to mRNA, A-site tRNA and P-site tRNA | Descriptor: | 12S mitochondrial rRNA, 16S mitochondrial rRNA, 28S ribosomal protein S10, ... | Authors: | Aibara, S, Singh, V, Modelska, A, Amunts, A. | Deposit date: | 2020-07-15 | Release date: | 2020-10-21 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural basis of mitochondrial translation. Elife, 9, 2020
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3K1X
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![BU of 3k1x by Molmil](/molmil-images/mine/3k1x) | Acidic Fibroblast Growth Factor (FGF-1) complexed with dobesilate | Descriptor: | 2,5-dihydroxybenzenesulfonic acid, Heparin-binding growth factor 1 | Authors: | Romero, A, Fernandez, I.S, Gimenez-Gallego, G. | Deposit date: | 2009-09-29 | Release date: | 2010-02-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Gentisic acid, a compound associated with plant defense and a metabolite of aspirin, heads a new class of in vivo fibroblast growth factor inhibitors. J.Biol.Chem., 285, 2010
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4H8J
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![BU of 4h8j by Molmil](/molmil-images/mine/4h8j) | Structure of GluA2-LBD in complex with MES | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Glutamate receptor 2, ... | Authors: | Reiter, A, Skerra, A, Trauner, D, Schiefner, A. | Deposit date: | 2012-09-22 | Release date: | 2013-09-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis of an artificial photoreceptor To be Published
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5AOT
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![BU of 5aot by Molmil](/molmil-images/mine/5aot) | Very high resolution structure of a novel carbohydrate binding module from Ruminococcus flavefaciens FD-1 endoglucanase Cel5A | Descriptor: | CACODYLATE ION, Carbohydrate binding module, GLYCEROL | Authors: | Pires, A.J, Ribeiro, T, Thompson, A, Venditto, I, Fernandes, V.O, Bule, P, Santos, H, Alves, V.D, Pires, V, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S. | Deposit date: | 2015-09-11 | Release date: | 2016-06-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Complexity of the Ruminococcus flavefaciens cellulosome reflects an expansion in glycan recognition. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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8UOZ
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![BU of 8uoz by Molmil](/molmil-images/mine/8uoz) | EmrE structure in the TPP-bound state (WT/E14Q heterodimer) | Descriptor: | SMR family multidrug efflux protein EmrE, TETRAPHENYLPHOSPHONIUM | Authors: | Li, J, Sae Her, A, Besch, A, Ramirez, B, Crames, M, Banigan, J.R, Mueller, C, Marsiglia, W.M, Zhang, Y, Traaseth, N.J. | Deposit date: | 2023-10-20 | Release date: | 2024-05-29 | Last modified: | 2024-07-03 | Method: | SOLID-STATE NMR, SOLUTION NMR | Cite: | Dynamics underlie the drug recognition mechanism by the efflux transporter EmrE. Nat Commun, 15, 2024
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3ZNH
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![BU of 3znh by Molmil](/molmil-images/mine/3znh) | Crimean Congo Hemorrhagic Fever Virus OTU domain in complex with ubiquitin-propargyl. | Descriptor: | POLYUBIQUITIN-B, UBIQUITIN THIOESTERASE | Authors: | Ekkebus, R, vanKasteren, S.I, Kulathu, Y, Scholten, A, Berlin, I, deJong, A, Goerdayal, G, Neefjes, J, Heck, A.J.R, Komander, D, Ovaa, H. | Deposit date: | 2013-02-14 | Release date: | 2013-02-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | On Terminal Alkynes that Can React with Active-Site Cysteine Nucleophiles in Proteases. J.Am.Chem.Soc., 135, 2013
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5AOS
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![BU of 5aos by Molmil](/molmil-images/mine/5aos) | Structure of a novel carbohydrate binding module from Ruminococcus flavefaciens FD-1 endoglucanase Cel5A solved at the As edge | Descriptor: | CACODYLATE ION, Carbohydrate binding module, GLYCEROL | Authors: | Pires, A.J, Ribeiro, T, Thompson, A, Venditto, I, Fernandes, V.O, Bule, P, Santos, H, Alves, V.D, Pires, V, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S. | Deposit date: | 2015-09-11 | Release date: | 2016-06-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Complexity of the Ruminococcus flavefaciens cellulosome reflects an expansion in glycan recognition. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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6BNS
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![BU of 6bns by Molmil](/molmil-images/mine/6bns) | STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC co-activator peptide and Compound 25a AKA BICYCLIC HEXAFLUOROISOPROPYL 2 ALCOHOL SULFONAMIDES | Descriptor: | 2-[(2S)-4-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 Chimera | Authors: | DHAR, T.G, GONG, H, WEINSTEIN, D.S, LU, Z, DUAN, J.J.W, STACHURA, S, HAQUE, L, KARMAKAR, A, HEMAGIRI, H, RAUT, D.K, GUPTA, A.K, KHAN, J.A, SACK, J.S, CAMAC, D.M, PUDZIANOWSKI, A.A, WU, D.R, YARDE, M, SHEN, D.R, BOROWSKI, V, XIE, J.H, SUN, H, ARIENZO, C.D, DABROS, M, GALELLA, M.A, WANG, F, WEIGELT, C.A, ZHAO, Q, FOSTER, W, SOMERVILLE, J.E, SALTER-CID, L.M, BARRISH, J.C, CARTER, P.H. | Deposit date: | 2017-11-17 | Release date: | 2017-12-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Identification of bicyclic hexafluoroisopropyl alcohol sulfonamides as retinoic acid receptor-related orphan receptor gamma (ROR gamma /RORc) inverse agonists. Employing structure-based drug design to improve pregnane X receptor (PXR) selectivity. Bioorg. Med. Chem. Lett., 28, 2018
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8UWU
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![BU of 8uwu by Molmil](/molmil-images/mine/8uwu) | EmrE structure in the proton-bound state (WT/L51I heterodimer) | Descriptor: | SMR family multidrug efflux protein EmrE | Authors: | Li, J, Sae Her, A, Besch, A, Ramirez, B, Crames, M, Banigan, J.R, Mueller, C, Marsiglia, W.M, Zhang, Y, Traaseth, N.J. | Deposit date: | 2023-11-08 | Release date: | 2024-05-29 | Last modified: | 2024-07-03 | Method: | SOLID-STATE NMR, SOLUTION NMR | Cite: | Dynamics underlie the drug recognition mechanism by the efflux transporter EmrE. Nat Commun, 15, 2024
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6BX8
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![BU of 6bx8 by Molmil](/molmil-images/mine/6bx8) | Human Mesotrypsin (PRSS3) Complexed with Tissue Factor Pathway Inhibitor Variant (TFPI1-KD1-K15R-I17C-I34C) | Descriptor: | SULFATE ION, Tissue factor pathway inhibitor, Trypsin-3 | Authors: | Coban, M, Sankaran, B, Cohen, I, Hockla, A, Papo, N, Radisky, E.S. | Deposit date: | 2017-12-18 | Release date: | 2019-02-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Disulfide engineering of human Kunitz-type serine protease inhibitors enhances proteolytic stability and target affinity toward mesotrypsin. J. Biol. Chem., 294, 2019
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7BIO
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![BU of 7bio by Molmil](/molmil-images/mine/7bio) | Crystal structure of monooxygenase RslO4 from Streptomyces bottropensis | Descriptor: | ACETATE ION, ETHANOL, Monooxygenase/putative anthronoxygenase, ... | Authors: | Zhang, L, Zuo, C, Alali, A, Bechthold, A, Einsle, O. | Deposit date: | 2021-01-12 | Release date: | 2021-01-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.795 Å) | Cite: | Biosynthesis of the Tricyclic Aromatic Type II Polyketide Rishirilide: New Potential Third Ring Oxygenation after Three Cyclization Steps. Mol Biotechnol., 63, 2021
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5GZT
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![BU of 5gzt by Molmil](/molmil-images/mine/5gzt) | Crystal Structure of Chitinase ChiW from Paenibacillus sp. str. FPU-7 Reveals a Novel Type of Bacterial Cell-Surface-Expressed Multi-Modular Enzyme Machinery | Descriptor: | Chitinase, FORMIC ACID, PHOSPHATE ION, ... | Authors: | Itoh, T, Hibi, T, Suzuki, F, Sugimoto, I, Fujiwara, A, Inaka, K, Tanaka, H, Ohta, K, Fujii, Y, Taketo, A, Kimoto, H. | Deposit date: | 2016-10-01 | Release date: | 2016-12-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of Chitinase ChiW from Paenibacillus sp. str. FPU-7 Reveals a Novel Type of Bacterial Cell-Surface-Expressed Multi-Modular Enzyme Machinery PLoS ONE, 11, 2016
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4LB4
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![BU of 4lb4 by Molmil](/molmil-images/mine/4lb4) | Crystal structure of human AR complexed with NADP+ and {2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A. | Deposit date: | 2013-06-20 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.8 Å) | Cite: | Modulation of aldose reductase inhibition by halogen bond tuning. Acs Chem.Biol., 8, 2013
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8AU1
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![BU of 8au1 by Molmil](/molmil-images/mine/8au1) | Jumbo Phage phi-kp24 tail outer sheath | Descriptor: | Putative tail sheath protein | Authors: | Ouyang, R, Briegel, A. | Deposit date: | 2022-08-25 | Release date: | 2022-12-14 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | High-resolution reconstruction of a Jumbo-bacteriophage infecting capsulated bacteria using hyperbranched tail fibers. Nat Commun, 13, 2022
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4LBS
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![BU of 4lbs by Molmil](/molmil-images/mine/4lbs) | Crystal structure of human AR complexed with NADP+ and {2-[(4-bromo-2,6-difluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-bromo-2,6-difluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A. | Deposit date: | 2013-06-21 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.76 Å) | Cite: | Modulation of aldose reductase inhibition by halogen bond tuning. Acs Chem.Biol., 8, 2013
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