6VDB
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![BU of 6vdb by Molmil](/molmil-images/mine/6vdb) | SETD2 in complex with a H3-variant super-substrate peptide | Descriptor: | ALA-PRO-ARG-PHE-GLY-GLY-VAL-MET-ARG-PRO-ASN-ARG, Histone-lysine N-methyltransferase SETD2, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Beldar, S, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Jeltsch, A, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | Deposit date: | 2019-12-24 | Release date: | 2020-01-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Sequence specificity analysis of the SETD2 protein lysine methyltransferase and discovery of a SETD2 super-substrate. Commun Biol, 3, 2020
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4XPZ
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6P9C
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![BU of 6p9c by Molmil](/molmil-images/mine/6p9c) | OXA-48 carbapanemase, doripenem complex | Descriptor: | (4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, CADMIUM ION, ... | Authors: | Smith, C.A, Vakulenko, S.B. | Deposit date: | 2019-06-10 | Release date: | 2019-08-07 | Last modified: | 2019-10-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Insights into the Mechanism of Carbapenemase Activity of the OXA-48 beta-Lactamase. Antimicrob.Agents Chemother., 63, 2019
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5MCO
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![BU of 5mco by Molmil](/molmil-images/mine/5mco) | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH ACTIVE SITE INHIBITOR GRL-8234 AND EXOSITE PEPTIDE | Descriptor: | BACE-1 EXOSITE PEPTIDE, Beta-secretase 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | Authors: | Kuglstatter, A, Stihle, M, Benz, J. | Deposit date: | 2016-11-10 | Release date: | 2017-09-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Potent and Selective BACE-1 Peptide Inhibitors Lower Brain A beta Levels Mediated by Brain Shuttle Transport. EBioMedicine, 24, 2017
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7T4P
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![BU of 7t4p by Molmil](/molmil-images/mine/7t4p) | CryoEM structure of Methylococcus capsulatus (Bath) pMMO treated with potassium cyanide and copper in a native lipid nanodisc at 3.62 Angstrom resolution | Descriptor: | 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dihexanoyl-sn-glycero-3-phosphocholine, Ammonia monooxygenase/methane monooxygenase, ... | Authors: | Koo, C.W, Rosenzweig, A.C. | Deposit date: | 2021-12-10 | Release date: | 2022-03-30 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (3.62 Å) | Cite: | Recovery of particulate methane monooxygenase structure and activity in a lipid bilayer. Science, 375, 2022
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7B2W
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![BU of 7b2w by Molmil](/molmil-images/mine/7b2w) | Torpedo californica acetylcholinesterase complexed with UO2 | Descriptor: | Acetylcholinesterase, URANYL (VI) ION | Authors: | Silman, I, Shnyrov, V.L, Ashani, Y, Roth, E, Nicolas, A, Sussman, J.L, Weiner, L. | Deposit date: | 2020-11-28 | Release date: | 2021-03-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Torpedo californica acetylcholinesterase is stabilized by binding of a divalent metal ion to a novel and versatile 4D motif. Protein Sci., 30, 2021
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6LW8
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![BU of 6lw8 by Molmil](/molmil-images/mine/6lw8) | Structural basis for domain rotation during adenylation of active site K123 and fragment library screening against NAD+ -dependent DNA ligase from Mycobacterium tuberculosis | Descriptor: | (4R)-4-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine, DNA ligase A, GLYCEROL, ... | Authors: | Ramachandran, R, Afsar, M, Shukla, A. | Deposit date: | 2020-02-07 | Release date: | 2021-02-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Structure based identification of first-in-class fragment inhibitors that target the NMN pocket of M. tuberculosis NAD + -dependent DNA ligase A. J.Struct.Biol., 213, 2021
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4XRR
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![BU of 4xrr by Molmil](/molmil-images/mine/4xrr) | Crystal structure of cals8 from micromonospora echinospora (P294S mutant) | Descriptor: | CalS8, GLYCEROL | Authors: | Michalska, K, Bigelow, L, Endres, M, Babnigg, G, Bingman, C.A, Yennamalli, R.M, Singh, S, Kharel, M.K, Thorson, J.S, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2015-01-21 | Release date: | 2015-02-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural Characterization of CalS8, a TDP-alpha-D-Glucose Dehydrogenase Involved in Calicheamicin Aminodideoxypentose Biosynthesis. J. Biol. Chem., 290, 2015
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7Z7N
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![BU of 7z7n by Molmil](/molmil-images/mine/7z7n) | Mot1E1434Q:TBP:DNA - substrate recognition state | Descriptor: | DNA (36-MER), Helicase-like protein, Putative tata-box binding protein | Authors: | Woike, S, Eustermann, S, Jung, J, Wenzl, S.J, Hagemann, G, Bartho, J.D, Lammens, K, Butryn, A, Herzog, F, Hopfner, K.-P. | Deposit date: | 2022-03-16 | Release date: | 2023-03-29 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (5.1 Å) | Cite: | Structural basis for TBP displacement from TATA box DNA by the Swi2/Snf2 ATPase Mot1. Nat.Struct.Mol.Biol., 30, 2023
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5ME4
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7Q3Q
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6M38
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![BU of 6m38 by Molmil](/molmil-images/mine/6m38) | X-ray structure of a Drosophila dopamine transporter with subsiteB mutations (D121G/S426M) in S-duloxetine bound form | Descriptor: | (3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine, Antibody fragment 9D5 heavy chain, Antibody fragment 9D5 light chain, ... | Authors: | Shabareesh, P, Mallela, A.K, Joseph, D, Penmatsa, A. | Deposit date: | 2020-03-02 | Release date: | 2021-02-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.001 Å) | Cite: | Structural basis of norepinephrine recognition and transport inhibition in neurotransmitter transporters. Nat Commun, 12, 2021
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7ZB5
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![BU of 7zb5 by Molmil](/molmil-images/mine/7zb5) | Mot1(1-1836):TBP:DNA - post-hydrolysis complex dimer | Descriptor: | DNA (36-MER), Helicase-like protein, Putative tata-box binding protein | Authors: | Woike, S, Eustermann, S, Jung, J, Wenzl, S.J, Hagemann, G, Bartho, J.D, Lammens, K, Butryn, A, Herzog, F, Hopfner, K.-P. | Deposit date: | 2022-03-23 | Release date: | 2023-04-05 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural basis for TBP displacement from TATA box DNA by the Swi2/Snf2 ATPase Mot1. Nat.Struct.Mol.Biol., 30, 2023
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5MEE
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![BU of 5mee by Molmil](/molmil-images/mine/5mee) | Cyanothece lipoxygenase 2 (CspLOX2) variant - L304V | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Arachidonate 15-lipoxygenase, FE (III) ION, ... | Authors: | Newie, J, Neumann, P, Werner, M, Mata, R.A, Ficner, R, Feussner, I. | Deposit date: | 2016-11-14 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Lipoxygenase 2 from Cyanothece sp. controls dioxygen insertion by steric shielding and substrate fixation. Sci Rep, 7, 2017
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5MLY
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![BU of 5mly by Molmil](/molmil-images/mine/5mly) | Closed loop conformation of PhaZ7 Y105E mutant | Descriptor: | PHB depolymerase PhaZ7 | Authors: | Kellici, T, Mavromoustakos, T, Jendrossek, D, Papageorgiou, A.C. | Deposit date: | 2016-12-08 | Release date: | 2017-05-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.598 Å) | Cite: | Crystal structure analysis, covalent docking, and molecular dynamics calculations reveal a conformational switch in PhaZ7 PHB depolymerase. Proteins, 85, 2017
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8T2E
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![BU of 8t2e by Molmil](/molmil-images/mine/8t2e) | BG505 Boost2 SOSIP.664 in complex with NHP polyclonal antibody FP3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FP3 Heavy Chain, ... | Authors: | Pratap, P.P, Antansijevic, A, Ozorowski, G, Ward, A.B. | Deposit date: | 2023-06-05 | Release date: | 2024-06-12 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Priming antibody responses to the fusion peptide in rhesus macaques. Npj Vaccines, 9, 2024
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5MMP
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![BU of 5mmp by Molmil](/molmil-images/mine/5mmp) | E. coli DNA Gyrase B 24 kDa ATPase domain in complex with 1-ethyl-3-[5-pyridin-4-yl-8-(pyridin-3-ylamino)-isoquinolin-3-yl]-urea | Descriptor: | 1-ethyl-3-[5-pyridin-4-yl-8-(pyridin-3-ylamino)isoquinolin-3-yl]urea, DNA gyrase subunit B | Authors: | Panchaud, P, Bruyere, T, Blumstein, A.-C, Bur, D, Chambovey, A, Ertel, E.A, Gude, M, Hubschwerlen, C, Jacob, L, Kimmerlin, T, Pfeifer, T, Prade, L, Seiler, P, Ritz, D, Rueedi, G. | Deposit date: | 2016-12-12 | Release date: | 2017-04-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery and Optimization of Isoquinoline Ethyl Ureas as Antibacterial Agents. J. Med. Chem., 60, 2017
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6M0Z
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![BU of 6m0z by Molmil](/molmil-images/mine/6m0z) | X-ray structure of Drosophila dopamine transporter with NET-like mutations (D121G/S426M/F471L) in L-norepinephrine bound form | Descriptor: | Antibody fragment (Fab) 9D5 Light chain, Antibody fragment (Fab) 9D5 heavy chain, CHLORIDE ION, ... | Authors: | Shabareesh, P, Mallela, A.K, Joseph, D, Penmatsa, A. | Deposit date: | 2020-02-24 | Release date: | 2021-02-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Structural basis of norepinephrine recognition and transport inhibition in neurotransmitter transporters. Nat Commun, 12, 2021
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6YHH
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![BU of 6yhh by Molmil](/molmil-images/mine/6yhh) | X-ray Structure of Flavobacterium johnsoniae chitobiase (FjGH20) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-N-acetylglucosaminidase-like protein Glycoside hydrolase family 20, GLYCEROL | Authors: | Mazurkewich, S, Helland, R, MacKenzie, A, Eijsink, V.G.H, Pope, P.B, Branden, G, Larsbrink, J. | Deposit date: | 2020-03-30 | Release date: | 2020-09-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural insights of the enzymes from the chitin utilization locus of Flavobacterium johnsoniae. Sci Rep, 10, 2020
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6UPA
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![BU of 6upa by Molmil](/molmil-images/mine/6upa) | Crystal Structure of GTPase Domain of Human Septin 2/Septin 6 Heterocomplex | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Rosa, H.V.D, Brandao-Neto, J, Martins, C, Araujo, A.P.U, Pereira, H.M, Garratt, R.C. | Deposit date: | 2019-10-17 | Release date: | 2020-09-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Molecular Recognition at Septin Interfaces: The Switches Hold the Key. J.Mol.Biol., 432, 2020
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8PH6
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![BU of 8ph6 by Molmil](/molmil-images/mine/8ph6) | X-ray structure of the adduct formed upon reaction of Lysozyme with K2[Ru2(DPhF)(CO3)3] in condition B | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lysozyme C, Ru2(DPhF)(CO3)2(Formate), ... | Authors: | Teran, A, Ferraro, G, Merlino, A. | Deposit date: | 2023-06-19 | Release date: | 2023-09-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Steric hindrance and charge influence on the cytotoxic activity and protein binding properties of diruthenium complexes. Int.J.Biol.Macromol., 253, 2023
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6S9Z
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![BU of 6s9z by Molmil](/molmil-images/mine/6s9z) | Expression tag modified N-terminus of human Carbonic Anhydrase II covalently linked to fragment | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 3-[3,4-bis(fluoranyl)phenyl]-5-methyl-1$l^{4},4,5$l^{4},7-tetrazabicyclo[4.3.0]nona-1(6),2,4-triene, Carbonic anhydrase 2, ... | Authors: | Gloeckner, S, Heine, A, Klebe, G. | Deposit date: | 2019-07-15 | Release date: | 2020-04-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II. Biomolecules, 10, 2020
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6SAT
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6YIF
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![BU of 6yif by Molmil](/molmil-images/mine/6yif) | Structure of Chromosomal Passenger Complex (CPC) bound to phosphorylated Histone 3 peptide at 1.8 A. | Descriptor: | Baculoviral IAP repeat-containing protein 5, Borealin, Inner centromere protein, ... | Authors: | Serena, M, Elliott, P.R, Barr, F.A. | Deposit date: | 2020-04-01 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Molecular basis of MKLP2-dependent Aurora B transport from chromatin to the anaphase central spindle. J.Cell Biol., 219, 2020
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5MKA
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![BU of 5mka by Molmil](/molmil-images/mine/5mka) | Maltodextrin binding protein MalE1 from L. casei BL23 bound to gamma-cyclodextrin | Descriptor: | Cyclooctakis-(1-4)-(alpha-D-glucopyranose), MalE1 | Authors: | Homburg, C, Bommer, M, Wuttge, S, Hobe, C, Beck, S, Dobbek, H, Deutscher, J, Licht, A, Schneider, E. | Deposit date: | 2016-12-02 | Release date: | 2017-07-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.149 Å) | Cite: | Inducer exclusion in Firmicutes: insights into the regulation of a carbohydrate ATP binding cassette transporter from Lactobacillus casei BL23 by the signal transducing protein P-Ser46-HPr. Mol. Microbiol., 105, 2017
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