7U8K
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![BU of 7u8k by Molmil](/molmil-images/mine/7u8k) | Magic Angle Spinning NMR Structure of Human Cofilin-2 Assembled on Actin Filaments | Descriptor: | Actin, alpha skeletal muscle, Cofilin-2 | Authors: | Kraus, J, Russell, R, Kudryashova, E, Xu, C, Katyal, N, Kudryashov, D, Perilla, J.R, Polenova, T. | Deposit date: | 2022-03-08 | Release date: | 2023-08-16 | Last modified: | 2024-02-28 | Method: | SOLID-STATE NMR | Cite: | Magic angle spinning NMR structure of human cofilin-2 assembled on actin filaments reveals isoform-specific conformation and binding mode. Nat Commun, 13, 2022
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6FSW
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![BU of 6fsw by Molmil](/molmil-images/mine/6fsw) | Structure of Archaeoglobus fulgidus SBDS protein at 1.9 Angstrom | Descriptor: | DI(HYDROXYETHYL)ETHER, Ribosome maturation protein SDO1-like protein | Authors: | Mazzorana, M, Foadi, J, Siliqi, D, Sanchez-Puig, N. | Deposit date: | 2018-02-20 | Release date: | 2018-03-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Conformational flexibility of proteins involved in ribosome biogenesis: investigations via Small Angle X-ray Scattering (SAXS) Crystals, 8, 2018
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5AEF
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![BU of 5aef by Molmil](/molmil-images/mine/5aef) | Electron cryo-microscopy of an Abeta(1-42)amyloid fibril | Descriptor: | AMYLOID BETA A4 PROTEIN | Authors: | Schmidt, M, Rohou, A, Lasker, K, Yadav, J.K, Schiene-Fischer, C, Fandrich, M, Grigorieff, N. | Deposit date: | 2015-08-29 | Release date: | 2015-10-14 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (5 Å) | Cite: | Peptide Dimer Structure in an Abeta(1-42) Fibril Visualized with Cryo-Em Proc.Natl.Acad.Sci.USA, 112, 2015
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8E10
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![BU of 8e10 by Molmil](/molmil-images/mine/8e10) | Structure of mouse polymerase beta | Descriptor: | DNA polymerase beta, MALONIC ACID | Authors: | Thompson, M.K, Sharma, N, Prakash, A. | Deposit date: | 2022-08-09 | Release date: | 2023-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Pol beta /XRCC1 heterodimerization dictates DNA damage recognition and basal Pol beta protein levels without interfering with mouse viability or fertility. DNA Repair (Amst), 123, 2023
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8E11
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![BU of 8e11 by Molmil](/molmil-images/mine/8e11) | Structure of mouse DNA polymerase Beta (PolB) mutant | Descriptor: | ACETATE ION, DNA polymerase beta, MALONIC ACID | Authors: | Sharma, N, Thompson, M.K, Prakash, A. | Deposit date: | 2022-08-09 | Release date: | 2023-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Pol beta /XRCC1 heterodimerization dictates DNA damage recognition and basal Pol beta protein levels without interfering with mouse viability or fertility. DNA Repair (Amst), 123, 2023
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7U3B
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![BU of 7u3b by Molmil](/molmil-images/mine/7u3b) | Structure of S. venezuelae GlgX bound to c-di-GMP and acarbose (pH 8.5) | Descriptor: | 4-O-(4,6-dideoxy-4-{[(1S,2S,3S,4R,5S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-D-glucopyranosyl)-beta-D-glucopyranose, 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Glycogen debranching enzyme GlgX, ... | Authors: | Schumacher, M.A, Tschowri, N. | Deposit date: | 2022-02-26 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Allosteric regulation of glycogen breakdown by the second messenger cyclic di-GMP. Nat Commun, 13, 2022
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6G16
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![BU of 6g16 by Molmil](/molmil-images/mine/6g16) | Structure of the human RBBP4:MTA1(464-546) complex showing loop exchange | Descriptor: | Histone-binding protein RBBP4, Metastasis-associated protein MTA1 | Authors: | Millard, C.J, Varma, N, Fairall, L, Schwabe, J.W.R. | Deposit date: | 2018-03-20 | Release date: | 2018-06-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The structure of the core NuRD repression complex provides insights into its interaction with chromatin. Elife, 5, 2016
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7U8G
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![BU of 7u8g by Molmil](/molmil-images/mine/7u8g) | Cryo-EM structure of the core human NADPH oxidase NOX2 | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 7G5 - heavy chain, ... | Authors: | Noreng, S, Ota, N, Sun, Y, Masureel, M, Payandeh, J, Yi, T, Koerber, J.T. | Deposit date: | 2022-03-08 | Release date: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structure of the core human NADPH oxidase NOX2. Nat Commun, 13, 2022
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7SP3
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![BU of 7sp3 by Molmil](/molmil-images/mine/7sp3) | E. coli RppH bound to Ap4A | Descriptor: | BIS(ADENOSINE)-5'-TETRAPHOSPHATE, CHLORIDE ION, FLUORIDE ION, ... | Authors: | Serganov, A.A, Vasilyev, N, Nuthanakanti, A. | Deposit date: | 2021-11-02 | Release date: | 2022-03-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A distinct RNA recognition mechanism governs Np 4 decapping by RppH. Proc.Natl.Acad.Sci.USA, 119, 2022
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5B8A
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![BU of 5b8a by Molmil](/molmil-images/mine/5b8a) | Crystal structure of oxidized chimeric EcAhpC1-186-YFSKHN | Descriptor: | Alkyl hydroperoxide reductase subunit C,Peroxiredoxin-2, GLYCEROL, SULFATE ION | Authors: | Kamariah, N, Sek, M.F, Eisenhaber, B, Eisenhaber, F, Gruber, G. | Deposit date: | 2016-06-14 | Release date: | 2017-02-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Transition steps in peroxide reduction and a molecular switch for peroxide robustness of prokaryotic peroxiredoxins. Sci Rep, 6, 2016
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7SO6
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![BU of 7so6 by Molmil](/molmil-images/mine/7so6) | Crystal Structure of HIV-1 K103N, Y181C mutant Reverse Transcriptase in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-7-fluoro-2-naphthonitrile (JLJ635), a Non-nucleoside Inhibitor | Descriptor: | 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-7-fluoronaphthalene-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ... | Authors: | Bertoletti, N, Frey, K.M, Anderson, K.S, Cisneros Trigo, J.A, Jorgensen, W.L, Chan, A.H. | Deposit date: | 2021-10-29 | Release date: | 2022-03-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Structural Studies and Structure Activity Relationships for Novel Computationally Designed Non-nucleoside Inhibitors and Their Interactions With HIV-1 Reverse Transcriptase. Front Mol Biosci, 9, 2022
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8DCS
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![BU of 8dcs by Molmil](/molmil-images/mine/8dcs) | Cryo-EM structure of cyanopindolol-bound beta1-adrenergic receptor in complex with heterotrimeric Gs-protein | Descriptor: | 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile, Endolysin,Endolysin,Beta-1 adrenergic receptor chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Su, M, Paknejad, N, Hite, R.K, Huang, X.Y. | Deposit date: | 2022-06-17 | Release date: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Structures of beta 1 -adrenergic receptor in complex with Gs and ligands of different efficacies. Nat Commun, 13, 2022
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8DCR
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![BU of 8dcr by Molmil](/molmil-images/mine/8dcr) | Cryo-EM structure of dobutamine-bound beta1-adrenergic receptor in complex with heterotrimeric Gs-protein | Descriptor: | DOBUTAMINE, Endolysin,Endolysin,Beta-1 adrenergic receptor chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Su, M, Paknejad, N, Hite, R.K, Huang, X.Y. | Deposit date: | 2022-06-17 | Release date: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structures of beta 1 -adrenergic receptor in complex with Gs and ligands of different efficacies. Nat Commun, 13, 2022
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8DKS
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![BU of 8dks by Molmil](/molmil-images/mine/8dks) | IRAK4 IN COMPLEX WITH COMPOUND #3 | Descriptor: | (1S,2S,3R,4R)-3-({2-[3-(pyrrolidine-1-carbonyl)anilino]thieno[3,2-d]pyrimidin-4-yl}amino)bicyclo[2.2.1]hept-5-ene-2-carboxamide, BETA-MERCAPTOETHANOL, Interleukin-1 receptor-associated kinase 4 | Authors: | Chen, Y, Lin, N. | Deposit date: | 2022-07-06 | Release date: | 2022-08-03 | Last modified: | 2022-08-17 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Bicyclic pyrimidine compounds as potent IRAK4 inhibitors. Bioorg.Med.Chem.Lett., 73, 2022
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8CXO
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![BU of 8cxo by Molmil](/molmil-images/mine/8cxo) | Cryo-EM structure of the unliganded mSMO-PGS2 in a lipidic environment | Descriptor: | CHOLESTEROL, Smoothened homolog, GlgA glycogen synthase chimera | Authors: | Zhang, K, Wu, H, Hoppe, N, Manglik, A, Cheng, Y. | Deposit date: | 2022-05-22 | Release date: | 2022-08-03 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Fusion protein strategies for cryo-EM study of G protein-coupled receptors. Nat Commun, 13, 2022
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3ZSY
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![BU of 3zsy by Molmil](/molmil-images/mine/3zsy) | Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design | Descriptor: | (R)-(4-CARBOXY-1,3-BENZODIOXOL-5-YL)METHYL-[[2-(CYCLOHEXYLMETHYLCARBAMOYL)PHENYL]METHYL]-METHYL-AZANIUM, ACETATE ION, INTEGRASE, ... | Authors: | Peat, T.S, Newman, J, Rhodes, D.I, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C.L, Deadman, J.J. | Deposit date: | 2011-07-01 | Release date: | 2012-07-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design. Plos One, 7, 2012
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5B1B
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![BU of 5b1b by Molmil](/molmil-images/mine/5b1b) | Bovine heart cytochrome c oxidase in the fully reduced state at 1.6 angstrom resolution | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Yano, N, Muramoto, K, Shimada, A, Takemura, S, Baba, J, Fujisawa, H, Mochizuki, M, Shinzawa-Itoh, K, Yamashita, E, Tsukihara, T, Yoshikawa, S. | Deposit date: | 2015-12-01 | Release date: | 2016-09-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Mg2+-containing Water Cluster of Mammalian Cytochrome c Oxidase Collects Four Pumping Proton Equivalents in Each Catalytic Cycle. J.Biol.Chem., 291, 2016
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8CRV
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![BU of 8crv by Molmil](/molmil-images/mine/8crv) | Crystal Structure of the Carbamate Kinase from Pseudomonas aeruginosa | Descriptor: | 1,2-ETHANEDIOL, Carbamate kinase, FORMIC ACID, ... | Authors: | Kim, Y, Skarina, T, Mesa, N, Stogios, P, Savchenko, S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2022-05-11 | Release date: | 2022-08-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structure of the Carbamate Kinase from Pseudomonas aeruginosa To Be Published
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6RV3
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![BU of 6rv3 by Molmil](/molmil-images/mine/6rv3) | Crystal structure of the human two pore domain potassium ion channel TASK-1 (K2P3.1) in a closed conformation with a bound inhibitor BAY 1000493 | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, DECYL-BETA-D-MALTOPYRANOSIDE, ... | Authors: | Rodstrom, K.E.J, Pike, A.C.W, Zhang, W, Quigley, A, Speedman, D, Mukhopadhyay, S.M.M, Shrestha, L, Chalk, R, Venkaya, S, Bushell, S.R, Tessitore, A, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2019-05-30 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A lower X-gate in TASK channels traps inhibitors within the vestibule. Nature, 582, 2020
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7UHN
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![BU of 7uhn by Molmil](/molmil-images/mine/7uhn) | Time-Resolved Structure of Metallo Beta-Lactamase L1 in a Complex with Cleaved Moxalactam (300 ms Snapshot) | Descriptor: | (2R)-2-[(R)-carboxy{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}methoxymethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-oxazine-4-carboxylic acid, Putative metallo-beta-lactamase l1 (Beta-lactamase type ii) (Ec 3.5.2.6) (Penicillinase), ZINC ION | Authors: | Wilamowski, M, Kim, Y, Sherrell, D.A, Lavens, A, Henning, R, Maltseva, N, Endres, M, Babnigg, G, Srajer, V, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2022-03-27 | Release date: | 2022-04-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Time-resolved beta-lactam cleavage by L1 metallo-beta-lactamase. Nat Commun, 13, 2022
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7UHJ
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![BU of 7uhj by Molmil](/molmil-images/mine/7uhj) | Time-Resolved Structure of Metallo Beta-Lactamase L1 in a Complex with Non-Hydrolyzed Moxalactam (60 ms Snapshot) | Descriptor: | (1R,6R,7R)-7-[(2R)-2-carboxypropanamido]-7-methoxy-3-methyl-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, Putative metallo-beta-lactamase l1 (Beta-lactamase type ii) (Ec 3.5.2.6) (Penicillinase), ZINC ION | Authors: | Wilamowski, M, Kim, Y, Sherrell, D.A, Lavens, A, Henning, R, Maltseva, N, Endres, M, Babnigg, G, Srajer, V, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2022-03-27 | Release date: | 2022-04-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Time-resolved beta-lactam cleavage by L1 metallo-beta-lactamase. Nat Commun, 13, 2022
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7UHP
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![BU of 7uhp by Molmil](/molmil-images/mine/7uhp) | Time-Resolved Structure of Metallo Beta-Lactamase L1 in a Complex with Cleaved Moxalactam (2000 ms Snapshot) | Descriptor: | (2R)-2-[(R)-carboxy{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}methoxymethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-oxazine-4-carboxylic acid, Putative metallo-beta-lactamase l1 (Beta-lactamase type ii) (Ec 3.5.2.6) (Penicillinase), ZINC ION | Authors: | Wilamowski, M, Kim, Y, Sherrell, D.A, Lavens, A, Henning, R, Maltseva, N, Endres, M, Babnigg, G, Srajer, V, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2022-03-27 | Release date: | 2022-04-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Time-resolved beta-lactam cleavage by L1 metallo-beta-lactamase. Nat Commun, 13, 2022
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7UHT
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![BU of 7uht by Molmil](/molmil-images/mine/7uht) | SSX Structure of Metallo Beta-Lactamase L1 with One Zinc in the Active Site | Descriptor: | Putative metallo-beta-lactamase l1 (Beta-lactamase type ii) (Ec 3.5.2.6) (Penicillinase), ZINC ION | Authors: | Wilamowski, M, Kim, Y, Sherrell, D.A, Lavens, A, Henning, R, Maltseva, N, Endres, M, Babnigg, G, Srajer, V, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2022-03-27 | Release date: | 2022-04-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Time-resolved beta-lactam cleavage by L1 metallo-beta-lactamase. Nat Commun, 13, 2022
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4E81
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![BU of 4e81 by Molmil](/molmil-images/mine/4e81) | |
7UHK
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![BU of 7uhk by Molmil](/molmil-images/mine/7uhk) | Time-Resolved Structure of Metallo Beta-Lactamase L1 in a Complex with Non-Hydrolyzed Moxalactam (80 ms Snapshot) | Descriptor: | (1R,6R,7R)-7-[(2R)-2-carboxypropanamido]-7-methoxy-3-methyl-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, Putative metallo-beta-lactamase l1 (Beta-lactamase type ii) (Ec 3.5.2.6) (Penicillinase), ZINC ION | Authors: | Wilamowski, M, Kim, Y, Sherrell, D.A, Lavens, A, Henning, R, Maltseva, N, Endres, M, Babnigg, G, Srajer, V, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2022-03-27 | Release date: | 2022-04-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Time-resolved beta-lactam cleavage by L1 metallo-beta-lactamase. Nat Commun, 13, 2022
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