4M9S
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![BU of 4m9s by Molmil](/molmil-images/mine/4m9s) | crystal structure of CED-4 bound CED-3 fragment | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CED-3 fragment, Cell death protein 4, ... | Authors: | Huang, W.J, Jinag, T.Y, Choi, W.Y, Wang, J.W, Shi, Y.G. | Deposit date: | 2013-08-15 | Release date: | 2013-10-23 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.207 Å) | Cite: | Mechanistic insights into CED-4-mediated activation of CED-3. Genes Dev., 27, 2013
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6OZP
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8F67
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![BU of 8f67 by Molmil](/molmil-images/mine/8f67) | Crystal structure of the refolded Penicillin Binding Protein 5 (PBP5) of Enterococcus faecium | Descriptor: | Pbp5, SULFATE ION | Authors: | D'Andrea, E.D, Schoenle, M.V, Choy, M.S, Peti, W, Page, R. | Deposit date: | 2022-11-16 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.59 Å) | Cite: | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam Antibiotics Nat Commun, 2023
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8F3T
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![BU of 8f3t by Molmil](/molmil-images/mine/8f3t) | Crystal structure of Penicillin Binding Protein 5 (PBP5) T485M T499I V629E variant apo form from Enterococcus faecium | Descriptor: | Penicillin binding protein 5, SODIUM ION, SULFATE ION | Authors: | D'Andrea, E.D, Choy, M.S, Schoenle, M.V, Page, R, Peti, W. | Deposit date: | 2022-11-10 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam Antibiotics Nat Commun, 2023
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8F3I
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![BU of 8f3i by Molmil](/molmil-images/mine/8f3i) | Crystal structure of Penicillin Binding Protein 5 (PBP5) S466 insertion variant penicillin bound form from Enterococcus faecium | Descriptor: | OPEN FORM - PENICILLIN G, Penicillin binding protein 5, SULFATE ION | Authors: | D'Andrea, E.D, Choy, M.S, Schoenle, M.V, Page, R, Peti, W. | Deposit date: | 2022-11-10 | Release date: | 2023-07-05 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam Antibiotics Nat Commun, 2023
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5X7L
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2N08
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![BU of 2n08 by Molmil](/molmil-images/mine/2n08) | NMR structure of a short hydrophobic 11mer peptide in 25 mM SDS solution | Descriptor: | Short hydrophobic peptide with cyclic constraints | Authors: | Hoang, H.N, Song, K, Hill, T.A, Derksen, D.R, Edmonds, D.J, Kok, W.M, Limberakis, C, Liras, S, Loria, P.M, Mascitti, V, Mathiowetz, A.M, Mitchell, J.M, Piotrowski, D.W, Price, D.A, Stanton, R.V, Suen, J.Y, Withka, J.M, Griffith, D.A, Fairlie, D.P. | Deposit date: | 2015-03-04 | Release date: | 2015-04-15 | Last modified: | 2015-05-27 | Method: | SOLUTION NMR | Cite: | Short Hydrophobic Peptides with Cyclic Constraints Are Potent Glucagon-like Peptide-1 Receptor (GLP-1R) Agonists. J.Med.Chem., 58, 2015
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8F3Z
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![BU of 8f3z by Molmil](/molmil-images/mine/8f3z) | Crystal structure of Penicillin Binding Protein 5 (PBP5) S422A variant apo form from Enterococcus faecium | Descriptor: | Penicillin binding protein 5, SULFATE ION | Authors: | Schoenle, M.V, D'Andrea, E.D, Choy, M.S, Peti, W, Page, R. | Deposit date: | 2022-11-10 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam Antibiotics Nat Commun, 2023
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8F3U
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![BU of 8f3u by Molmil](/molmil-images/mine/8f3u) | Crystal structure of Penicillin Binding Protein 5 (PBP5) T485M T499I V629E variant penicillin bound form from Enterococcus faecium | Descriptor: | OPEN FORM - PENICILLIN G, Penicillin binding protein 5, SULFATE ION | Authors: | D'Andrea, E.D, Choy, M.S, Schoenle, M.V, Page, R, Peti, W. | Deposit date: | 2022-11-10 | Release date: | 2023-07-05 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam Antibiotics Nat Commun, 2023
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2N0I
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![BU of 2n0i by Molmil](/molmil-images/mine/2n0i) | NMR solution structure for di-sulfide 11mer peptide | Descriptor: | di-sulfide 11mer peptide | Authors: | Hoang, H.N, Song, K, Hill, T.A, Derksen, D.R, Edmonds, D.J, Kok, W.M, Limberakis, C, Liras, S, Loria, P.M, Mascitti, V, Mathiowetz, A.M, Mitchell, J.M, Piotrowski, D.W, Price, D.A, Stanton, R.V, Suen, J.Y, Withka, J.M, Griffith, D.A, Fairlie, D.P. | Deposit date: | 2015-03-09 | Release date: | 2015-04-15 | Last modified: | 2024-04-03 | Method: | SOLUTION NMR | Cite: | Short Hydrophobic Peptides with Cyclic Constraints Are Potent Glucagon-like Peptide-1 Receptor (GLP-1R) Agonists. J.Med.Chem., 58, 2015
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8EPN
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7C2I
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![BU of 7c2i by Molmil](/molmil-images/mine/7c2i) | Crystal structure of nsp16-nsp10 heterodimer from SARS-CoV-2 in complex with SAM (with additional SAM during crystallization) | Descriptor: | 2'-O-methyltransferase, Non-structural protein 10, S-ADENOSYLMETHIONINE, ... | Authors: | Lin, S, Chen, H, Ye, F, Chen, Z.M, Yang, F.L, Zheng, Y, Cao, Y, Qiao, J.X, Yang, S.Y, Lu, G.W. | Deposit date: | 2020-05-07 | Release date: | 2020-05-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of SARS-CoV-2 nsp10/nsp16 2'-O-methylase and its implication on antiviral drug design. Signal Transduct Target Ther, 5, 2020
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6OZS
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6AKR
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![BU of 6akr by Molmil](/molmil-images/mine/6akr) | Crystal structure of the PDE4D catalytic domain in complex with osthole | Descriptor: | 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one, ZINC ION, cAMP-specific 3',5'-cyclic phosphodiesterase 4D | Authors: | Wang, S, Huo, Y.W, Xie, Y. | Deposit date: | 2018-09-03 | Release date: | 2020-02-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.326 Å) | Cite: | Airway relaxation mechanisms and structural basis of osthole for improving lung function in asthma. Sci.Signal., 13, 2020
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2DHD
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6U89
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![BU of 6u89 by Molmil](/molmil-images/mine/6u89) | RNA duplex, bound with TNA monomer | Descriptor: | 2-azanyl-9-[(2~{R},3~{R},4~{S})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]-1~{H}-purin-6-one, RNA (5'-R(*(LCC)P*(TLN)P*(LCG)P*UP*AP*CP*A)-3') | Authors: | Szostak, J.W, Zhang, W. | Deposit date: | 2019-09-04 | Release date: | 2020-12-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Structural interpretation of the effects of threo-nucleotides on nonenzymatic template-directed polymerization. Nucleic Acids Res., 49, 2021
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8F3G
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![BU of 8f3g by Molmil](/molmil-images/mine/8f3g) | Crystal structure of Penicillin Binding Protein 5 (PBP5) T485M variant in the penicillin bound form from Enterococcus faecium | Descriptor: | OPEN FORM - PENICILLIN G, Penicillin binding protein 5, SULFATE ION | Authors: | D'Andrea, E.D, Choy, M.S, Schoenle, M.V, Page, R, Peti, W. | Deposit date: | 2022-11-10 | Release date: | 2023-07-05 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.59 Å) | Cite: | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam Antibiotics Nat Commun, 2023
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4LUV
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![BU of 4luv by Molmil](/molmil-images/mine/4luv) | Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein Interactions | Descriptor: | 1-(3-methylphenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid, 5-(3-chloro-4-fluorophenyl)furan-2-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit | Authors: | Feldkamp, M.D, Frank, A.O, Kennedy, J.P, Waterson, A.G, Olejnczak, E.O, Pelz, N.F, Patrone, J.D, Vangamudi, B, Camper, D.V, Rossanese, O.W, Fesik, S.W, Chazin, W.J. | Deposit date: | 2013-07-25 | Release date: | 2013-12-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach. J.Med.Chem., 56, 2013
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7C7D
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![BU of 7c7d by Molmil](/molmil-images/mine/7c7d) | Crystal structure of the catalytic unit of thermostable GH87 alpha-1,3-glucanase from Streptomyces thermodiastaticus strain HF3-3 | Descriptor: | CALCIUM ION, PENTAETHYLENE GLYCOL, alpha-1,3-glucanase | Authors: | Itoh, T, Panti, N, Toyotake, Y, Hayashi, J, Suyotha, W, Yano, S, Wakayama, M, Hibi, T. | Deposit date: | 2020-05-25 | Release date: | 2020-11-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Crystal structure of the catalytic unit of thermostable GH87 alpha-1,3-glucanase from Streptomyces thermodiastaticus strain HF3-3. Biochem.Biophys.Res.Commun., 533, 2020
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5M8U
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![BU of 5m8u by Molmil](/molmil-images/mine/5m8u) | PCE reductive dehalogenase from S. multivorans in complex with 4-bromophenol | Descriptor: | 4-BROMOPHENOL, BENZAMIDINE, GLYCEROL, ... | Authors: | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | Deposit date: | 2016-10-30 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer. Nat Commun, 8, 2017
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8F3Q
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![BU of 8f3q by Molmil](/molmil-images/mine/8f3q) | Crystal structure of Penicillin Binding Protein 5 (PBP5) Y460A variant apo form from Enterococcus faecium | Descriptor: | Penicillin binding protein 5, SULFATE ION | Authors: | D'Andrea, E.D, Schoenle, M.V, Choy, M.S, Page, R, Peti, W. | Deposit date: | 2022-11-10 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam Antibiotics Nat Commun, 2023
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5M8M
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![BU of 5m8m by Molmil](/molmil-images/mine/5m8m) | Crystal structure of human tyrosinase related protein 1 in complex with kojic acid | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 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, ... | Authors: | Lai, X, Soler-Lopez, M, Wichers, H.J, Dijkstra, B.W. | Deposit date: | 2016-10-29 | Release date: | 2017-07-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure of Human Tyrosinase Related Protein 1 Reveals a Binuclear Zinc Active Site Important for Melanogenesis. Angew. Chem. Int. Ed. Engl., 56, 2017
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5M8Z
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![BU of 5m8z by Molmil](/molmil-images/mine/5m8z) | PCE reductive dehalogenase from S. multivorans in complex with 2,3-difluorophenol | Descriptor: | 2,3-bis(fluoranyl)phenol, BENZAMIDINE, GLYCEROL, ... | Authors: | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | Deposit date: | 2016-10-30 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.659 Å) | Cite: | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer. Nat Commun, 8, 2017
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5XFZ
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![BU of 5xfz by Molmil](/molmil-images/mine/5xfz) | Crystal structure of a novel PET hydrolase R103G/S131A mutant from Ideonella sakaiensis 201-F6 | Descriptor: | GLYCEROL, Poly(ethylene terephthalate) hydrolase, SULFATE ION | Authors: | Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2017-04-11 | Release date: | 2017-12-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural insight into catalytic mechanism of PET hydrolase Nat Commun, 8, 2017
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5M9M
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![BU of 5m9m by Molmil](/molmil-images/mine/5m9m) | Human angiogenin PD variant Q77P | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Angiogenin, ... | Authors: | Bradshaw, W.J, Rehman, S, Pham, T.T.K, Thiyagarajan, N, Lee, R.L, Subramanian, V, Acharya, K.R. | Deposit date: | 2016-11-01 | Release date: | 2017-02-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural insights into human angiogenin variants implicated in Parkinson's disease and Amyotrophic Lateral Sclerosis. Sci Rep, 7, 2017
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