8AGY
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5D5Z
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![BU of 5d5z by Molmil](/molmil-images/mine/5d5z) | Structure of Chaetomium thermophilum Skn7 coiled-coil domain, crystal form II | Descriptor: | Putative transcription factor | Authors: | Neudegger, T, Verghese, J, Hayer-Hartl, M, Bracher, A, Hartl, F.U. | Deposit date: | 2015-08-11 | Release date: | 2015-12-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of human heat-shock transcription factor 1 in complex with DNA. Nat.Struct.Mol.Biol., 23, 2016
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1GPI
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3B5F
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![BU of 3b5f by Molmil](/molmil-images/mine/3b5f) | Crystal Structure of a Minimally Hinged Hairpin Ribozyme Incorporating the Ade38Dap Mutation and a 2',5' Phosphodiester Linkage at the Active Site | Descriptor: | 29-mer Loop A and Loop B Ribozyme strand, COBALT HEXAMMINE(III), Loop A Substrate strand, ... | Authors: | MacElrevey, C, Krucinska, J, Wedekind, J.E. | Deposit date: | 2007-10-25 | Release date: | 2008-08-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural effects of nucleobase variations at key active site residue Ade38 in the hairpin ribozyme. Rna, 14, 2008
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8JTS
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![BU of 8jts by Molmil](/molmil-images/mine/8jts) | hOCT1 in complex with metformin in outward open conformation | Descriptor: | Metformin, Solute carrier family 22 member 1 | Authors: | Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X. | Deposit date: | 2023-06-22 | Release date: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.14 Å) | Cite: | Structural insights into human organic cation transporter 1 transport and inhibition. Cell Discov, 10, 2024
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5IHW
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![BU of 5ihw by Molmil](/molmil-images/mine/5ihw) | The crystal structure of SdrE from staphylococcus aureus | Descriptor: | Serine-aspartate repeat-containing protein E | Authors: | Zhang, S, Wei, J, Wu, S, Zhang, X, Luo, M, Wang, D. | Deposit date: | 2016-02-29 | Release date: | 2017-03-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | The crystal structure of SdrE from staphylococcus aureus To Be Published
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8JU0
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![BU of 8ju0 by Molmil](/molmil-images/mine/8ju0) | hOCT1 in complex with spironolactone in inward facing occluded conformation | Descriptor: | SPIRONOLACTONE, Solute carrier family 22 member 1 | Authors: | Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X. | Deposit date: | 2023-06-23 | Release date: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | Structural insights into human organic cation transporter 1 transport and inhibition. Cell Discov, 10, 2024
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8JTW
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![BU of 8jtw by Molmil](/molmil-images/mine/8jtw) | hOCT1 in complex with nb5660 in inward facing partially open 1 conformation | Descriptor: | Solute carrier family 22 member 1, nanobody 56 | Authors: | Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X. | Deposit date: | 2023-06-22 | Release date: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.23 Å) | Cite: | Structural insights into human organic cation transporter 1 transport and inhibition. Cell Discov, 10, 2024
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7L8I
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![BU of 7l8i by Molmil](/molmil-images/mine/7l8i) | SARS-CoV-2 Main Protease (Mpro) in Complex with Rupintrivir (P21) | Descriptor: | 3C-like proteinase, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER | Authors: | Lockbaum, G.J, Henes, M, Lee, J.M, Timm, J, Nalivaika, E.A, Yilmaz, N.K, Thompson, P.R, Schiffer, C.A. | Deposit date: | 2020-12-31 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Pan-3C Protease Inhibitor Rupintrivir Binds SARS-CoV-2 Main Protease in a Unique Binding Mode. Biochemistry, 60, 2021
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3HSG
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![BU of 3hsg by Molmil](/molmil-images/mine/3hsg) | Crystal structure of E. coli HPPK(Y53A) in complex with MgAMPCPP | Descriptor: | ACETATE ION, CHLORIDE ION, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ... | Authors: | Blaszczyk, J, Li, Y, Yan, H, Ji, X. | Deposit date: | 2009-06-10 | Release date: | 2010-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Pterin-binding site mutation Y53A, N55A or F123A and activity of E. coli HPPK To be Published
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8OGR
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![BU of 8ogr by Molmil](/molmil-images/mine/8ogr) | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry B07 | Descriptor: | Cyclic di-AMP synthase CdaA, MAGNESIUM ION, N-[3-(diethylamino)phenyl]ethanamide | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | Deposit date: | 2023-03-20 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry B07 To Be Published
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8OGV
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![BU of 8ogv by Molmil](/molmil-images/mine/8ogv) | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry C08 | Descriptor: | (3S)-3-hydroxy-2-methyl-2,3-dihydro-1H-isoindol-1-one, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | Deposit date: | 2023-03-20 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry C08 To Be Published
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8JTX
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![BU of 8jtx by Molmil](/molmil-images/mine/8jtx) | hOCT1 in complex with nb5660 in inward facing fully open conformation | Descriptor: | Solute carrier family 22 member 1, nanobody 56 | Authors: | Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X. | Deposit date: | 2023-06-22 | Release date: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | Structural insights into human organic cation transporter 1 transport and inhibition. Cell Discov, 10, 2024
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8OGZ
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![BU of 8ogz by Molmil](/molmil-images/mine/8ogz) | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry D06 | Descriptor: | (3-methoxyphenyl)-pyrrol-1-yl-methanone, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | Deposit date: | 2023-03-20 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry D06 To Be Published
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8JTZ
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![BU of 8jtz by Molmil](/molmil-images/mine/8jtz) | hOCT1 in complex with spironolactone in outward facing partially occluded conformation | Descriptor: | SPIRONOLACTONE, Solute carrier family 22 member 1 | Authors: | Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X. | Deposit date: | 2023-06-22 | Release date: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | Structural insights into human organic cation transporter 1 transport and inhibition. Cell Discov, 10, 2024
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8OHJ
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![BU of 8ohj by Molmil](/molmil-images/mine/8ohj) | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry G08 | Descriptor: | Cyclic di-AMP synthase CdaA, MAGNESIUM ION, N-ethyl-2-{[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | Deposit date: | 2023-03-21 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry G08 To Be Published
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3BNO
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7L8J
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![BU of 7l8j by Molmil](/molmil-images/mine/7l8j) | SARS-CoV-2 Main Protease (Mpro) in Complex with Rupintrivir (P21212) | Descriptor: | 3C-like proteinase, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER | Authors: | Lockbaum, G.J, Henes, M, Lee, J.M, Timm, J, Nalivaika, E.A, Yilmaz, N.K, Thompson, P.R, Schiffer, C.A. | Deposit date: | 2020-12-31 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Pan-3C Protease Inhibitor Rupintrivir Binds SARS-CoV-2 Main Protease in a Unique Binding Mode. Biochemistry, 60, 2021
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7L8H
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![BU of 7l8h by Molmil](/molmil-images/mine/7l8h) | EV68 3C protease (3Cpro) in Complex with Rupintrivir | Descriptor: | 3C Protease, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER | Authors: | Lockbaum, G.J, Henes, M, Lee, J.M, Timm, J, Nalivaika, E.A, Yilmaz, N.K, Thompson, P.R, Schiffer, C.A. | Deposit date: | 2020-12-31 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Pan-3C Protease Inhibitor Rupintrivir Binds SARS-CoV-2 Main Protease in a Unique Binding Mode. Biochemistry, 60, 2021
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8KH2
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![BU of 8kh2 by Molmil](/molmil-images/mine/8kh2) | Crystal structure of horse-spleen L-ferritin fused with amyloid beta peptide (1-42). | Descriptor: | CADMIUM ION, CHLORIDE ION, Ferritin light chain,Amyloid-beta precursor protein (Fragment), ... | Authors: | Maity, B, Tian, J, Abe, S, Ueno, T. | Deposit date: | 2023-08-21 | Release date: | 2024-04-03 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fusion of amyloid beta with ferritin yields an isolated oligomeric beta-sheet-rich aggregate inside the ferritin cage. Biomater Sci, 12, 2024
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3BU5
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8JTT
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![BU of 8jtt by Molmil](/molmil-images/mine/8jtt) | hOCT1 in complex with metformin in outward occluded conformation | Descriptor: | Metformin, Solute carrier family 22 member 1 | Authors: | Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X. | Deposit date: | 2023-06-22 | Release date: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.87 Å) | Cite: | Structural insights into human organic cation transporter 1 transport and inhibition. Cell Discov, 10, 2024
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1KAS
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![BU of 1kas by Molmil](/molmil-images/mine/1kas) | BETA-KETOACYL-ACP SYNTHASE II FROM ESCHERICHIA COLI | Descriptor: | BETA-KETOACYL ACP SYNTHASE II | Authors: | Huang, W, Jia, J, Edwards, P, Dehesh, K, Schneider, G, Lindqvist, Y. | Deposit date: | 1997-12-22 | Release date: | 1999-03-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of beta-ketoacyl-acyl carrier protein synthase II from E.coli reveals the molecular architecture of condensing enzymes. EMBO J., 17, 1998
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5DF8
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![BU of 5df8 by Molmil](/molmil-images/mine/5df8) | CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 3 FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH CEFOPERAZONE | Descriptor: | (2R,4R,5R)-2-[(1R)-1-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoethyl]-5-methyl-1,3-thiazinane-4-carboxylic acid, CHLORIDE ION, Cell division protein, ... | Authors: | Ren, J, Nettleship, J.E, Males, A, Stuart, D.I, Owens, R.J. | Deposit date: | 2015-08-26 | Release date: | 2016-01-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of penicillin-binding protein 3 in complexes with azlocillin and cefoperazone in both acylated and deacylated forms. Febs Lett., 590, 2016
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1HAY
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![BU of 1hay by Molmil](/molmil-images/mine/1hay) | Snapshots of serine protease catalysis: (B) acyl-enzyme intermediate between porcine pancreatic elastase and human beta-casomorphin-7 jumped to pH 10 for 10 seconds | Descriptor: | CALCIUM ION, ELASTASE 1, SULFATE ION | Authors: | Wilmouth, R.C, Edman, K, Neutze, R, Wright, P.A, Clifton, I.J, Schneider, T.R, Schofield, C.J, Hajdu, J. | Deposit date: | 2001-04-10 | Release date: | 2001-08-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | X-Ray Snapshots of Serine Protease Catalysis Reveal a Tetrahedral Intermediate Nat.Struct.Biol., 8, 2001
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