2YNY
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![BU of 2yny by Molmil](/molmil-images/mine/2yny) | Salmonella enterica SadA 255-302 fused to GCN4 adaptors (SadAK1) | Descriptor: | GENERAL CONTROL PROTEIN GCN4, PUTATIVE INNER MEMBRANE PROTEIN | Authors: | Hartmann, M.D, Hernandez Alvarez, B, Albrecht, R, Lupas, A.N. | Deposit date: | 2012-10-20 | Release date: | 2012-12-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Complete Fiber Structures of Complex Trimeric Autotransporter Adhesins Conserved in Enterobacteria. Proc.Natl.Acad.Sci.USA, 109, 2012
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5TIF
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![BU of 5tif by Molmil](/molmil-images/mine/5tif) | x-ray structure of acyl-CoA thioesterase I, TesA, triple mutant M141L/Y145K/L146K in complex with octanoic acid | Descriptor: | Acyl-CoA thioesterase I, DI(HYDROXYETHYL)ETHER, OCTANOIC ACID (CAPRYLIC ACID) | Authors: | Thoden, J.B, Holden, H.M, Grisewood, M.J, Hernandez Lozada, N.J, Gifford, N.P, Mendez-Perez, D, Schoenberger, H.A, Allan, M.F, Pfleger, B.F, Marines, C.D. | Deposit date: | 2016-10-02 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Computational Redesign of Acyl-ACP Thioesterase with Improved Selectivity toward Medium-Chain-Length Fatty Acids. ACS Catal, 7, 2017
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6PXU
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![BU of 6pxu by Molmil](/molmil-images/mine/6pxu) | Crystal structure of human GalNAc-T12 bound to a diglycosylated peptide, Mn2+, and UDP | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, GAGATGAGAGYYITPRTGAGA, ... | Authors: | Samara, N.L, Fernandez, A.J. | Deposit date: | 2019-07-27 | Release date: | 2019-09-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.007 Å) | Cite: | The structure of the colorectal cancer-associated enzyme GalNAc-T12 reveals how nonconserved residues dictate its function. Proc.Natl.Acad.Sci.USA, 116, 2019
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6XT2
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![BU of 6xt2 by Molmil](/molmil-images/mine/6xt2) | EQADH-NADH-HEPTAFLUOROBUTANOL, P21 | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2,2,3,3,4,4,4-heptafluorobutan-1-ol, ... | Authors: | Plapp, B.V, Ramaswamy, S. | Deposit date: | 2020-07-16 | Release date: | 2020-08-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Alternative binding modes in abortive NADH-alcohol complexes of horse liver alcohol dehydrogenase. Arch.Biochem.Biophys., 701, 2021
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1H1C
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![BU of 1h1c by Molmil](/molmil-images/mine/1h1c) | |
3REZ
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![BU of 3rez by Molmil](/molmil-images/mine/3rez) | glycoprotein GPIb variant | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, Platelet glycoprotein Ib beta chain, ... | Authors: | McEwan, P.A, Yang, W, Carr, K.H, Mo, X, Zheng, X, Li, R, Emsley, J. | Deposit date: | 2011-04-05 | Release date: | 2012-02-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Quaternary organization of GPIb-IX complex and insights into Bernard-Soulier syndrome revealed by the structures of GPIb beta and a GPIb beta/GPIX chimera Blood, 118, 2011
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5NWE
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![BU of 5nwe by Molmil](/molmil-images/mine/5nwe) | Complex of H275Y mutant variant of neuraminidase from H1N1 influenza virus with oseltamivir | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Pachl, P, Pokorna, J. | Deposit date: | 2017-05-05 | Release date: | 2018-07-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Kinetic, Thermodynamic, and Structural Analysis of Drug Resistance Mutations in Neuraminidase from the 2009 Pandemic Influenza Virus. Viruses, 10, 2018
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5NZ4
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![BU of 5nz4 by Molmil](/molmil-images/mine/5nz4) | Complex of I223V mutant variant of neuraminidase from H1N1 influenza virus with oseltamivir | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Pachl, P, Pokorna, J, Karlukova, E. | Deposit date: | 2017-05-12 | Release date: | 2018-07-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Kinetic, Thermodynamic, and Structural Analysis of Drug Resistance Mutations in Neuraminidase from the 2009 Pandemic Influenza Virus. Viruses, 10, 2018
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3QN6
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5NZF
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![BU of 5nzf by Molmil](/molmil-images/mine/5nzf) | Complex of H275Y/I223V mutant variant of neuraminidase from H1N1 influenza virus with oseltamivir | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Pachl, P, Pokorna, J. | Deposit date: | 2017-05-14 | Release date: | 2018-07-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Kinetic, Thermodynamic, and Structural Analysis of Drug Resistance Mutations in Neuraminidase from the 2009 Pandemic Influenza Virus. Viruses, 10, 2018
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5NZN
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![BU of 5nzn by Molmil](/molmil-images/mine/5nzn) | Complex of H275Y/S247N mutant variant of neuraminidase from H1N1 influenza virus with oseltamivir | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Pachl, P, Pokorna, J. | Deposit date: | 2017-05-14 | Release date: | 2018-07-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Kinetic, Thermodynamic, and Structural Analysis of Drug Resistance Mutations in Neuraminidase from the 2009 Pandemic Influenza Virus. Viruses, 10, 2018
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5NZE
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![BU of 5nze by Molmil](/molmil-images/mine/5nze) | Complex of S247N mutant variant of neuraminidase from H1N1 influenza virus with oseltamivir | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Pachl, P, Pokorna, J, Hejdanek, J. | Deposit date: | 2017-05-13 | Release date: | 2018-07-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Kinetic, Thermodynamic, and Structural Analysis of Drug Resistance Mutations in Neuraminidase from the 2009 Pandemic Influenza Virus. Viruses, 10, 2018
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5TIE
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![BU of 5tie by Molmil](/molmil-images/mine/5tie) | x-ray structure of acyl-CoA thioesterase I, TesA, mutant M141L/Y145K/L146K at pH 7.5 in complex with octanoic acid | Descriptor: | Acyl-CoA thioesterase I, OCTANOIC ACID (CAPRYLIC ACID) | Authors: | Thoden, J.B, Holden, H.M, Grisewood, M.J, Hernandez Lozada, N.J, Gifford, N.P, Mendez-Perez, D, Schoenberger, H.A, Allan, M.F, Pfleger, B.F, Marines, C.D. | Deposit date: | 2016-10-02 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Computational Redesign of Acyl-ACP Thioesterase with Improved Selectivity toward Medium-Chain-Length Fatty Acids. ACS Catal, 7, 2017
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3RFE
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![BU of 3rfe by Molmil](/molmil-images/mine/3rfe) | Crystal structure of glycoprotein GPIb ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Platelet glycoprotein Ib beta chain, ... | Authors: | McEwan, P.A, Yang, W, Carr, K.H, Mo, X, Zheng, X, Li, R, Emsley, J. | Deposit date: | 2011-04-06 | Release date: | 2011-12-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.245 Å) | Cite: | Quaternary organization of GPIb-IX complex and insights into Bernard-Soulier syndrome revealed by the structures of GPIbbeta and a GPIbbeta/GPIX chimer Blood, 118, 2011
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3QPG
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![BU of 3qpg by Molmil](/molmil-images/mine/3qpg) | |
6KBN
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![BU of 6kbn by Molmil](/molmil-images/mine/6kbn) | Crystal structure of Vac8 (del 19-33) bound to Atg13 | Descriptor: | Autophagy-related protein 13, Vacuolar protein 8 | Authors: | Park, J, Lee, C. | Deposit date: | 2019-06-25 | Release date: | 2019-11-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Quaternary structures of Vac8 differentially regulate the Cvt and PMN pathways. Autophagy, 16, 2020
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5ZST
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![BU of 5zst by Molmil](/molmil-images/mine/5zst) | |
5E0J
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![BU of 5e0j by Molmil](/molmil-images/mine/5e0j) | 1.20 A resolution structure of Norovirus 3CL protease in complex with a triazole-based macrocyclic (21-mer) inhibitor | Descriptor: | (phenylmethyl) ~{N}-[(12~{S},15~{S},18~{S})-15-(cyclohexylmethyl)-12-(hydroxymethyl)-9,14,17-tris(oxidanylidene)-1,8,13,16,21,22-hexazabicyclo[18.2.1]tricosa-20(23),21-dien-18-yl]carbamate, CHLORIDE ION, Norovirus 3C-like protease | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Weerawarna, P.M, Kim, Y, Kankanamalage, A.C.G, Damalanka, V.C, Lushington, G.H, Alliston, K.R, Chang, K.-O, Groutas, W.C. | Deposit date: | 2015-09-28 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structure-based design and synthesis of triazole-based macrocyclic inhibitors of norovirus protease: Structural, biochemical, spectroscopic, and antiviral studies. Eur.J.Med.Chem., 119, 2016
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6HAZ
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![BU of 6haz by Molmil](/molmil-images/mine/6haz) | Crystal structure of the bromodomain of human SMARCA2 in complex with SMARCA-BD ligand | Descriptor: | 2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol, Probable global transcription activator SNF2L2, ZINC ION | Authors: | Bader, G, Steurer, S, Weiss-Puxbaum, A, Zoephel, A, Roy, M, Ciulli, A. | Deposit date: | 2018-08-09 | Release date: | 2019-06-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design. Nat.Chem.Biol., 15, 2019
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4XOJ
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![BU of 4xoj by Molmil](/molmil-images/mine/4xoj) | Structure of bovine trypsin in complex with analogues of sunflower inhibitor 1 (SFTI-1) | Descriptor: | 1,2-ETHANEDIOL, AMMONIUM ION, CALCIUM ION, ... | Authors: | Golik, P, Malicki, S, Grudnik, P, Karna, N, Debowski, D, Legowska, A, Wladyka, B, Gitlin, A, Brzozowski, K, Dubin, G, Rolka, K. | Deposit date: | 2015-01-16 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (0.91 Å) | Cite: | Investigation of Serine-Proteinase-Catalyzed Peptide Splicing in Analogues of Sunflower Trypsin Inhibitor 1 (SFTI-1). Chembiochem, 16, 2015
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3MYW
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![BU of 3myw by Molmil](/molmil-images/mine/3myw) | The Bowman-Birk type inhibitor from mung bean in ternary complex with porcine trypsin | Descriptor: | Bowman-Birk type trypsin inhibitor, CALCIUM ION, Trypsin | Authors: | Engh, R.A, Bode, W, Huber, R, Lin, G, Chi, C. | Deposit date: | 2010-05-11 | Release date: | 2010-12-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The 0.25-nm X-ray structure of the Bowman-Birk-type inhibitor from mung bean in ternary complex with porcine trypsin. Eur.J.Biochem., 212, 1993
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5ZSK
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5ZSP
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![BU of 5zsp by Molmil](/molmil-images/mine/5zsp) | NifS from Hydrogenimonas thermophila | Descriptor: | Cysteine desulfurase | Authors: | Nakamura, R, Fujishiro, T, Takahashi, Y. | Deposit date: | 2018-04-29 | Release date: | 2019-05-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Snapshots of PLP-substrate and PLP-product external aldimines as intermediates in two types of cysteine desulfurase enzymes. Febs J., 287, 2020
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5ZSO
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![BU of 5zso by Molmil](/molmil-images/mine/5zso) | SufS from Bacillus subtilis, soaked with L-cysteine for 90 sec | Descriptor: | Cysteine desulfurase SufS, DI(HYDROXYETHYL)ETHER, N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-CYSTEINE | Authors: | Nakamura, R, Fujishiro, T, Takahashi, Y. | Deposit date: | 2018-04-29 | Release date: | 2019-05-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Snapshots of PLP-substrate and PLP-product external aldimines as intermediates in two types of cysteine desulfurase enzymes. Febs J., 287, 2020
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6U85
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![BU of 6u85 by Molmil](/molmil-images/mine/6u85) | |