6P4R
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![BU of 6p4r by Molmil](/molmil-images/mine/6p4r) | Salmonella typhi PltB Homopentamer N29K Mutant with Neu5Ac-alpha-2-6-Gal-beta-1-4-GlcNAc glycans | Descriptor: | N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Putative pertussis-like toxin subunit | Authors: | Nguyen, T, Milano, S.K, Hillpot, E.C, Yang, Y.A, Song, J. | Deposit date: | 2019-05-28 | Release date: | 2020-03-25 | Last modified: | 2020-08-05 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Salmonella Typhoid Toxin PltB Subunit and Its Non-typhoidal Salmonella Ortholog Confer Differential Host Adaptation and Virulence. Cell Host Microbe, 27, 2020
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2BZL
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![BU of 2bzl by Molmil](/molmil-images/mine/2bzl) | CRYSTAL STRUCTURE OF THE HUMAN PROTEIN TYROSINE PHOSPHATASE N14 AT 1. 65 A RESOLUTION | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, TYROSINE-PROTEIN PHOSPHATASE, ... | Authors: | Debreczeni, J.E, Barr, A, Eswaran, J, Das, S, Burgess, N, Longman, E, Fedorov, O, Gileadi, O, von Delft, F, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, Knapp, S. | Deposit date: | 2005-08-18 | Release date: | 2005-09-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal Structure of Human Protein Tyrosine Phosphatase 14 (Ptpn14) at 1.65-A Resolution. Proteins, 63, 2006
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7E6N
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![BU of 7e6n by Molmil](/molmil-images/mine/7e6n) | Crystal structure of HCoV-NL63 3C-like protease,pH5.2 | Descriptor: | 3C-like proteinase | Authors: | Gao, H.X, Zhang, Y.T, Zhou, X.L, Zhong, F.L, Li, J, Zhang, J. | Deposit date: | 2021-02-22 | Release date: | 2021-10-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8413 Å) | Cite: | Crystal structures of human coronavirus NL63 main protease at different pH values Acta Crystallogr.,Sect.F, 77, 2021
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6B6I
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![BU of 6b6i by Molmil](/molmil-images/mine/6b6i) | 2.4A resolution structure of human Norovirus GII.4 protease | Descriptor: | 3C-like protease | Authors: | Muzzarelli, K.M, Kuiper, B.D, Spellmon, N.S, Hackett, J, Brunzelle, J.S, Kovari, I.A, Amblard, F, Yang, Z, Schinazi, R.F, Kovari, L.C. | Deposit date: | 2017-10-02 | Release date: | 2018-10-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Structural and Antiviral Studies of the Human Norovirus GII.4 Protease. Biochemistry, 58, 2019
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6P6M
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![BU of 6p6m by Molmil](/molmil-images/mine/6p6m) | HCV NS3/4A protease domain of genotype 1a C159 in complex with glecaprevir | Descriptor: | (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide, CHLORIDE ION, ... | Authors: | Timm, J, Schiffer, C.A. | Deposit date: | 2019-06-04 | Release date: | 2020-06-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | HCV NS3/4A protease domain of genotype 1a in complex with glecaprevir To Be Published
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6P6R
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![BU of 6p6r by Molmil](/molmil-images/mine/6p6r) | HCV NS3/4A protease domain of genotype 1a3a chimera in complex with glecaprevir | Descriptor: | (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide, 1,2-ETHANEDIOL, ... | Authors: | Timm, J, Schiffer, C.A. | Deposit date: | 2019-06-04 | Release date: | 2020-06-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.749 Å) | Cite: | Molecular mechanism of pan-genotypic HCV NS3/4A protease inhibition by glecaprevir and characterization of genotype-specific structural differences To Be Published
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4XFT
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![BU of 4xft by Molmil](/molmil-images/mine/4xft) | Structure of IL-18 SER Mutant III | Descriptor: | DIMETHYL SULFOXIDE, Interleukin-18 | Authors: | Krumm, B.E, Meng, X, Xiang, Y, Deng, J. | Deposit date: | 2014-12-29 | Release date: | 2015-06-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystallization of interleukin-18 for structure-based inhibitor design. Acta Crystallogr.,Sect.F, 71, 2015
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8PP7
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![BU of 8pp7 by Molmil](/molmil-images/mine/8pp7) | human RYBP-PRC1 bound to mononucleosome | Descriptor: | DNA (215-mer), E3 ubiquitin-protein ligase RING2, Histone H2A, ... | Authors: | Ciapponi, M, Benda, C, Mueller, J. | Deposit date: | 2023-07-06 | Release date: | 2024-03-27 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (2.91 Å) | Cite: | Structural basis of the histone ubiquitination read-write mechanism of RYBP-PRC1. Nat.Struct.Mol.Biol., 2024
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4XIX
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![BU of 4xix by Molmil](/molmil-images/mine/4xix) | Carbonic anhydrase Cah3 from Chlamydomonas reinhardtii in complex with phosphate. | Descriptor: | Carbonic anhydrase, alpha type, DIHYDROGENPHOSPHATE ION, ... | Authors: | Hainzl, T, Grundstrom, C, Benlloch, R, Shevela, D, Shutova, T, Messinger, J, Samuelsson, G, Sauer-Eriksson, A.E. | Deposit date: | 2015-01-08 | Release date: | 2015-02-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure and Functional Characterization of Photosystem II-Associated Carbonic Anhydrase CAH3 in Chlamydomonas reinhardtii. Plant Physiol., 167, 2015
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4XKL
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![BU of 4xkl by Molmil](/molmil-images/mine/4xkl) | Crystal structure of NDP52 ZF2 in complex with mono-ubiquitin | Descriptor: | ACETATE ION, Calcium-binding and coiled-coil domain-containing protein 2, GLYCEROL, ... | Authors: | Xie, X, Li, F, Wang, Y, Lin, Z, Chen, X, Liu, J, Pan, L. | Deposit date: | 2015-01-12 | Release date: | 2015-11-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular basis of ubiquitin recognition by the autophagy receptor CALCOCO2 Autophagy, 11, 2015
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4XBX
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![BU of 4xbx by Molmil](/molmil-images/mine/4xbx) | Crystal Structure of the L74F/M78F/L103V/L114V/I116V/F139V/L147V mutant of LEH | Descriptor: | Limonene-1,2-epoxide hydrolase | Authors: | Kong, X.D, Sun, Z, Xu, J.H, Reetz, M.T, Zhou, J. | Deposit date: | 2014-12-17 | Release date: | 2015-07-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution Angew.Chem.Int.Ed.Engl., 54, 2015
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6P3S
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![BU of 6p3s by Molmil](/molmil-images/mine/6p3s) | |
6PCR
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![BU of 6pcr by Molmil](/molmil-images/mine/6pcr) | E. coli 50S ribosome bound to compound 40o | Descriptor: | (2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl (2-bromopyridin-4-yl)carbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ... | Authors: | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | Deposit date: | 2019-06-18 | Release date: | 2020-06-17 | Last modified: | 2020-10-07 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Synthetic group A streptogramin antibiotics that overcome Vat resistance. Nature, 586, 2020
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6PEP
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![BU of 6pep by Molmil](/molmil-images/mine/6pep) | Focussed refinement of InvGN0N1:SpaPQR:PrgIJ from the Salmonella SPI-1 injectisome needle complex | Descriptor: | Protein InvG, Protein PrgH, Protein PrgI, ... | Authors: | Hu, J, Worrall, L.J, Strynadka, N.C.J. | Deposit date: | 2019-06-20 | Release date: | 2019-10-23 | Last modified: | 2020-01-08 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | T3S injectisome needle complex structures in four distinct states reveal the basis of membrane coupling and assembly. Nat Microbiol, 4, 2019
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6P3R
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![BU of 6p3r by Molmil](/molmil-images/mine/6p3r) | |
8PP6
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![BU of 8pp6 by Molmil](/molmil-images/mine/8pp6) | |
6P3W
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![BU of 6p3w by Molmil](/molmil-images/mine/6p3w) | |
6P4E
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![BU of 6p4e by Molmil](/molmil-images/mine/6p4e) | Leishmania mexicana CPB in complex with an aza-nitrile inhibitor | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-tert-butyl-N-[(2S)-1-(2-cyano-1,2-dimethylhydrazinyl)-4-methyl-1-oxopentan-2-yl]-1-methyl-1H-pyrazole-5-carboxamide (non-preferred name), ... | Authors: | Ribeiro, J.F.R, Li, C, De Vita, D, Emsley, J, Montanari, C.A. | Deposit date: | 2019-05-27 | Release date: | 2020-06-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | High Resolution X-Ray Crystal Structures of LmCPB2.8 Co-Crystalized with Dipeptidyl Aza-nitrile Inhibitor and Structure Activity Relationships To Be Published
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4XAP
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![BU of 4xap by Molmil](/molmil-images/mine/4xap) | Crystal structure of aldo-keto reductase from Sinorhizobium meliloti 1021 | Descriptor: | Aldo-keto reductase | Authors: | Gasiorowska, O.A, Handing, K.B, Shabalin, I.G, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-12-15 | Release date: | 2014-12-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Crystal structure of aldo-keto reductase from Sinorhizobium meliloti 1021 to be published
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4XBS
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![BU of 4xbs by Molmil](/molmil-images/mine/4xbs) | 2-deoxyribose-5-phosphate aldolase mutant - E78K | Descriptor: | Deoxyribose-phosphate aldolase | Authors: | Jiao, X.-C, Pan, J, Xu, G.-C, Kong, X.-D, Chen, Q, Zhang, Z.-J, Xu, J.-H. | Deposit date: | 2014-12-17 | Release date: | 2015-11-04 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Efficient synthesis of a statin precursor in high space-time yield by a new aldehyde-tolerant aldolase identified from Lactobacillus brevis Catalysis Science And Technology, 5, 2015
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4XDD
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![BU of 4xdd by Molmil](/molmil-images/mine/4xdd) | Apo [FeFe]-Hydrogenase CpI | Descriptor: | CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, ... | Authors: | Esselborn, J, Hofmann, E, Kurisu, G, Happe, T. | Deposit date: | 2014-12-19 | Release date: | 2015-11-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.599 Å) | Cite: | A structural view of synthetic cofactor integration into [FeFe]-hydrogenases. Chem Sci, 7, 2016
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1DRB
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![BU of 1drb by Molmil](/molmil-images/mine/1drb) | |
4XHS
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![BU of 4xhs by Molmil](/molmil-images/mine/4xhs) | Crystal structure of human NLRP12 PYD domain and implication in homotypic interaction | Descriptor: | FORMIC ACID, Maltose-binding periplasmic protein,NACHT, LRR and PYD domains-containing protein 12, ... | Authors: | Jin, T, Huang, M, Jiang, J, Xiao, T. | Deposit date: | 2015-01-06 | Release date: | 2016-01-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of human NLRP12 PYD domain and implication in homotypic interaction To Be Published
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4XID
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![BU of 4xid by Molmil](/molmil-images/mine/4xid) | AntpHD with 15bp DNA duplex | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*AP*GP*AP*AP*AP*GP*CP*CP*AP*TP*TP*AP*GP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*CP*TP*AP*AP*TP*GP*GP*CP*TP*TP*TP*C)-3'), ... | Authors: | White, M.A, Zandarashvili, L, Iwahara, J. | Deposit date: | 2015-01-06 | Release date: | 2015-11-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.701 Å) | Cite: | Entropic Enhancement of Protein-DNA Affinity by Oxygen-to-Sulfur Substitution in DNA Phosphate. Biophys.J., 109, 2015
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4XEJ
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![BU of 4xej by Molmil](/molmil-images/mine/4xej) | IRES bound to bacterial Ribosome | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Zhu, J, Korostelev, A, Noller, H.F, Donohue, J.P. | Deposit date: | 2014-12-23 | Release date: | 2015-02-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Initiation of translation in bacteria by a structured eukaryotic IRES RNA. Nature, 519, 2015
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