6PKS
| MicroED structure of proteinase K from low-dose merged lamellae that were not pre-coated with platinum 2.16A resolution (LD) | Descriptor: | Proteinase K | Authors: | Martynowycz, M.W, Zhao, W, Hattne, J, Jensen, G.J, Gonen, T. | Deposit date: | 2019-06-29 | Release date: | 2019-09-04 | Last modified: | 2019-12-18 | Method: | ELECTRON CRYSTALLOGRAPHY (2.16 Å) | Cite: | Qualitative Analyses of Polishing and Precoating FIB Milled Crystals for MicroED. Structure, 27, 2019
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6PS1
| XFEL beta2 AR structure by ligand exchange from Alprenolol to Timolol. | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol, CHOLESTEROL, ... | Authors: | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | Deposit date: | 2019-07-12 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers. Iucrj, 6, 2019
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1E5N
| E246C mutant of P fluorescens subsp. cellulosa xylanase A in complex with xylopentaose | Descriptor: | CALCIUM ION, ENDO-1,4-BETA-XYLANASE A, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | Authors: | Lo Leggio, L, Jenkins, J.A, Harris, G.W, Pickersgill, R.W. | Deposit date: | 2000-07-27 | Release date: | 2000-12-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | X-ray crystallographic study of xylopentaose binding to Pseudomonas fluorescens xylanase A. Proteins, 41, 2000
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6P7Z
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5WKK
| 1.55 A resolution structure of MERS 3CL protease in complex with inhibitor GC813 | Descriptor: | (1R,2S)-2-[(N-{[2-(3-chlorophenyl)ethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-[(N-{[2-(3-chlorophenyl)ethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, MAGNESIUM ION, ... | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Rathnayake, A.D, Chang, K.O, Groutas, W.C. | Deposit date: | 2017-07-25 | Release date: | 2018-04-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element. Eur J Med Chem, 150, 2018
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5WKM
| 2.25 A resolution structure of MERS 3CL protease in complex with piperidine-based peptidomimetic inhibitor 21 | Descriptor: | (1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, Orf1a protein | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Rathnayake, A.D, Chang, K.O, Groutas, W.C. | Deposit date: | 2017-07-25 | Release date: | 2018-04-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element. Eur J Med Chem, 150, 2018
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5WZ1
| Crystal structure of Zika virus NS5 methyltransferase bound to S-adenosyl-L-methionine | Descriptor: | NS5 methyltransferase, S-ADENOSYLMETHIONINE | Authors: | Duan, W, Song, H, Qi, J, Shi, Y, Gao, G.F. | Deposit date: | 2017-01-16 | Release date: | 2017-03-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.507 Å) | Cite: | The crystal structure of Zika virus NS5 reveals conserved drug targets. EMBO J., 36, 2017
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5YVW
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3VJD
| Crystal structure of the Y248A mutant of C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus | Descriptor: | Dehydrosqualene synthase, L(+)-TARTARIC ACID | Authors: | Liu, C.I, Jeng, W.Y, Chang, W.J, Wang, A.H.J. | Deposit date: | 2011-10-14 | Release date: | 2012-04-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Binding modes of zaragozic acid A to human squalene synthase and staphylococcal dehydrosqualene synthase J.Biol.Chem., 287, 2012
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5WBE
| COX-1:MOFEZOLAC COMPLEX STRUCTURE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Mofezolac, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Cingolani, G, Panella, A, Perrone, M.G, Vitale, P, Smith, W.L, Scilimati, A. | Deposit date: | 2017-06-28 | Release date: | 2017-07-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural basis for selective inhibition of Cyclooxygenase-1 (COX-1) by diarylisoxazoles mofezolac and 3-(5-chlorofuran-2-yl)-5-methyl-4-phenylisoxazole (P6). Eur J Med Chem, 138, 2017
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6PS0
| XFEL beta2 AR structure by ligand exchange from Alprenolol to Carazolol. | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, CHOLESTEROL, ... | Authors: | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | Deposit date: | 2019-07-12 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers. Iucrj, 6, 2019
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2YJ9
| CATHEPSIN L WITH A NITRILE INHIBITOR | Descriptor: | (2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]carbonyl-pyrrolidine-2-carboxamide, CATHEPSIN L1, GLYCEROL | Authors: | Banner, D.W, Benz, J.M, Haap, W. | Deposit date: | 2011-05-19 | Release date: | 2011-11-23 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Halogen Bonding at the Active Sites of Human Cathepsin L and Mek1 Kinase: Efficient Interactions in Different Environments. Chemmedchem, 6, 2011
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3HRS
| Crystal Structure of the Manganese-activated Repressor ScaR: apo form | Descriptor: | Metalloregulator ScaR, SULFATE ION | Authors: | Stoll, K.E, Draper, W.E, Kliegman, J.I, Golynskiy, M.V, Brew-Appiah, R.A.T, Brown, H.K, Breyer, W.A, Jakubovics, N.S, Jenkinson, H.F, Brennan, R.B, Cohen, S.M, Glasfeld, A. | Deposit date: | 2009-06-09 | Release date: | 2009-06-23 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Characterization and structure of the manganese-responsive transcriptional regulator ScaR. Biochemistry, 48, 2009
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5WT9
| Complex structure of PD-1 and nivolumab-Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of Nivolumab, Light Chain of Nivolumab, ... | Authors: | Tan, S, Zhang, H, Chai, Y, Song, H, Tong, Z, Wang, Q, Qi, J, Wong, G, Zhu, X, Liu, W.J, Gao, S, Wang, Z, Shi, Y, Yang, F, Gao, G.F, Yan, J. | Deposit date: | 2016-12-10 | Release date: | 2017-02-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | An unexpected N-terminal loop in PD-1 dominates binding by nivolumab. Nat Commun, 8, 2017
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6PHR
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5WT7
| FAS1-IV domain of Human Periostin | Descriptor: | Periostin | Authors: | Yun, H, Lee, C.W. | Deposit date: | 2016-12-09 | Release date: | 2017-12-13 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | 1H,13C, and 15N resonance assignments of FAS1-IV domain of human periostin, a component of extracellular matrix proteins. Biomol NMR Assign, 12, 2018
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3HRU
| Crystal Structure of ScaR with bound Zn2+ | Descriptor: | Metalloregulator ScaR, SULFATE ION, ZINC ION | Authors: | Stoll, K.E, Draper, W.E, Kliegman, J.I, Golynskiy, M.V, Brew-Appiah, R.A.T, Brown, H.K, Breyer, W.A, Jakubovics, N.S, Jenkinson, H.F, Brennan, R.B, Cohen, S.M, Glasfeld, A. | Deposit date: | 2009-06-09 | Release date: | 2009-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Characterization and structure of the manganese-responsive transcriptional regulator ScaR. Biochemistry, 48, 2009
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2YK5
| Structure of Neisseria LOS-specific sialyltransferase (NST), in complex with CMP. | Descriptor: | 1,2-ETHANEDIOL, CMP-N-ACETYLNEURAMINATE-BETA-GALACTOSAMIDE-ALPHA-2,3-SIALYLTRANSFERASE, CYTIDINE-5'-MONOPHOSPHATE, ... | Authors: | Lin, L.Y.C, Rakic, B, Chiu, C.P.C, Lameignere, E, Wakarchuk, W.W, Withers, S.G, Strynadka, N.C.J. | Deposit date: | 2011-05-25 | Release date: | 2011-08-31 | Last modified: | 2019-09-25 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structure and Mechanism of the Lipooligosaccharide Sialyltransferase from Neisseria Meningitidis J.Biol.Chem., 286, 2011
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5WDH
| Motor domain of human kinesin family member C1 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIFC1, MAGNESIUM ION, ... | Authors: | Zhu, H, Tempel, W, He, H, Shen, Y, Wang, J, Brothers, G, Landry, R, Arrowsmith, C.H, Edwards, A.M, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2017-07-05 | Release date: | 2017-08-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.248 Å) | Cite: | Structural basis of small molecule ATPase inhibition of a human mitotic kinesin motor protein. Sci Rep, 7, 2017
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2J6Z
| Structural and functional characterisation of partner-switching regulating the environmental stress response in B. subtilis | Descriptor: | PHOSPHOSERINE PHOSPHATASE RSBU | Authors: | Hardwick, S.W, Pane-Farre, J, Delumeau, O, Marles-Wright, J, Murray, J.W, Hecker, M, Lewis, R.J. | Deposit date: | 2006-10-05 | Release date: | 2007-02-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural and functional characterization of partner switching regulating the environmental stress response in Bacillus subtilis. J. Biol. Chem., 282, 2007
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1WVF
| p-Cresol Methylhydroxylase: Alteration of the Structure of the Flavoprotein Subunit upon its Binding to the Cytochrome Subunit | Descriptor: | 4-cresol dehydrogenase [hydroxylating] flavoprotein subunit, ACETIC ACID, CHLORIDE ION, ... | Authors: | Cunane, L.M, Chen, Z.-W, McIntire, W.S, Mathews, F.S. | Deposit date: | 2004-12-15 | Release date: | 2005-03-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | p-Cresol Methylhydroxylase: Alteration of the Structure of the Flavoprotein Subunit upon Its Binding to the Cytochrome Subunit Biochemistry, 44, 2005
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2Y75
| The Structure of CymR (YrzC) the Global Cysteine Regulator of B. subtilis | Descriptor: | CHLORIDE ION, HTH-TYPE TRANSCRIPTIONAL REGULATOR CYMR, SULFATE ION | Authors: | Shepard, W, Soutourina, O, Courtois, E, England, P, Haouz, A, Martin-Verstraete, I. | Deposit date: | 2011-01-28 | Release date: | 2011-08-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Insights Into the Rrf2 Repressor Family - the Structure of Cymr, the Global Cysteine Regulator of Bacillus Subtilis. FEBS J., 278, 2011
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6PKL
| MicroED structure of proteinase K from an uncoated, single lamella at 2.59A resolution (#7) | Descriptor: | Proteinase K | Authors: | Martynowycz, M.W, Zhao, W, Hattne, J, Jensen, G.J, Gonen, T. | Deposit date: | 2019-06-29 | Release date: | 2019-09-04 | Last modified: | 2019-12-18 | Method: | ELECTRON CRYSTALLOGRAPHY (2.59 Å) | Cite: | Qualitative Analyses of Polishing and Precoating FIB Milled Crystals for MicroED. Structure, 27, 2019
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6PKT
| MicroED structure of proteinase K from merging low-dose, platinum pre-coated lamellae at 1.85A resolution (LDPT) | Descriptor: | Proteinase K | Authors: | Martynowycz, M.W, Zhao, W, Hattne, J, Jensen, G.J, Gonen, T. | Deposit date: | 2019-06-29 | Release date: | 2019-09-04 | Last modified: | 2019-12-18 | Method: | ELECTRON CRYSTALLOGRAPHY (1.85 Å) | Cite: | Qualitative Analyses of Polishing and Precoating FIB Milled Crystals for MicroED. Structure, 27, 2019
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2J5C
| Rational conversion of substrate and product specificity in a monoterpene synthase. Structural insights into the molecular basis of rapid evolution. | Descriptor: | 1,8-CINEOLE SYNTHASE, BETA-MERCAPTOETHANOL | Authors: | Kampranis, S.C, Ioannidis, D, Purvis, A, Mahrez, W, Ninga, E, Katerelos, N.A, Anssour, S, Dunwell, J.M, Makris, A.M, Goodenough, P.W, Johnson, C.B. | Deposit date: | 2006-09-14 | Release date: | 2007-06-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Rational Conversion of Substrate and Product Specificity in a Salvia Monoterpene Synthase: Structural Insights Into the Evolution of Terpene Synthase Function. Plant Cell, 19, 2007
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