2KY7
 
 | | NMR Structural Studies on the Covalent DNA Binding of a Pyrrolobenzodiazepine-Naphthalimide Conjugate | | Descriptor: | 2-{2-[4-(3-{[(11aS)-7-methoxy-5-oxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy}propyl)piperazin-1-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione, 5'-D(*AP*AP*CP*AP*AP*TP*TP*GP*TP*T)-3' | | Authors: | Rettig, M, Langel, W, Kamal, A, Weisz, K. | | Deposit date: | 2010-05-17 | | Release date: | 2010-06-02 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | NMR structural studies on the covalent DNA binding of a pyrrolobenzodiazepine-naphthalimide conjugate
Org.Biomol.Chem., 8, 2010
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2LCL
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2LPX
 | | Solution Structure of Strawberry Allergen Fra a 1e | | Descriptor: | Major strawberry allergen Fra a 1-E | | Authors: | Seutter von Loetzen, C, Hartl-Spiegelhauer, O, Schweimer, K, Schwab, W, Roesch, P. | | Deposit date: | 2012-02-20 | | Release date: | 2012-03-07 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the strawberry allergen Fra a 1.
Biosci.Rep., 32, 2012
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2LSN
 | | Solution structure of PFV RNase H domain | | Descriptor: | RNase H | | Authors: | Leo, B, Schweimer, K, Woehrl, B. | | Deposit date: | 2012-05-03 | | Release date: | 2012-10-17 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The solution structure of the prototype foamy virus RNase H domain indicates an important role of the basic loop in substrate binding.
Retrovirology, 9, 2012
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2MEW
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2IYE
 | | Structure of catalytic CPx-ATPase domain CopB-B | | Descriptor: | COPPER-TRANSPORTING ATPASE, SULFATE ION | | Authors: | Luebben, M, Gueldenhaupt, J, Deigweiher, K, Haebel, P, Scheidig, A.J. | | Deposit date: | 2006-07-15 | | Release date: | 2007-06-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Sulfate Acts as Phosphate Analog on the Monomeric Catalytic Fragment of the Cpx-ATPase Copb from Sulfolobus Solfataricus
J.Mol.Biol., 369, 2007
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2JYS
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2N3E
 | | Amino-terminal domain of Latrodectus hesperus MaSp1 with neutralized acidic cluster | | Descriptor: | Major ampullate spidroin 1 | | Authors: | Schaal, D, Bauer, J, Schweimer, K, Scheibel, T, Roesch, P, Schwarzinger, S. | | Deposit date: | 2015-05-29 | | Release date: | 2016-06-01 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | High resolution structure of an engineered amino-terminal ampullate spider silk with neutralized charge cluster
To be Published
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2JZB
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2JX2
 | | Solution conformation of RNA-bound NELF-E RRM | | Descriptor: | Negative elongation factor E | | Authors: | Jampani, N, Schweimer, K, Wenzel, S, Woehrl, B.M, Roesch, P. | | Deposit date: | 2007-11-02 | | Release date: | 2008-04-08 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | NELF-E RRM Undergoes Major Structural Changes in Flexible Protein Regions on Target RNA Binding
Biochemistry, 47, 2008
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2LQ8
 | | Domain interaction in Thermotoga maritima NusG | | Descriptor: | Transcription antitermination protein nusG | | Authors: | Droegemueller, J, Stegmann, C, Burmann, B, Roesch, P, Wahl, M.C, Schweimer, K. | | Deposit date: | 2012-02-27 | | Release date: | 2013-01-23 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | An Autoinhibited State in the Structure of Thermotoga maritima NusG.
Structure, 21, 2013
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2MI6
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2KVQ
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2K7H
 | | NMR solution structure of soybean allergen Gly m 4 | | Descriptor: | Stress-induced protein SAM22 | | Authors: | Berkner, H, Neudecker, P, Mittag, D, Ballmer-Weber, B.K, Schweimer, K, Vieths, S, Roesch, P. | | Deposit date: | 2008-08-11 | | Release date: | 2009-05-05 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Cross-reactivity of pollen and food allergens: soybean Gly m 4 is a member of the Bet v 1 superfamily and closely resembles yellow lupine proteins
Biosci.Rep., 29, 2009
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3V50
 | | Complex of SHV S130G mutant beta-lactamase complexed to SA2-13 | | Descriptor: | (3R)-4-[(4-CARBOXYBUTANOYL)OXY]-N-[(1E)-3-OXOPROP-1-EN-1-YL]-3-SULFINO-D-VALINE, Beta-lactamase, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE | | Authors: | Wei, K, van den Akker, F. | | Deposit date: | 2011-12-15 | | Release date: | 2012-08-08 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | The importance of the trans-enamine intermediate as a beta-lactamase inhibition strategy probed in inhibitor-resistant SHV beta-lactamase variants.
Chemmedchem, 7, 2012
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5IWL
 | | CD47-diabody complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5F9 diabody, Leukocyte surface antigen CD47, ... | | Authors: | Di, W, Jude, K.M, Garcia, K.C. | | Deposit date: | 2016-03-22 | | Release date: | 2016-06-29 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | CD47-blocking immunotherapies stimulate macrophage-mediated destruction of small-cell lung cancer.
J.Clin.Invest., 126, 2016
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3S96
 | | Crystal structure of 3B5H10 | | Descriptor: | 3B5H10 FAB heavy chain, 3B5H10 FAB light chain | | Authors: | Weisgraber, K, Peters-Libeu, C, Rutenber, E, Newhouse, Y, Finkbeiner, S. | | Deposit date: | 2011-05-31 | | Release date: | 2012-02-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Disease-associated polyglutamine stretches in monomeric huntingtin adopt a compact structure.
J.Mol.Biol., 421, 2012
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4KJY
 | | Complex of high-affinity SIRP alpha variant FD6 with CD47 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, High-affinity SIRPa variant FD6, Leukocyte surface antigen CD47, ... | | Authors: | Ring, A.M, Ozkan, E, Ho, C.C.M, Garcia, K.C. | | Deposit date: | 2013-05-04 | | Release date: | 2013-06-12 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Engineered SIRP alpha variants as immunotherapeutic adjuvants to anticancer antibodies.
Science, 341, 2013
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4GD6
 | | SHV-1 beta-lactamase in complex with penam sulfone SA1-204 | | Descriptor: | (3R)-N-(2-formylindolizin-3-yl)-4-[(phenylacetyl)oxy]-3-sulfino-D-valine, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE | | Authors: | van den Akker, F, Wei, K. | | Deposit date: | 2012-07-31 | | Release date: | 2013-07-31 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Structures of SHV-1 beta-lactamase with penem and penam sulfone inhibitors that form cyclic intermediates stabilized by carbonyl conjugation
Plos One, 7, 2012
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4KF7
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4KF8
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6CKC
 | | Structure of PRMT5:MEP50 in complex with LLY-283, a potent and selective inhibitor of PRMT5, with antitumor activity | | Descriptor: | 7-[(5R)-5-C-phenyl-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Methylosome protein 50, Protein arginine N-methyltransferase 5 | | Authors: | Antonysamy, S. | | Deposit date: | 2018-02-27 | | Release date: | 2018-05-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | LLY-283, a Potent and Selective Inhibitor of Arginine Methyltransferase 5, PRMT5, with Antitumor Activity.
ACS Med Chem Lett, 9, 2018
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7TEH
 | | Room temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-2 | | Descriptor: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | | Deposit date: | 2022-01-05 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease
Nat Commun, 13, 2022
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7TFR
 | | Room temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with NBH-2 | | Descriptor: | (1R,2S,5S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | | Deposit date: | 2022-01-07 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease
Nat Commun, 13, 2022
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7TDU
 | | Joint X-ray/neutron structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-1 | | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide, 3C-like proteinase | | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | | Deposit date: | 2022-01-03 | | Release date: | 2022-03-02 | | Last modified: | 2024-04-03 | | Method: | NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION | | Cite: | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease
Nat Commun, 13, 2022
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