6Z44
 
 | | Crystal structure of the cAMP-dependent protein kinase A in complex with phenol | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, DIMETHYL SULFOXIDE, PHENOL, ... | | Authors: | Oebbeke, M, Heine, A, Klebe, G. | | Deposit date: | 2020-05-22 | | Release date: | 2020-12-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6Z47
 | | Smooth muscle myosin shutdown state heads region | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Myosin heavy chain 11, ... | | Authors: | Scarff, C.A, Carrington, G, Casas Mao, D, Chalovich, J.M, Knight, P.J, Ranson, N.A, Peckham, M. | | Deposit date: | 2020-05-22 | | Release date: | 2020-12-09 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (6.3 Å) | | Cite: | Structure of the shutdown state of myosin-2.
Nature, 588, 2020
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1HI3
 | | Eosinophil-derived Neurotoxin (EDN) - Adenosine 2'-5'-Diphosphate Complex | | Descriptor: | ADENOSINE-2'-5'-DIPHOSPHATE, EOSINOPHIL-DERIVED NEUROTOXIN | | Authors: | Leonidas, D.D, Boix, E, Prill, R, Suzuki, M, Turton, R, Minson, K, Swaminathan, G.J, Youle, R.J, Acharya, K.R. | | Deposit date: | 2001-01-02 | | Release date: | 2001-05-31 | | Last modified: | 2018-05-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mapping the Ribonucleolytic Active Site of Eosinophil-Derived Neurotoxin (Edn): High Resolution Crystal Structures of Edn Complexes with Adenylic Nucleotide Inhibitors
J.Biol.Chem., 276, 2001
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3W5H
 | | Ultra-high resolution structure of NADH-cytochrome b5 reductase | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, NADH-cytochrome b5 reductase 3 | | Authors: | Takeda, K, Ohno, H, Kosugi, M, Takaba, K, Miki, K. | | Deposit date: | 2013-01-30 | | Release date: | 2013-07-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (0.78 Å) | | Cite: | Elucidations of the catalytic cycle of NADH-cytochrome b5 reductase by X-ray crystallography: new insights into regulation of efficient electron transfer
J.Mol.Biol., 425, 2013
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5HLZ
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8Q2J
 | | Tau - AD-MIA2 | | Descriptor: | Isoform Tau-D of Microtubule-associated protein tau | | Authors: | Lovestam, S, Li, D, Scheres, S.H.W, Goedert, M. | | Deposit date: | 2023-08-02 | | Release date: | 2023-08-30 | | Last modified: | 2024-01-24 | | Method: | ELECTRON MICROSCOPY (2.23 Å) | | Cite: | Disease-specific tau filaments assemble via polymorphic intermediates.
Nature, 625, 2024
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2YK1
 | | Structure of human anti-nicotine Fab fragment in complex with nicotine | | Descriptor: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, FAB FRAGMENT, HEAVY CHAIN, ... | | Authors: | Tars, K, Kotelovica, S, Lipowsky, G, Bauer, M, Beerli, R, Bachmann, M, Maurer, P. | | Deposit date: | 2011-05-25 | | Release date: | 2011-11-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Different Binding Modes of Free and Carrier-Protein-Coupled Nicotine in a Human Monoclonal Antibody.
J.Mol.Biol., 415, 2012
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3W8Q
 | | Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (MEK1) | | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 1, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | | Authors: | Nakae, S, Kitamura, M, Shirai, T, Tada, T. | | Deposit date: | 2013-03-20 | | Release date: | 2014-03-26 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of mitogen-activated protein kinase kinase 1 in the DFG-out conformation.
Acta Crystallogr.,Sect.F, 77, 2021
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8Q27
 | | Tau: AD-MIA1 | | Descriptor: | Isoform Tau-D of Microtubule-associated protein tau | | Authors: | Lovestam, S, Scheres, S.H.W, Goedert, M, Li, D. | | Deposit date: | 2023-08-01 | | Release date: | 2023-08-30 | | Last modified: | 2024-01-24 | | Method: | ELECTRON MICROSCOPY (2.02 Å) | | Cite: | Disease-specific tau filaments assemble via polymorphic intermediates.
Nature, 625, 2024
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3WBD
 | | Crystal structure of anti-polysialic acid antibody single chain Fv fragment (mAb735) complexed with octasialic acid | | Descriptor: | CITRATE ANION, N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid, single chain Fv fragment of mAb735 | | Authors: | Nagae, M, Ikeda, A, Hanashima, S, Kitajima, K, Sato, C, Yamaguchi, Y. | | Deposit date: | 2013-05-14 | | Release date: | 2013-10-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of anti-polysialic acid antibody single chain Fv fragment complexed with octasialic acid: insight into the binding preference for polysialic acid.
J.Biol.Chem., 288, 2013
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5IL9
 | | Crystal structure of Deg9 | | Descriptor: | GLYCEROL, Protease Do-like 9 | | Authors: | Ouyang, M, Liu, L, Li, X.Y, Zhao, S, Zhang, L.X. | | Deposit date: | 2016-03-04 | | Release date: | 2017-03-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The crystal structure of Deg9 reveals a novel octameric-type HtrA protease
Nat Plants, 3, 2017
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2Y7G
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2YNF
 | | HIV-1 Reverse Transcriptase Y188L mutant in complex with inhibitor GSK560 | | Descriptor: | 2-azanyl-N-[[4-bromanyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-4-chloranyl-1H-imidazole-5-carboxamide, D(-)-TARTARIC ACID, MAGNESIUM ION, ... | | Authors: | Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A. | | Deposit date: | 2012-10-14 | | Release date: | 2013-01-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase.
J.Med.Chem., 55, 2012
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8PN6
 | | Crystal Structure of co-expressed NS2B-NS3 Protease from Zika Virus | | Descriptor: | Genome polyprotein, Serine protease subunit NS2B | | Authors: | Ni, X, Fairhead, M, Balcomb, B.H, Aschenbrenner, J.C, Ferreira, L.M, Godoy, A.S, Lithgo, R.M, MacLean, E.M, Marples, P.G, Thompson, W, Tomlinson, C.W.E, Szommer, T, Wild, C, Wright, N.D, Koekemoer, L, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-06-29 | | Release date: | 2023-08-16 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Crystal Structure of co-expressed NS2B-NS3 Protease from Zika Virus
To Be Published
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8PFI
 | | Crystal structure of human TLR8 in complex with compound 34 | | Descriptor: | (3~{S})-~{N}-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]morpholine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ... | | Authors: | Faller, M, Zink, F. | | Deposit date: | 2023-06-16 | | Release date: | 2023-08-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.785 Å) | | Cite: | Discovery of the TLR7/8 Antagonist MHV370 for Treatment of Systemic Autoimmune Diseases.
Acs Med.Chem.Lett., 14, 2023
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5IM1
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7SNL
 | | Disulfide stabilized HIV-1 CA hexamer in complex with capsid inhibitor N-(1-(3-(4-chloro-1-methyl-3-(methylsulfonamido)-1H-indazol-7-yl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-(3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetamide | | Descriptor: | CHLORIDE ION, Capsid protein p24, IODIDE ION, ... | | Authors: | Bester, S.M, Kvaratskhelia, M. | | Deposit date: | 2021-10-28 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Disulfide stabilized HIV-1 CA hexamer in complex with capsid inhibitor N-(1-(3-(4-chloro-1-methyl-3-(methylsulfonamido)-1H-indazol-7-yl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-(3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetamide
To Be Published
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4FXQ
 | | Full-length Certhrax toxin from Bacillus cereus in complex with Inhibitor P6 | | Descriptor: | 8-fluoro-2-(3-piperidin-1-ylpropanoyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6(2H)-one, CHLORIDE ION, Putative ADP-ribosyltransferase Certhrax, ... | | Authors: | Visschedyk, D.D, Dimov, S, Kimber, M.S, Park, H.W, Merrill, A.R. | | Deposit date: | 2012-07-03 | | Release date: | 2012-09-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9599 Å) | | Cite: | Certhrax Toxin, an Anthrax-related ADP-ribosyltransferase from Bacillus cereus.
J.Biol.Chem., 287, 2012
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6Z7T
 | | Nucleotide-free Myosin-II motor domain | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Ewert, W, Preller, M. | | Deposit date: | 2020-06-01 | | Release date: | 2020-10-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Structural and Computational Insights into a Blebbistatin-Bound Myosin•ADP Complex with Characteristics of an ADP-Release Conformation along the Two-Step Myosin Power Stoke.
Int J Mol Sci, 21, 2020
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5IO8
 | | Salmonella Typhimurium VirG-like (STV) protein at 2.19 Angstrom resolution solved by Iodine SAD. | | Descriptor: | IODIDE ION, PHOSPHATE ION, SODIUM ION, ... | | Authors: | Pandey, N.K, Ray, S, Suar, M, Bhavesh, N.S. | | Deposit date: | 2016-03-08 | | Release date: | 2017-03-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.192 Å) | | Cite: | Salmonella Typhimurium VirG-like (STV) protein at at 2.19 Angstrom resolution by SAD.
To Be Published
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5HUO
 | | Crystal Structure of NadC Deletion Mutant in C2221 Space Group | | Descriptor: | Nicotinate-nucleotide diphosphorylase (Carboxylating), SULFATE ION | | Authors: | Booth, W.T, Chruszcz, M. | | Deposit date: | 2016-01-27 | | Release date: | 2017-01-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Streptococcus pyogenes quinolinate-salvage pathway-structural and functional studies of quinolinate phosphoribosyl transferase and NH3 -dependent NAD(+) synthetase.
FEBS J., 284, 2017
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8Q2K
 | | Tau - AD-MIA3 | | Descriptor: | Isoform Tau-D of Microtubule-associated protein tau | | Authors: | Lovestam, S, Li, D, Scheres, S.H.W, Goedert, M. | | Deposit date: | 2023-08-02 | | Release date: | 2023-08-30 | | Last modified: | 2024-01-24 | | Method: | ELECTRON MICROSCOPY (2.88 Å) | | Cite: | Disease-specific tau filaments assemble via polymorphic intermediates.
Nature, 625, 2024
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5IOZ
 | | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with N-(cyclopentylmethyl)cyclopentanecarboxamide at 2.02A resolution | | Descriptor: | N-(cyclopentylmethyl)cyclopentanecarboxamide, TetR-family transcriptional regulatory repressor protein | | Authors: | Blaszczyk, M, Surade, S, Nikiforov, P.O, Abell, C, Blundell, T.L. | | Deposit date: | 2016-03-09 | | Release date: | 2017-03-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Fragment-Sized EthR Inhibitors Exhibit Exceptionally Strong Ethionamide Boosting Effect in Whole-Cell Mycobacterium tuberculosis Assays.
ACS Chem. Biol., 12, 2017
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2YC4
 | | Intraflagellar Transport Complex 25-27 from Chlamydomonas | | Descriptor: | CALCIUM ION, CHLORIDE ION, INTRAFLAGELLAR TRANSPORT PROTEIN 25, ... | | Authors: | Bhogaraju, S, Taschner, M, Lorentzen, E. | | Deposit date: | 2011-03-11 | | Release date: | 2011-03-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of the Intraflagellar Transport Complex 25/27.
Embo J., 30, 2011
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3JYZ
 | | Crystal structure of Pseudomonas aeruginosa (strain: Pa110594) typeIV pilin in space group P41212 | | Descriptor: | SULFATE ION, Type IV pilin structural subunit | | Authors: | Nguyen, Y, Jackson, S.G, Aidoo, F, Junop, M.S, Burrows, L.L. | | Deposit date: | 2009-09-22 | | Release date: | 2009-11-24 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural characterization of Novel Pseudomonas aeruginosa type IV pilins.
J.Mol.Biol., 395, 2010
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