6F6R
 
 | | Crystal structure of human Caspase-1 with N-{3-[1-((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-ethyl]-1-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl}-4-(quinoxalin-2-ylamino)-benzamide | | Descriptor: | (3~{S})-3-[[(2~{R})-2-[3-methyl-2,6-bis(oxidanylidene)-5-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]pyrimidin-1-yl]propanoyl]amino]-4-oxidanyl-butanoic acid, Caspase-1, SULFATE ION | | Authors: | Fournier, J.F, Clary, L, Chambon, S, Dumais, L, Harris, C.S, Millois-Barbuis, C, Pierre, R, Talano, S, Thoreau, E, Aubert, J, Aurelly, M, Bouix-Peter, C, Brethon, A, Chantalat, L, Christin, O, Comino, C, El-Bazbouz, G, Ghilini, A.L, Isabet, T, Lardy, C, Luzy, A.P, Mathieu, C, Mebrouk, K, Orfila, D, Pascau, J, Reverse, K, Roche, D, Rodeschini, V, Hennequin, L.F. | | Deposit date: | 2017-12-06 | | Release date: | 2018-05-02 | | Last modified: | 2018-05-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Rational Drug Design of Topically Administered Caspase 1 Inhibitors for the Treatment of Inflammatory Acne.
J. Med. Chem., 61, 2018
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7PQY
 | | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with FI-3A Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, FI-3A Fab heavy chain, FI-3A Fab light chain, ... | | Authors: | Zhou, D, Ren, J, Stuart, D. | | Deposit date: | 2021-09-20 | | Release date: | 2022-02-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structures and therapeutic potential of anti-RBD human monoclonal antibodies against SARS-CoV-2.
Theranostics, 12, 2022
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6F2N
 | | Crystal structure of BCII Metallo-beta-lactamase in complex with KDU197 | | Descriptor: | (~{Z})-3-[2-(naphthalen-2-ylmethyl)phenyl]-2-sulfanyl-prop-2-enoic acid, Metallo-beta-lactamase type 2, SULFATE ION, ... | | Authors: | McDonough, M.A, El-Hussein, A, Schofield, C.J, Zhang, D, Brem, J. | | Deposit date: | 2017-11-24 | | Release date: | 2018-10-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.149 Å) | | Cite: | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
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6EZA
 | | Crystal Structure of human tRNA-dihydrouridine(20) synthase catalytic domain E294K mutant | | Descriptor: | CHLORIDE ION, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | | Authors: | Bou-Nader, C, Bregeon, D, Pecqueur, L, Vincent, G, Fontecave, M, Hamdane, D. | | Deposit date: | 2017-11-14 | | Release date: | 2018-09-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Electrostatic Potential in the tRNA Binding Evolution of Dihydrouridine Synthases.
Biochemistry, 57, 2018
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6M9J
 | | Racemic-GSTSTA from degenerate octameric repeats in InaZ, residues 707-712 | | Descriptor: | Ice nucleation protein | | Authors: | Zee, C, Glynn, C, Gallagher-Jones, M, Miao, J, Santiago, C.G, Cascio, D, Gonen, T, Sawaya, M.R, Rodriguez, J.A. | | Deposit date: | 2018-08-23 | | Release date: | 2019-03-27 | | Last modified: | 2024-03-13 | | Method: | ELECTRON CRYSTALLOGRAPHY (0.9 Å) | | Cite: | Homochiral and racemic MicroED structures of a peptide repeat from the ice-nucleation protein InaZ.
IUCrJ, 6, 2019
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7ZJF
 | | R399E, a mutated form of GDF5, for disease modification of osteoarthritis | | Descriptor: | Growth/differentiation factor 5 | | Authors: | Gigout, A, Wekmann, D, Menges, S, Brenneis, C, Henson, F, Cowan, K.J, Musil, D, Thudium, C, Guehring, H, Michaelis, M, Kleinschmidt-Doerr, K. | | Deposit date: | 2022-04-10 | | Release date: | 2022-09-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | R399E, A Mutated Form of Growth and Differentiation Factor 5, for Disease Modification of Osteoarthritis.
Arthritis Rheumatol, 75, 2023
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2MTI
 | | NMR structure of the lymphocyte receptor NKR-P1A | | Descriptor: | Killer cell lectin-like receptor subfamily B member 1A | | Authors: | Chmelik, J, Rozbesky, D, Pospisilova, E, Adamek, D, Novak, P. | | Deposit date: | 2014-08-19 | | Release date: | 2015-11-11 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the lymphocyte receptor Nkrp1a reveals a distinct conformation of the long loop region as compared to in the crystal structure.
Proteins, 84, 2016
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6EZB
 | | Crystal Structure of human tRNA-dihydrouridine(20) synthase catalytic domain Q305K mutant | | Descriptor: | FLAVIN MONONUCLEOTIDE, GLYCEROL, SULFATE ION, ... | | Authors: | Bou-Nader, C, Bregeon, D, Pecqueur, L, Fontecave, M, Hamdane, D. | | Deposit date: | 2017-11-14 | | Release date: | 2018-09-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Electrostatic Potential in the tRNA Binding Evolution of Dihydrouridine Synthases.
Biochemistry, 57, 2018
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2MVF
 | | Structural insight into an essential assembly factor network on the pre-ribosome | | Descriptor: | Uncharacterized protein | | Authors: | Lee, W, Bassler, J, Paternoga, H, Holdermann, I, Thomas, M, Granneman, S, Barrio-Garcia, C, Nyarko, A, Stier, G, Clark, S.A, Schraivogel, D, Kallas, M, Beckmann, R, Tollervey, D, Barbar, E, Sinning, I, Hurt, E. | | Deposit date: | 2014-10-02 | | Release date: | 2014-12-03 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | A network of assembly factors is involved in remodeling rRNA elements during preribosome maturation.
J.Cell Biol., 207, 2014
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6SNW
 | | Structure of Coxsackievirus A10 complexed with its receptor KREMEN1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Capsid protein VP1, Capsid protein VP3, ... | | Authors: | Zhao, Y, Zhou, D, Ni, T, Karia, D, Kotecha, A, Wang, X, Rao, Z, Jones, E.Y, Fry, E.E, Ren, J, Stuart, D.I. | | Deposit date: | 2019-08-27 | | Release date: | 2020-01-15 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Hand-foot-and-mouth disease virus receptor KREMEN1 binds the canyon of Coxsackie Virus A10.
Nat Commun, 11, 2020
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6MJR
 | | Azurin 122W/124F/126Re | | Descriptor: | (1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I), Azurin, COPPER (II) ION | | Authors: | Takematsu, K, Zalis, S, Gray, H.B, Vlcek, A, Winkler, J.R, Williamson, H, Kaiser, J.T, Heyda, J, Hollas, D. | | Deposit date: | 2018-09-21 | | Release date: | 2019-02-20 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (2.012 Å) | | Cite: | Two Tryptophans Are Better Than One in Accelerating Electron Flow through a Protein.
ACS Cent Sci, 5, 2019
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6MJT
 | | Azurin 122F/124W/126Re | | Descriptor: | (1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I), Azurin, COPPER (II) ION | | Authors: | Takematsu, K, Zalis, S, Gray, H.B, Vlcek, A, Winkler, J.R, Williamson, H, Kaiser, J.T, Heyda, J, Hollas, D. | | Deposit date: | 2018-09-21 | | Release date: | 2019-02-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.893 Å) | | Cite: | Two Tryptophans Are Better Than One in Accelerating Electron Flow through a Protein.
ACS Cent Sci, 5, 2019
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6EZC
 | | Crystal Structure of human tRNA-dihydrouridine(20) synthase catalytic domain E294K Q305K double mutant | | Descriptor: | CHLORIDE ION, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | | Authors: | Bou-Nader, C, Bregeon, D, Vincent, G, Fontecave, M, Hamdane, D. | | Deposit date: | 2017-11-14 | | Release date: | 2018-09-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Electrostatic Potential in the tRNA Binding Evolution of Dihydrouridine Synthases.
Biochemistry, 57, 2018
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6SNB
 | | Structure of Coxsackievirus A10 A-particle | | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3 | | Authors: | Zhao, Y, Zhou, D, Ni, T, Karia, D, Kotecha, A, Wang, X, Rao, Z, Jones, E.Y, Fry, E.E, Ren, J, Stuart, D.I. | | Deposit date: | 2019-08-23 | | Release date: | 2020-01-15 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Hand-foot-and-mouth disease virus receptor KREMEN1 binds the canyon of Coxsackie Virus A10.
Nat Commun, 11, 2020
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6MK9
 | | X-ray crystal structure of darunavir-resistant-P51 HIV-1 protease in complex with GRL-121 | | Descriptor: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease | | Authors: | Yedidi, R.S, Hayashi, H, Das, D, Mitsuya, H. | | Deposit date: | 2018-09-25 | | Release date: | 2019-10-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | X-ray crystal structure of darunavir-resistant-P51 HIV-1 protease in complex with GRL-121
To Be Published
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6FFZ
 | | Crystal structure of R. ruber ADH-A, mutant F43H, Y54L | | Descriptor: | Alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION | | Authors: | Dobritzsch, D, Maurer, D, Hamnevik, E, Enugala, T.R, Widersten, M. | | Deposit date: | 2018-01-09 | | Release date: | 2018-02-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Directed Evolution of Alcohol Dehydrogenase for Improved Stereoselective Redox Transformations of 1-Phenylethane-1,2-diol and Its Corresponding Acyloin.
Biochemistry, 57, 2018
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2N07
 | | Design of a Highly Stable Disulfide-Deleted Mutant of Analgesic Cyclic alpha-Conotoxin Vc1.1 | | Descriptor: | Alpha-conotoxin Vc1A | | Authors: | Yu, R, Seymour, V, Berecki, G, Jia, X, Akcan, M, Adams, D, Kaas, Q, Craik, D. | | Deposit date: | 2015-03-04 | | Release date: | 2016-04-13 | | Method: | SOLUTION NMR | | Cite: | Design of a Highly Stable Disulfide-Deleted Mutant of Analgesic Cyclic alpha-Conotoxin Vc1.1.
To be Published
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2MRA
 | | Solution NMR Structure of De novo designed protein, Northeast Structural Genomics Consortium (NESG) Target OR459 | | Descriptor: | De novo designed protein OR459 | | Authors: | Pulavarti, S.V.S.R.K, Kipnis, Y, Sukumaran, D, Maglaqui, M, Janjua, H, Mao, L, Xiao, R, Kornhaber, G, Baker, D, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2014-07-02 | | Release date: | 2014-09-17 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution NMR Structure of De novo designed protein, Northeast Structural Genomics Consortium (NESG) Target OR459
To be Published
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2MY1
 | | Solution structure of Bud31p | | Descriptor: | Pre-mRNA-splicing factor BUD31, ZINC ION | | Authors: | van Roon, A.M, Yang, J, Mathieu, D, Bermel, W, Nagai, K, Neuhaus, D. | | Deposit date: | 2015-01-19 | | Release date: | 2015-03-11 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | (113) Cd NMR Experiments Reveal an Unusual Metal Cluster in the Solution Structure of the Yeast Splicing Protein Bud31p.
Angew.Chem.Int.Ed.Engl., 54, 2015
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2BE7
 | | Crystal structure of the unliganded (T-state) aspartate transcarbamoylase of the psychrophilic bacterium Moritella profunda | | Descriptor: | Aspartate Carbamoyltransferase Catalytic Chain, Aspartate Carbamoyltransferase Regulatory Chain, SULFATE ION, ... | | Authors: | De Vos, D, Savvides, S.N, Van Beeumen, J. | | Deposit date: | 2005-10-23 | | Release date: | 2006-10-31 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural investigation of cold activity and regulation of aspartate carbamoyltransferase from the extreme psychrophilic bacterium Moritella profunda.
J.Mol.Biol., 365, 2007
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6MOM
 | | Crystal structure of human Interleukin-1 receptor associated Kinase 4 (IRAK 4, CID 100300) in complex with compound NCC00371481 (BSI 107591) | | Descriptor: | 1,2-ETHANEDIOL, 6-[7-methoxy-6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine, Interleukin-1 receptor-associated kinase 4 | | Authors: | Abendroth, J, Mayclin, S.J, Lorimer, D.D, Starczynowski, D, Hoyt, S, Tawa, G, Thomas, C. | | Deposit date: | 2018-10-04 | | Release date: | 2019-10-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Overcoming adaptive therapy resistance in AML by targeting immune response pathways.
Sci Transl Med, 11, 2019
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1PZV
 | | Crystal structures of two UBC (E2) enzymes of the ubiquitin-conjugating system in Caenorhabditis elegans | | Descriptor: | Probable ubiquitin-conjugating enzyme E2-19 kDa | | Authors: | Schormann, N, Lin, G, Li, S, Symersky, J, Qiu, S, Finley, J, Luo, D, Stanton, A, Carson, M, Luo, M, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2003-07-14 | | Release date: | 2003-07-22 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Crystal structures of two UBC (E2) enzymes of the ubiquitin-conjugating system in Caenorhabditis elegans
To be Published
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4R8I
 | | High Resolution Structure of a Mirror-Image RNA Oligonucleotide Aptamer in Complex with the Chemokine CCL2 | | Descriptor: | C-C motif chemokine 2, Mirror-Image RNA Oligonucleotide Aptamer NOXE36, POTASSIUM ION, ... | | Authors: | Oberthuer, D, Achenbach, J, Gabdulkhakov, A, Falke, S, Buchner, K, Maasch, C, Rehders, D, Klussmann, S, Betzel, C. | | Deposit date: | 2014-09-02 | | Release date: | 2015-04-29 | | Last modified: | 2015-05-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of a mirror-image L-RNA aptamer (Spiegelmer) in complex with the natural L-protein target CCL2.
Nat Commun, 6, 2015
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6MKL
 | | X-ray crystal structure of darunavir-resistant-P51 HIV-1 protease in complex with GRL-142 | | Descriptor: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate, Protease | | Authors: | Yedidi, R.S, Hayashi, H, Das, D, Mitsuya, H. | | Deposit date: | 2018-09-25 | | Release date: | 2019-10-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-function analysis of darunavir-resistant-P51 HIV-1 protease in complex with GRL-142.
To Be Published
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6EUM
 | | CRYSTAL STRUCTURE OF BCII METALLO-BETA-LACTAMASE IN COMPLEX WITH DZ-307 | | Descriptor: | (~{Z})-2-sulfanyl-3-[2,3,6-tris(fluoranyl)phenyl]prop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | | Authors: | Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, El-Husseiny, A, Brem, J. | | Deposit date: | 2017-10-30 | | Release date: | 2018-10-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
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