6W75
| 1.95 Angstrom Resolution Crystal Structure of NSP10 - NSP16 Complex from SARS-CoV-2 | Descriptor: | 2'-O-methyltransferase, FORMIC ACID, Non-structural protein 10, ... | Authors: | Minasov, G, Shuvalova, L, Rosas-Lemus, M, Kiryukhina, O, Wiersum, G, Godzik, A, Jaroszewski, L, Stogios, P.J, Skarina, T, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-03-18 | Release date: | 2020-03-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.951 Å) | Cite: | High-resolution structures of the SARS-CoV-2 2'- O -methyltransferase reveal strategies for structure-based inhibitor design. Sci.Signal., 13, 2020
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5N6B
| Human Leukocyte Antigen Class I A02 Carrying LLWNPGMAV | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-2-microglobulin, ... | Authors: | Rizkallah, P.J, Cole, D.K, Fuller, A, Bulek, A.M, Bovay, A. | Deposit date: | 2017-02-14 | Release date: | 2017-10-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | T cell receptor alpha variable 12-2 bias in the immunodominant response to Yellow fever virus. Eur. J. Immunol., 48, 2018
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1YSI
| Solution structure of the anti-apoptotic protein Bcl-xL in complex with an acyl-sulfonamide-based ligand | Descriptor: | Apoptosis regulator Bcl-X, N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITRO-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE | Authors: | Oltersdorf, T, Elmore, S.W, Shoemaker, A.R, Armstrong, R.C, Augeri, D.J, Belli, B.A, Bruncko, M, Deckwerth, T.L, Dinges, J, Hajduk, P.J, Joseph, M.K, Kitada, S, Korsmeyer, S.J, Kunzer, A.R, Letai, A, Li, C, Mitten, M.J, Nettesheim, D.G, Ng, S, Nimmer, P.M, O'Connor, J.M, Oleksijew, A, Petros, A.M, Reed, J.C, Shen, W, Tahir, S.K, Thompson, C.B, Tomaselli, K.J, Wang, B, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H. | Deposit date: | 2005-02-08 | Release date: | 2005-06-07 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | An inhibitor of Bcl-2 family proteins induces regression of solid tumours Nature, 435, 2005
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2VEV
| CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN ISOTHIAZOLIDINONE-CONTAINING INHIBITOR | Descriptor: | MAGNESIUM ION, N-[(1S)-1-(4-benzyl-1H-imidazol-2-yl)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}ethyl]-3-(trifluoromethyl)benzenesulfonamide, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | Authors: | Douty, B, Wayland, B, Ala, P.J, Bower, M.J, Pruitt, J, Bostrom, L, Wei, M, Klabe, R, Gonneville, L, Wynn, R, Burn, T.C, Liu, P.C.C, Combs, A.P, Yue, E.W. | Deposit date: | 2007-10-27 | Release date: | 2007-11-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Isothiazolidinone Inhibitors of Ptp1B Containing Imidazoles and Imidazolines Bioorg.Med.Chem.Lett., 18, 2008
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5NI3
| sfGFP 204-204 mutant dimer | Descriptor: | CHLORIDE ION, GLYCEROL, Green fluorescent protein, ... | Authors: | Worthy, H.L, Rizkallah, P.J. | Deposit date: | 2017-03-23 | Release date: | 2018-09-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Association of Fluorescent Protein Pairs and Its Significant Impact on Fluorescence and Energy Transfer Adv Sci, 2020
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5JH5
| Structural Basis for the Hierarchical Assembly of the Core of PRC1.1 | Descriptor: | BCL-6 corepressor-like protein 1, Lysine-specific demethylase 2B, Polycomb group RING finger protein 1, ... | Authors: | Wong, S.J, Taylor, A.B, Hart, P.J, Kim, C.A. | Deposit date: | 2016-04-20 | Release date: | 2016-09-14 | Last modified: | 2016-10-19 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | KDM2B Recruitment of the Polycomb Group Complex, PRC1.1, Requires Cooperation between PCGF1 and BCORL1. Structure, 24, 2016
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6WAM
| Structure of Acinetobacter baumannii Cap4 SAVED/CARF-domain containing receptor | Descriptor: | SAVED domain-containing protein, SULFATE ION | Authors: | Lowey, B, Whiteley, A.T, Keszei, A.F.A, Morehouse, B.R, Antine, S.P, Cabrera, V, Schwede, F, Mekalanos, J.J, Shao, S, Lee, A.S.Y, Kranzusch, P.J. | Deposit date: | 2020-03-25 | Release date: | 2020-06-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | CBASS Immunity Uses CARF-Related Effectors to Sense 3'-5'- and 2'-5'-Linked Cyclic Oligonucleotide Signals and Protect Bacteria from Phage Infection. Cell, 182, 2020
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7NZZ
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2V3G
| Structure of a family 26 lichenase in complex with noeuromycin | Descriptor: | (2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-2,3,4-TRIOL, ENDOGLUCANASE H, beta-D-glucopyranose | Authors: | Meloncelli, P.J, Gloster, T.M, Money, V.A, Tarling, C.A, Davies, G.J, Withers, S.G, Stick, R.V. | Deposit date: | 2007-06-18 | Release date: | 2007-09-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | D-Glucosylated Derivatives of Isofagomine and Noeuromycin and Their Potential as Inhibitors of Beta-Glycoside Hydrolases To be Published
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1YSX
| Solution structure of domain 3 from human serum albumin complexed to an anti-apoptotic ligand directed against Bcl-xL and Bcl-2 | Descriptor: | 4-({2-[(2,4-DIMETHYLPHENYL)SULFANYL]ETHYL}AMINO)-N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITROBENZENESULFONAMIDE, Serum albumin | Authors: | Oltersdorf, T, Elmore, S.W, Shoemaker, A.R, Armstrong, R.C, Augeri, D.J, Belli, B.A, Bruncko, M, Deckwerth, T.L, Dinges, J, Hajduk, P.J, Joseph, M.K, Kitada, S, Korsmeyer, S.J, Kunzer, A.R, Letai, A, Li, C, Mitten, M.J, Nettesheim, D.G, Ng, S, Nimmer, P.M, O'Connor, J.M, Oleksijew, A, Petros, A.M, Reed, J.C, Shen, W, Tahir, S.K, Thompson, C.B, Tomaselli, K.J, Wang, B, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H. | Deposit date: | 2005-02-09 | Release date: | 2005-06-07 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | An inhibitor of Bcl-2 family proteins induces regression of solid tumours Nature, 435, 2005
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5VU3
| Crystal structure of the competence-damaged protein (CinA) superfamily protein ECL_02051 from Enterobacter cloacae | Descriptor: | ACETATE ION, Competence damage-inducible protein A, TETRAETHYLENE GLYCOL | Authors: | Stogios, P.J, Skarina, T, McChesney, C, Sandoval, J, Di Leo, R, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-05-18 | Release date: | 2017-06-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.868 Å) | Cite: | Crystal structure of the competence-damaged protein (CinA) superfamily protein ECL_02051 from Enterobacter cloacae To Be Published
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5VVF
| Crystal Structure of 354BG1 Fab | Descriptor: | 1,2-ETHANEDIOL, 354BG1 Heavy Chain, 354BG1 Light Chain | Authors: | Scharf, L, Gristick, H.B, Bjorkman, P.J. | Deposit date: | 2017-05-19 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Asymmetric recognition of HIV-1 Envelope trimer by V1V2 loop-targeting antibodies. Elife, 6, 2017
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1IHV
| SOLUTION STRUCTURE OF THE DNA BINDING DOMAIN OF HIV-1 INTEGRASE, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | HIV-1 INTEGRASE | Authors: | Clore, G.M, Lodi, P.J, Ernst, J.A, Gronenborn, A.M. | Deposit date: | 1995-05-12 | Release date: | 1996-10-14 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the DNA binding domain of HIV-1 integrase. Biochemistry, 34, 1995
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1PGE
| PROSTAGLANDIN H2 SYNTHASE-1 COMPLEXED WITH P-(2'-IODO-5'-THENOYL)HYDROTROPIC ACID (IODOSUPROFEN) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, P-(2'-IODO-5'-THENOYL)HYDROTROPIC ACID, ... | Authors: | Loll, P.J, Picot, D, Garavito, R.M. | Deposit date: | 1995-12-02 | Release date: | 1997-01-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Synthesis and use of iodinated nonsteroidal antiinflammatory drug analogs as crystallographic probes of the prostaglandin H2 synthase cyclooxygenase active site. Biochemistry, 35, 1996
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1IHW
| SOLUTION STRUCTURE OF THE DNA BINDING DOMAIN OF HIV-1 INTEGRASE, NMR, 40 STRUCTURES | Descriptor: | HIV-1 INTEGRASE | Authors: | Clore, G.M, Lodi, P.J, Ernst, J.A, Gronenborn, A.M. | Deposit date: | 1995-05-12 | Release date: | 1996-07-11 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the DNA binding domain of HIV-1 integrase. Biochemistry, 34, 1995
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1Z32
| Structure-function relationships in human salivary alpha-amylase: Role of aromatic residues | Descriptor: | 4-amino-4,6-dideoxy-alpha-D-glucopyranose, 5-HYDROXYMETHYL-CHONDURITOL, CALCIUM ION, ... | Authors: | Ramasubbu, N, Ragunath, C, Sundar, K, Mishra, P.J, Gyemant, G, Kandra, L. | Deposit date: | 2005-03-10 | Release date: | 2005-05-31 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-function relationships in human salivary alpha-amylase: Role of aromatic residues To be Published
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5NMD
| 868 TCR Specific for HLA A02 presenting HIV Epitope SLYNTVATL | Descriptor: | 1,2-ETHANEDIOL, Human T-cell Receptor, beta chain, ... | Authors: | Rizkallah, P.J, Cole, D.K, Fuller, A, Sewell, A.K. | Deposit date: | 2017-04-05 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Dual Molecular Mechanisms Govern Escape at Immunodominant HLA A2-Restricted HIV Epitope. Front Immunol, 8, 2017
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5JAO
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6VL3
| The crystal structure of the 2009 H1N1 PA endonuclease mutant I38T in complex with SJ000986436 | Descriptor: | 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | Authors: | Cuypers, M.G, Slavish, P.J, Jayaraman, S, Rankovic, Z, White, S.W. | Deposit date: | 2020-01-22 | Release date: | 2021-02-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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6VJH
| The crystal structure of the 2009 H1N1/California PA endonuclease wild type in complex with SJ000986192 | Descriptor: | 2-[2-[(cyclohexylmethyl-$l^{3}-oxidanyl)carbonylamino]propan-2-yl]-~{N}-[2-(5-methoxy-4-oxidanyl-cyclohexa-1,3,5-trien-1-yl)ethyl]-5-oxidanyl-6-oxidanylidene-pyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | Authors: | Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. | Deposit date: | 2020-01-16 | Release date: | 2021-02-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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6VIV
| The crystal structure of the 2009 H1N1 PA endonuclease mutant I38T in complex with SJ000986192 | Descriptor: | 2-[2-[(cyclohexylmethyl-$l^{3}-oxidanyl)carbonylamino]propan-2-yl]-~{N}-[2-(5-methoxy-4-oxidanyl-cyclohexa-1,3,5-trien-1-yl)ethyl]-5-oxidanyl-6-oxidanylidene-pyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | Authors: | Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. | Deposit date: | 2020-01-14 | Release date: | 2021-02-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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5JAP
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6W10
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5JJ5
| Crystal structure of iron uptake ABC transporter substrate-binding protein PiaA from Streptococcus pneumoniae Canada MDR_19A bound to hydroxymate siderophore ferrioxamine E and iron(III) | Descriptor: | (8E)-6,17,28-trihydroxy-1,6,12,17,23,28-hexaazacyclotritriacont-8-ene-2,5,13,16,24,27-hexone, ABC transporter substrate-binding protein-iron transport, CHLORIDE ION, ... | Authors: | Stogios, P.J, Wawrzak, Z, Kurdritska, M, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-04-22 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of iron uptake ABC transporter substrate-binding protein PiaA from Streptococcus pneumoniae Canada MDR_19A bound to hydroxymate siderophore ferrioxamine E and iron(III) To Be Published
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6VLL
| The crystal structure of the 2009/H1N1/California PA endonuclease mutant I38T in complex with SJ000986213 | Descriptor: | MANGANESE (II) ION, Polymerase acidic protein, SULFATE ION, ... | Authors: | Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. | Deposit date: | 2020-01-24 | Release date: | 2021-02-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | The crystal structure of the 2009 H1N1 PA endonuclease mutant I38T in complex with SJ000986213 To Be Published
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