5EO3
 
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5EOC
 | | Crystal structure of Fab C2 in complex with a Cyclic variant of Hepatitis C Virus E2 epitope I | | Descriptor: | ALA-CYS-GLN-LEU-ILE-ASN-THR-ASN-GLY-SER-TRP-HIS-ILE-CYS, Fab fragment (Heavy chain), Fab fragment (Light chain) | | Authors: | Berisio, R, Ruggiero, A, Sandomenico, A, Patel, A.H, Ruvo, M, Vitagliano, L. | | Deposit date: | 2015-11-10 | | Release date: | 2016-02-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Generation and Characterization of Monoclonal Antibodies against a Cyclic Variant of Hepatitis C Virus E2 Epitope 412-422.
J.Virol., 90, 2016
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5EYH
 | | Crystal Structure of IMPase/NADP phosphatase complexed with NADP and Ca2+ at pH 7.0 | | Descriptor: | CALCIUM ION, GLYCEROL, Inositol monophosphatase, ... | | Authors: | Bhattacharyya, S, Dutta, D, Ghosh, A.K, Das, A.K. | | Deposit date: | 2015-11-25 | | Release date: | 2015-12-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural elucidation of the NADP(H) phosphatase activity of staphylococcal dual-specific IMPase/NADP(H) phosphatase
Acta Crystallogr D Struct Biol, 72, 2016
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3O6Y
 | | Robust computational design, optimization, and structural characterization of retroaldol enzymes | | Descriptor: | Retro-Aldolase, SULFATE ION | | Authors: | Althoff, E.A, Wang, L, Jiang, L, Moody, J, Bolduc, J, Lassila, J.K, Wang, Z.Z, Smith, M, Hari, S, Herschlag, D, Stoddard, B.L, Baker, D. | | Deposit date: | 2010-07-29 | | Release date: | 2011-06-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.091 Å) | | Cite: | Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design.
J.Mol.Biol., 415, 2012
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5EYG
 | | Crystal structure of IMPase/NADP phosphatase complexed with NADP and Ca2+ | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Bhattacharyya, S, Dutta, D, Ghosh, A.K, Das, A.K. | | Deposit date: | 2015-11-25 | | Release date: | 2015-12-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural elucidation of the NADP(H) phosphatase activity of staphylococcal dual-specific IMPase/NADP(H) phosphatase
Acta Crystallogr D Struct Biol, 72, 2016
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5EW1
 | | Human thrombin sandwiched between two DNA aptamers: HD22 and HD1-deltaT3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, HD1-deltaT3, ... | | Authors: | Pica, A, Russo Krauss, I, Parente, V, Sica, F. | | Deposit date: | 2015-11-20 | | Release date: | 2016-11-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Through-bond effects in the ternary complexes of thrombin sandwiched by two DNA aptamers.
Nucleic Acids Res., 45, 2017
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5EW2
 | | Human thrombin sandwiched between two DNA aptamers: HD22 and HD1-deltaT12 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, HD1-deltaT12, ... | | Authors: | Pica, A, Russo Krauss, I, Parente, V, Sica, F. | | Deposit date: | 2015-11-20 | | Release date: | 2016-11-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.59 Å) | | Cite: | Through-bond effects in the ternary complexes of thrombin sandwiched by two DNA aptamers.
Nucleic Acids Res., 45, 2017
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8Z3S
 | | Activation mechanism and novel binding site of the BKCa channel activator CTIBD | | Descriptor: | 4-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzene-1,3-diol, CALCIUM ION, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Lee, N, Kim, S, Jo, H, Lee, N.Y, Jin, M.S, Park, C.S. | | Deposit date: | 2024-04-16 | | Release date: | 2024-07-31 | | Last modified: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Activation mechanism and novel binding sites of the BK Ca channel activator CTIBD.
Life Sci Alliance, 7, 2024
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3DA6
 | | Crystal Structure of human JNK3 complexed with N-(3-methyl-4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)-1H-benzo[d]imidazol-2-amine | | Descriptor: | Mitogen-activated protein kinase 10, N-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-1H-benzimidazol-2-amine | | Authors: | Cee, V.J, Cheng, A.C, Romero, K, Bellon, S, Mohr, C, Whittington, D.A, Bready, J, Caenepeel, S, Coxon, A, Deak, H.L, Hodous, B.L, Kim, J.L, Lin, J, Nguyen, H, Olivieri, P.R, Patel, V.F, Wang, L, Hughes, P, Geuns-Meyer, S. | | Deposit date: | 2008-05-28 | | Release date: | 2009-01-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase
Bioorg.Med.Chem.Lett., 19, 2009
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5FTV
 | | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... | | Authors: | Alphey, M.S, Tran, F, Westwood, N.J, Naismith, J.H. | | Deposit date: | 2016-01-18 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.213 Å) | | Cite: | Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa.
To be Published
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5GHZ
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5FDL
 | | Crystal Structure of K103N/Y181C Mutant HIV-1 Reverse Transcriptase (RT) in Complex with IDX899 | | Descriptor: | P51 Reverse transcriptase, P66 Reverse transcriptase, methyl (R)-(2-carbamoyl-5-chloro-1H-indol-3-yl)[3-(2-cyanoethyl)-5-methylphenyl]phosphinate | | Authors: | Dousson, C.B, Alexandre, F.-R, Convard, T, Fisher, M, Lamers, M.B.A.C, Leonard, P.M. | | Deposit date: | 2015-12-16 | | Release date: | 2016-02-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Discovery of the Aryl-phospho-indole IDX899, a Highly Potent Anti-HIV Non-nucleoside Reverse Transcriptase Inhibitor.
J.Med.Chem., 59, 2016
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5FTS
 | | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... | | Authors: | Alphey, M.S, Tran, F, Westwood, N.J, Naismith, J.H. | | Deposit date: | 2016-01-14 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa.
To be Published
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5FGY
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5FHT
 | | HtrA2 protease mutant V226K | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, POTASSIUM ION, ... | | Authors: | Golik, P, Dubin, G, Zurawa-Janicka, D, Lipinska, B, Jarzab, M, Wenta, T, Gieldon, A, Ciarkowski, A. | | Deposit date: | 2015-12-22 | | Release date: | 2016-09-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Distinct 3D Architecture and Dynamics of the Human HtrA2(Omi) Protease and Its Mutated Variants.
Plos One, 11, 2016
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5FYE
 | | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... | | Authors: | Alphey, M.S, Tran, F, Westwood, N.J, Naismith, J.H. | | Deposit date: | 2016-03-07 | | Release date: | 2017-03-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa.
To be Published
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5FU8
 | | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... | | Authors: | Alphey, M.S, Tran, F, Westwood, N.J, Naismith, J.H. | | Deposit date: | 2016-01-21 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa.
To be Published
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5FBN
 | | BTK kinase domain with inhibitor 1 | | Descriptor: | 1,2-ETHANEDIOL, 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-[8-azanyl-3-[(3~{R})-1-(3-methyloxetan-3-yl)carbonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide, ... | | Authors: | Raaijmakers, H.C.A, Vu-Pham, D. | | Deposit date: | 2015-12-14 | | Release date: | 2016-02-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of 8-Amino-imidazo[1,5-a]pyrazines as Reversible BTK Inhibitors for the Treatment of Rheumatoid Arthritis.
Acs Med.Chem.Lett., 7, 2016
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5H08
 | | Human PTPRZ D1 domain complexed with NAZ2329 | | Descriptor: | 3-{[2-Ethoxy-5-(trifluoromethyl)benzyl]sulfanyl}-N-(phenylsulfonyl)thiophene-2-carboxamide, Receptor-type tyrosine-protein phosphatase zeta | | Authors: | Sugawara, H. | | Deposit date: | 2016-10-04 | | Release date: | 2017-07-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Targeting PTPRZ inhibits stem cell-like properties and tumorigenicity in glioblastoma cells
Sci Rep, 7, 2017
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5F24
 | | Crystal structure of dual specific IMPase/NADP phosphatase bound with D-inositol-1-phosphate | | Descriptor: | CALCIUM ION, CHLORIDE ION, D-MYO-INOSITOL-1-PHOSPHATE, ... | | Authors: | Bhattacharyya, S, Dutta, D, Ghosh, A.K, Das, A.K. | | Deposit date: | 2015-12-01 | | Release date: | 2015-12-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural elucidation of the NADP(H) phosphatase activity of staphylococcal dual-specific IMPase/NADP(H) phosphatase
Acta Crystallogr D Struct Biol, 72, 2016
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5F9T
 | | Crystal Structure of Streptococcus pneumoniae NanC, covalent complex with a fluorinated Neu5Ac derivative | | Descriptor: | (2R,3R,4R,5R,6R)-5-acetamido-2,3-difluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxylic acid, 5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, GLYCEROL, ... | | Authors: | Owen, C.D, Lukacik, P, Potter, J.A, Walsh, M, Taylor, G.L. | | Deposit date: | 2015-12-10 | | Release date: | 2015-12-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Streptococcus pneumoniae NanC: STRUCTURAL INSIGHTS INTO THE SPECIFICITY AND MECHANISM OF A SIALIDASE THAT PRODUCES A SIALIDASE INHIBITOR.
J.Biol.Chem., 290, 2015
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5FKM
 | | TetR(D) T103A mutant in complex with anhydrotetracycline and magnesium, I4(1)22 | | Descriptor: | 5A,6-ANHYDROTETRACYCLINE, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Werten, S, Schneider, J, Palm, G.J, Hinrichs, W. | | Deposit date: | 2015-10-17 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Modular Organisation of Inducer Recognition and Allostery in the Tetracycline Repressor
FEBS J., 283, 2016
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5FU0
 | | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... | | Authors: | Alphey, M.S, Tran, F, Westwood, N.J, Naismith, J.H. | | Deposit date: | 2016-01-19 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa.
To be Published
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5HBL
 | | Native rhodanese domain of YgaP prepared with 1mM DDT is S-nitrosylated | | Descriptor: | Inner membrane protein YgaP | | Authors: | Eichmann, C, Tzitzilonis, C, Nakamura, T, Kwiatkowski, W, Maslennikov, I, Choe, S, Lipton, S.A, Riek, R. | | Deposit date: | 2015-12-31 | | Release date: | 2016-08-10 | | Last modified: | 2021-09-08 | | Method: | X-RAY DIFFRACTION (1.617 Å) | | Cite: | S-Nitrosylation Induces Structural and Dynamical Changes in a Rhodanese Family Protein.
J.Mol.Biol., 428, 2016
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5H94
 | | Crystal structure of Swine MHC CLASSI for 1.48 angstroms | | Descriptor: | Beta-2-microglobulin, MHC class I antigen, Nonapeptide from Influenza A virus HA protein | | Authors: | Fan, S, Zhang, N, Wang, S, Wu, Y, Xia, C. | | Deposit date: | 2015-12-25 | | Release date: | 2016-05-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Structural and Biochemical Analyses of Swine Major Histocompatibility Complex Class I Complexes and Prediction of the Epitope Map of Important Influenza A Virus Strains
J.Virol., 90, 2016
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