8VTR
 
 | | Structure of FabS1CE3-EPR-1, an elbow-locked high affinity antibody for the erythropoeitin receptor (orthorhombic form) | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, CITRIC ACID, ... | | 著者 | Singer, A.U, Bruce, H.A, Pavlenco, A, Ploder, L, Luu, G, Blazer, L, Adams, J.J, Sidhu, S.S. | | 登録日 | 2024-01-26 | | 公開日 | 2024-07-10 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Antigen-binding fragments with improved crystal lattice packing and enhanced conformational flexibility at the elbow region as crystallization chaperones.
Protein Sci., 33, 2024
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8EA5
 | | NKG2D complexed with inhibitor 1a | | 分子名称: | (3S,5aS,8aR)-3-benzyl-6-[(3,5-dichlorophenyl)methyl]-1,4-dimethyloctahydropyrrolo[3,2-e][1,4]diazepine-2,5-dione, NKG2-D type II integral membrane protein, TRIETHYLENE GLYCOL | | 著者 | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | | 登録日 | 2022-08-28 | | 公開日 | 2023-05-03 | | 最終更新日 | 2023-05-10 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Identification of small-molecule protein-protein interaction inhibitors for NKG2D.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7UT3
 | | Crystal structure of complex of Fab, G10C with GalNAc-pNP | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-nitrophenyl 2-acetamido-2-deoxy-alpha-D-galactopyranoside, Fab protein heavy chain, ... | | 著者 | Li, M, Wlodawer, A. | | 登録日 | 2022-04-26 | | 公開日 | 2022-09-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Development of a GalNAc-Tyrosine-Specific Monoclonal Antibody and Detection of Tyrosine O -GalNAcylation in Numerous Human Tissues and Cell Lines.
J.Am.Chem.Soc., 144, 2022
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8EA9
 | | NKG2D complexed with inhibitor 4d | | 分子名称: | DI(HYDROXYETHYL)ETHER, N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-(dimethylamino)-2-oxoethyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide, NKG2-D type II integral membrane protein, ... | | 著者 | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | | 登録日 | 2022-08-28 | | 公開日 | 2023-05-03 | | 最終更新日 | 2023-05-10 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Identification of small-molecule protein-protein interaction inhibitors for NKG2D.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8EAB
 | | NKG2D complexed with inhibitor 4f | | 分子名称: | DI(HYDROXYETHYL)ETHER, N-[(1S)-2-oxo-1-[3-(trifluoromethyl)phenyl]-2-({4-[4-(trifluoromethyl)phenyl]pyridin-3-yl}amino)ethyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide, NKG2-D type II integral membrane protein | | 著者 | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | | 登録日 | 2022-08-28 | | 公開日 | 2023-05-03 | | 最終更新日 | 2023-05-10 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Identification of small-molecule protein-protein interaction inhibitors for NKG2D.
Proc.Natl.Acad.Sci.USA, 120, 2023
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6N69
 | | rat hPGDS complexed with a quinoline | | 分子名称: | GLUTATHIONE, Hematopoietic prostaglandin D synthase, quinoline-3-carbonitrile | | 著者 | Shewchuk, L.M, Cleasby, A. | | 登録日 | 2018-11-26 | | 公開日 | 2019-03-27 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The discovery of quinoline-3-carboxamides as hematopoietic prostaglandin D synthase (H-PGDS) inhibitors.
Bioorg. Med. Chem., 27, 2019
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8VU4
 | | Structure of FabS1CE4-EPR-1, an elbow-locked high affinity antibody for the erythropoeitin receptor | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Singer, A.U, Bruce, H.A, Pavlenco, A, Ploder, L, Luu, G, Blazer, L, Adams, J.J, Sidhu, S.S. | | 登録日 | 2024-01-28 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Antigen-binding fragments with improved crystal lattice packing and enhanced conformational flexibility at the elbow region as crystallization chaperones.
Protein Sci., 33, 2024
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8EA6
 | | NKG2D complexed with inhibitor 3e | | 分子名称: | N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide, NKG2-D type II integral membrane protein | | 著者 | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | | 登録日 | 2022-08-28 | | 公開日 | 2023-05-03 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Identification of small-molecule protein-protein interaction inhibitors for NKG2D.
Proc.Natl.Acad.Sci.USA, 120, 2023
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5N7Y
 | | Solution structure of B. subtilis Sigma G inhibitor CsfB | | 分子名称: | Anti-sigma-G factor Gin, ZINC ION | | 著者 | Martinez-Lumbreras, S, Alfano, C, Atkinson, A, Isaacson, R.L. | | 登録日 | 2017-02-21 | | 公開日 | 2018-02-28 | | 最終更新日 | 2024-06-19 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural and Functional Insights into Bacillus subtilis Sigma Factor Inhibitor, CsfB.
Structure, 26, 2018
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6N8E
 | | Crystal structure of holo-ObiF1, a five domain nonribosomal peptide synthetase from Burkholderia diffusa | | 分子名称: | 4'-PHOSPHOPANTETHEINE, 4-(4-nitrophenyl)-L-threonine, CHLORIDE ION, ... | | 著者 | Kreitler, D.F, Wencewicz, T.A, Gulick, A.M. | | 登録日 | 2018-11-29 | | 公開日 | 2019-07-24 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | The structural basis of N-acyl-alpha-amino-beta-lactone formation catalyzed by a nonribosomal peptide synthetase.
Nat Commun, 10, 2019
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8EAA
 | | NKG2D complexed with inhibitor 4e | | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, N-{(1S)-2-(dimethylamino)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxoethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide, ... | | 著者 | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | | 登録日 | 2022-08-28 | | 公開日 | 2023-05-03 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Identification of small-molecule protein-protein interaction inhibitors for NKG2D.
Proc.Natl.Acad.Sci.USA, 120, 2023
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6WFK
 | | Crystal structure of human Naa50 in complex with CoA and an inhibitor (compound 4a) identified using DNA encoded library technology | | 分子名称: | (4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, COENZYME A, N-alpha-acetyltransferase 50 | | 著者 | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | | 登録日 | 2020-04-03 | | 公開日 | 2020-07-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
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8DL2
 | | BoGH13ASus from Bacteroides ovatus bound to acarbose | | 分子名称: | 1,2-ETHANEDIOL, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | | 著者 | Brown, H.A, DeVeaux, A.L, Koropatkin, N.M. | | 登録日 | 2022-07-06 | | 公開日 | 2023-05-24 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | BoGH13A Sus from Bacteroides ovatus represents a novel alpha-amylase used for Bacteroides starch breakdown in the human gut.
Cell.Mol.Life Sci., 80, 2023
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7UJ1
 | | Crystal structure of PSF-RNA complex | | 分子名称: | RNA (30-MER), Splicing factor, proline- and glutamine-rich | | 著者 | Sachpatzidis, A, Wang, J, Konigsberg, W.H. | | 登録日 | 2022-03-30 | | 公開日 | 2022-09-28 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Insight into the Tumor Suppression Mechanism from the Structure of Human Polypyrimidine Splicing Factor (PSF/SFPQ) Complexed with a 30mer RNA from Murine Virus-like 30S Transcript-1.
Biochemistry, 61, 2022
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6MO4
 | | Co-Crystal structure of P. aeruginosa LpxC-50067 complex | | 分子名称: | MAGNESIUM ION, N-[(2R)-1-(hydroxyamino)-3-methyl-3-(methylsulfonyl)-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase | | 著者 | Stein, A.J, Assar, Z, Holt, M.C, Cohen, F, Andrews, L, Cirz, R. | | 登録日 | 2018-10-04 | | 公開日 | 2019-07-17 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.844 Å) | | 主引用文献 | Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety.
Chemmedchem, 14, 2019
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7CIC
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | 分子名称: | 2-azanyl-N-[3-(trifluoromethyloxy)phenyl]ethanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | | 著者 | Baker, L.M, Mima, M, Surgenor, A, Robertson, A. | | 登録日 | 2020-07-07 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
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6TWW
 | | Variant W229D/F290W-19 of the last common ancestor of Gram-negative bacteria beta-lactamase class A (GNCA4) | | 分子名称: | ACETATE ION, Beta-Lactamase (GNCA4), FORMIC ACID, ... | | 著者 | Gavira, J.A, Risso, V, Sanchez-Ruiz, J.M, Romero-Rivera, A, Kamerlin, S.C.L. | | 登録日 | 2020-01-13 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Enhancing ade novoenzyme activity by computationally-focused ultra-low-throughput screening.
Chem Sci, 11, 2020
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8VU1
 | | Structure of FabS1CE3-EPR-1, an elbow-locked high affinity antibody for the erythropoeitin receptor (trigonal form) | | 分子名称: | S1CE3 VARIANT OF FAB-EPR-1 heavy chain, S1CE3 VARIANT OF FAB-EPR-1 light chain | | 著者 | Singer, A.U, Bruce, H.A, Pavlenco, A, Ploder, L, Luu, G, Blazer, L, Adams, J.J, Sidhu, S.S. | | 登録日 | 2024-01-27 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (3.08 Å) | | 主引用文献 | Antigen-binding fragments with improved crystal lattice packing and enhanced conformational flexibility at the elbow region as crystallization chaperones.
Protein Sci., 33, 2024
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6WJO
 | | Crystal structure of wild-type Arginine Repressor from the pathogenic bacterium Corynebacterium pseudotuberculosis bound to tyrosine | | 分子名称: | Arginine repressor, SODIUM ION, SULFATE ION, ... | | 著者 | Nascimento, A.F.Z, Hernandez-Gonzalez, J.E, de Morais, M.A.B, Murakami, M.T, Carareto, C.M.A, Arni, R.K, Mariutti, R.B. | | 登録日 | 2020-04-14 | | 公開日 | 2020-04-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.693 Å) | | 主引用文献 | A single P115Q mutation modulates specificity in the Corynebacterium pseudotuberculosis arginine repressor.
Biochim Biophys Acta Gen Subj, 1864, 2020
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8VTP
 | | Structure of FabS1CE-EPR-1, a high affinity antibody for the erythropoeitin receptor | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, AMMONIUM ION, ... | | 著者 | Singer, A.U, Bruce, H.A, Blazer, L, Adams, J.J, Sidhu, S.S. | | 登録日 | 2024-01-26 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Antigen-binding fragments with improved crystal lattice packing and enhanced conformational flexibility at the elbow region as crystallization chaperones.
Protein Sci., 33, 2024
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8VVO
 | | Structure of FabS1CE2-EPR1-1 in complex with the erythropoietin receptor | | 分子名称: | CHLORIDE ION, Erythropoietin receptor, S1CE2 VARIANT OF FAB-EPR-1 heavy chain, ... | | 著者 | Singer, A.U, Bruce, H.A, Pavlenco, A, Ploder, L, Luu, G, Blazer, L, Adams, J.J, Sidhu, S.S. | | 登録日 | 2024-01-31 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (3.09 Å) | | 主引用文献 | Antigen-binding fragments with improved crystal lattice packing and enhanced conformational flexibility at the elbow region as crystallization chaperones.
Protein Sci., 33, 2024
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5NW8
 | | Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp032 and Fasudil | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, UPF0418 protein FAM164A, ... | | 著者 | Mueller, J.M, Heine, A, Klebe, G. | | 登録日 | 2017-05-05 | | 公開日 | 2018-05-30 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.086 Å) | | 主引用文献 | Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
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4ZJC
 | | Structures of the human OX1 orexin receptor bound to selective and dual antagonists | | 分子名称: | OLEIC ACID, [5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]{(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl}methanone, human OX1R fusion protein to P.abysii glycogen synthase | | 著者 | Yin, J, Brautigam, C.A, Shao, Z, Clark, L, Harrell, C.M, Gotter, A.L, Coleman, P.J, Renger, J.J, Rosenbaum, D.M. | | 登録日 | 2015-04-29 | | 公開日 | 2016-03-09 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.832 Å) | | 主引用文献 | Structure and ligand-binding mechanism of the human OX1 and OX2 orexin receptors.
Nat.Struct.Mol.Biol., 23, 2016
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6WZ7
 | | Mn-bound structure of a TriCyt3 variant | | 分子名称: | CALCIUM ION, CHLORIDE ION, HEME C, ... | | 著者 | Tezcan, F.A, Kakkis, A. | | 登録日 | 2020-05-13 | | 公開日 | 2020-09-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Metal-Templated Design of Chemically Switchable Protein Assemblies with High-Affinity Coordination Sites.
Angew.Chem.Int.Ed.Engl., 59, 2020
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5NSJ
 | | GP1 receptor-binding domain from Whitewater Arroyo mammarenavirus | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Pre-glycoprotein polyprotein GP complex, ... | | 著者 | Shimon, A, Shani, O, Diskin, R. | | 登録日 | 2017-04-26 | | 公開日 | 2017-08-02 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.249 Å) | | 主引用文献 | Structural Basis for Receptor Selectivity by the Whitewater Arroyo Mammarenavirus.
J. Mol. Biol., 429, 2017
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