8RIV
 
 | | T2R-TTL-1-K08 complex | | 分子名称: | (4-fluoranyl-2-methyl-1~{H}-indol-5-yl) 3,4,5-trimethoxybenzenesulfonate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | 著者 | Boiarska, Z, Homer, J.A, Steinmetz, M.O, Moses, J.E, Prota, A.E.P. | | 登録日 | 2023-12-19 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | | 主引用文献 | Modular synthesis of functional libraries by accelerated SuFEx click chemistry.
Chem Sci, 15, 2024
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8RHF
 | | Lytic Transglycosylase MltD of Pseudomonas aeruginosa bound to the Natural Product Bulgecin A, with two LysM domains | | 分子名称: | 4-O-(4-O-SULFONYL-N-ACETYLGLUCOSAMININYL)-5-METHYLHYDROXY-L-PROLINE-TAURINE, DI(HYDROXYETHYL)ETHER, LysM peptidoglycan-binding domain-containing protein, ... | | 著者 | Miguel-Ruano, V, Hermoso, J.A. | | 登録日 | 2023-12-15 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structural characterization of lytic transglycosylase MltD of Pseudomonas aeruginosa, a target for the natural product bulgecin A.
Int.J.Biol.Macromol., 267, 2024
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8RHI
 | | Lytic Transglycosylase MltD of Pseudomonas aeruginosa in a ternary complex bound to Bulgecin A and chito-tetraose | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-O-(4-O-SULFONYL-N-ACETYLGLUCOSAMININYL)-5-METHYLHYDROXY-L-PROLINE-TAURINE, ... | | 著者 | Miguel-Ruano, V, Hermoso, J.A. | | 登録日 | 2023-12-15 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Structural characterization of lytic transglycosylase MltD of Pseudomonas aeruginosa, a target for the natural product bulgecin A.
Int.J.Biol.Macromol., 267, 2024
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6J7P
 | | Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant E146Q co-expressed with TakA from Mycobacterium tuberculosis | | 分子名称: | MAGNESIUM ION, guanylyltransferase-like toxin | | 著者 | Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S. | | 登録日 | 2019-01-18 | | 公開日 | 2020-05-13 | | 最終更新日 | 2020-05-20 | | 実験手法 | X-RAY DIFFRACTION (2.629 Å) | | 主引用文献 | Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism.
Commun Biol, 3, 2020
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8RIW
 | | T2R-TTL-1-L01 complex | | 分子名称: | (2-methyl-1~{H}-indol-5-yl) 3,4,5-trimethoxybenzenesulfonate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | 著者 | Prota, A.E.P, Boiarska, Z, Homer, J.A, Steinmetz, M.O, Moses, J.E. | | 登録日 | 2023-12-19 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | Modular synthesis of functional libraries by accelerated SuFEx click chemistry.
Chem Sci, 15, 2024
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6J7Q
 | | Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant S78A from Mycobacterium tuberculosis | | 分子名称: | CALCIUM ION, MAGNESIUM ION, guanylyltransferase-like toxin | | 著者 | Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S. | | 登録日 | 2019-01-18 | | 公開日 | 2020-05-13 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism.
Commun Biol, 3, 2020
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8SPA
 | | Structural insights into cellular control of the human CPEB3 prion, functionally regulated by a labile-amyloid-forming segment | | 分子名称: | Cytoplasmic polyadenylation element-binding protein 3 | | 著者 | Flores, M.D, Sawaya, M.R, Boyer, D.R, Zink, S, Fioriti, L, Rodriguez, J.A. | | 登録日 | 2023-05-02 | | 公開日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structure of a reversible amyloid fibril formed by the CPEB3 prion-like domain reveals a core sequence involved in translational regulation
To Be Published
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8STD
 | | S127A variant of LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with authentic substrate NaAD and soaked with CS2 | | 分子名称: | MAGNESIUM ION, NICOTINIC ACID ADENINE DINUCLEOTIDE, Pyridinium-3,5-biscarboxylic acid mononucleotide synthase | | 著者 | Chatterjee, S, Rankin, J.A, Hu, J, Hausinger, R.P. | | 登録日 | 2023-05-10 | | 公開日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Structure of the LarB-Substrate Complex and Identification of a Reaction Intermediate during Nickel-Pincer Nucleotide Cofactor Biosynthesis.
Biochemistry, 62, 2023
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1Z71
 | | thrombin and P2 pyridine N-oxide inhibitor complex structure | | 分子名称: | Hirudin IIIB', L17, thrombin | | 著者 | Nantermet, P.G, Burgey, C.S, Robinson, K.A, Pellicore, J.M, Newton, C.L, Deng, J.Z, Lyle, T.A, Selnick, H.G, Lewis, S.D, Lucas, B.J, Krueger, J.A, Miller-Stein, C, White, R.B, Wong, B, McMasters, D.R, Wallace, A.A, Lynch Jr, J.J, Yan, Y, Chen, Z, Kuo, L, Gardell, S.J, Shafer, J.A, Vacca, J.P. | | 登録日 | 2005-03-23 | | 公開日 | 2005-05-17 | | 最終更新日 | 2017-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | P(2) pyridine N-oxide thrombin inhibitors: a novel peptidomimetic scaffold
BIOORG.MED.CHEM.LETT., 15, 2005
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8T5X
 | | Probing the dissociation pathway of a kinetically labile transthyretin mutant (A25T) | | 分子名称: | Transthyretin | | 著者 | Ferguson, J.A, Sun, X, Leach, B.I, Stanfield, R.L, Dyson, H.J, Wright, P.E. | | 登録日 | 2023-06-14 | | 公開日 | 2023-08-02 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Probing the Dissociation Pathway of a Kinetically Labile Transthyretin Mutant.
J.Am.Chem.Soc., 146, 2024
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8TB0
 | | Cryo-EM Structure of GPR61-G protein complex stabilized by scFv16 | | 分子名称: | GPR61 fused to dominant negative G alpha S/I N18 chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | 著者 | Lees, J.A, Dias, J.M, Han, S. | | 登録日 | 2023-06-28 | | 公開日 | 2023-10-04 | | 実験手法 | ELECTRON MICROSCOPY (3.47 Å) | | 主引用文献 | An inverse agonist of orphan receptor GPR61 acts by a G protein-competitive allosteric mechanism.
Nat Commun, 14, 2023
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8TB7
 | | Cryo-EM Structure of GPR61- | | 分子名称: | 6-{[(3,5-difluoropyridin-4-yl)methyl]amino}-N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methoxy-N-(2-methoxyethyl)pyridine-3-sulfonamide, Fab hinge-binding nanobody, Fab24 BAK5 heavy chain, ... | | 著者 | Lees, J.A, Dias, J.M, Han, S. | | 登録日 | 2023-06-28 | | 公開日 | 2023-10-04 | | 実験手法 | ELECTRON MICROSCOPY (2.94 Å) | | 主引用文献 | An inverse agonist of orphan receptor GPR61 acts by a G protein-competitive allosteric mechanism.
Nat Commun, 14, 2023
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8THR
 | | Structure of the human vesicular monoamine transporter 2 (VMAT2) bound to tetrabenazine in an occluded conformation | | 分子名称: | (3S,5R,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one, fluorescent protein mVenus,Synaptic vesicular amine transporter,GFP nano body,Synaptic vesicular amine transporter,Synaptic vesicular amine transporter | | 著者 | Dalton, M.P, Coleman, J.A. | | 登録日 | 2023-07-17 | | 公開日 | 2023-10-25 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (3.12 Å) | | 主引用文献 | Structural mechanisms for VMAT2 inhibition by tetrabenazine.
Elife, 12, 2024
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5WHK
 | | Crystal structure of Fab fragment of antibody DX-2507 bound to FcRn-B2M | | 分子名称: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Beta-2-microglobulin, ... | | 著者 | Edwards, T.E, Clifton, M.C, Nixon, A.E, Kenniston, J.A. | | 登録日 | 2017-07-17 | | 公開日 | 2017-09-06 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural basis for pH-insensitive inhibition of immunoglobulin G recycling by an anti-neonatal Fc receptor antibody.
J. Biol. Chem., 292, 2017
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7N44
 | | Crystal structure of the SARS-CoV-2 (2019-NCoV) main protease in complex with 5-(3-{3-chloro-5-[(5-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione (compound 13) | | 分子名称: | 3C-like proteinase, 5-(3-{3-chloro-5-[(5-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione | | 著者 | Reilly, R.A, Zhang, C.H, Deshmukh, M.G, Ippolito, J.A, Hollander, K, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2021-06-03 | | 公開日 | 2021-07-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Optimization of Triarylpyridinone Inhibitors of the Main Protease of SARS-CoV-2 to Low-Nanomolar Antiviral Potency.
Acs Med.Chem.Lett., 12, 2021
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5WCO
 | | Matrix Protein (M1) of Infectious Salmon Anaemia Virus | | 分子名称: | NS2 | | 著者 | Zhang, W, Zheng, W, Toh, Y, Betancourt, M.A, Tu, J, Fan, Y, Vakharia, V, Liu, J, McNew, J.A, Jin, M, Tao, Y.J. | | 登録日 | 2017-07-01 | | 公開日 | 2017-08-16 | | 最終更新日 | 2019-12-11 | | 実験手法 | X-RAY DIFFRACTION (2.604 Å) | | 主引用文献 | Crystal structure of an orthomyxovirus matrix protein reveals mechanisms for self-polymerization and membrane association.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5WDJ
 | | CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-6 AKA 7-(BENZYLOXY)-1H-[1,2, 3]TRIAZOLO[4,5-D]PYRIMIDIN-5-AMINE | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(benzyloxy)-1H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine, CALCIUM ION, ... | | 著者 | Khan, J.A. | | 登録日 | 2017-07-05 | | 公開日 | 2018-04-18 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Triazolopyrimidines identified as reversible myeloperoxidase inhibitors.
Medchemcomm, 8, 2017
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5WWP
 | | Crystal structure of Middle East respiratory syndrome coronavirus helicase (MERS-CoV nsp13) | | 分子名称: | ORF1ab, SULFATE ION, ZINC ION | | 著者 | Hao, W, Wojdyla, J.A, Zhao, R, Han, R, Das, R, Zlatev, I, Manoharan, M, Wang, M, Cui, S. | | 登録日 | 2017-01-03 | | 公開日 | 2017-07-05 | | 最終更新日 | 2021-09-15 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Crystal structure of Middle East respiratory syndrome coronavirus helicase
PLoS Pathog., 13, 2017
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7NKW
 | | Endothiapepsin structure obtained at 298K after a soaking with fragment JFD03909 from a dataset collected with JUNGFRAU detector | | 分子名称: | DIMETHYL SULFOXIDE, Endothiapepsin | | 著者 | Engilberge, S, Huang, C.-Y, Leonarski, F, Wojdyla, J.A, Marsh, M, Olieric, V, Wang, M. | | 登録日 | 2021-02-19 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Endothiapepsin structure obtained at 298K after a soaking with fragment JFD03909 from a dataset collected with JUNGFRAU detector
To Be Published
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5XC5
 | | Crystal structure of Acanthamoeba polyphaga mimivirus Rab GTPase in complex with GTP | | 分子名称: | ACETATE ION, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Ku, B, You, J.A, Kim, S.J. | | 登録日 | 2017-03-22 | | 公開日 | 2017-10-25 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.398 Å) | | 主引用文献 | Crystal structures of two forms of the Acanthamoeba polyphaga mimivirus Rab GTPase
Arch. Virol., 162, 2017
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7N2Z
 | | Crystal Structure of a de Novo Three-stranded Coiled Coil Peptide Containing Trigonal Pyrmidal Pb(II) complexes in the dual Tris-thiolate Site | | 分子名称: | CHLORIDE ION, LEAD (II) ION, Pb(II)2-(GRAND CoilSerL16CL23C)3, ... | | 著者 | Ruckthong, L, Stuckey, J.A, Pecoraro, V.L. | | 登録日 | 2021-05-30 | | 公開日 | 2022-06-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | | 主引用文献 | Open Reading Frame 1 Protein of the Human Long Interspersed Nuclear Element 1 Retrotransposon Binds Multiple Equivalents of Lead.
J.Am.Chem.Soc., 143, 2021
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7N2Y
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7N8V
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7N8W
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7NTM
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