2G25
 
 | | E. Coli Pyruvate Dehydrogenase Phosphonolactylthiamin Diphosphate Complex | | 分子名称: | 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-{(1S)-1-HYDROXY-1-[(R)-HYDROXY(METHOXY)PHOSPHORYL]ETHYL}-5-(2-{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, MAGNESIUM ION, PHOSPHATE ION, ... | | 著者 | Furey, W, Arjunan, P, Chandrasekhar, K. | | 登録日 | 2006-02-15 | | 公開日 | 2006-04-25 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | A Thiamin-bound, Pre-decarboxylation Reaction Intermediate Analogue in the Pyruvate Dehydrogenase E1 Subunit Induces Large Scale Disorder-to-Order Transformations in the Enzyme and Reveals Novel Structural Features in the Covalently Bound Adduct.
J.Biol.Chem., 281, 2006
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5EHY
 | | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach | | 分子名称: | 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 4-(furan-3-yl)-3-phenyl-2~{H}-pyrazolo[4,3-c]pyridine, ... | | 著者 | Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. | | 登録日 | 2015-10-29 | | 公開日 | 2016-04-20 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach.
J.Med.Chem., 59, 2016
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8TR3
 | | Cryo-EM structure of HmAb64 scFv in complex with CNE40 SOSIP trimer | | 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, CNE40 SOSIP Envelope glycoprotein gp120, ... | | 著者 | Chan, K.-W, Kong, X.P. | | 登録日 | 2023-08-09 | | 公開日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (3.74 Å) | | 主引用文献 | Human CD4-binding site antibody elicited by polyvalent DNA prime-protein boost vaccine neutralizes cross-clade tier-2-HIV strains.
Nat Commun, 15, 2024
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7OUB
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8CYO
 | | Nurr1 Covalently Bound to a Synthetic Ligand, 10.25, via a Disulfide Bond | | 分子名称: | 2-(3,4-dichlorophenoxy)-N-(2-sulfanylethyl)acetamide, CHLORIDE ION, Nuclear receptor subfamily 4 group A member 2 | | 著者 | Bruning, J.M, Liu, J, England, P.M. | | 登録日 | 2022-05-24 | | 公開日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Nurr1 Covalently Bound to a Synthetic Ligand, 10.25, via a Disulfide Bond
To Be Published
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7OTT
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8TEE
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8TEC
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2QTJ
 | | Solution structure of human dimeric immunoglobulin A | | 分子名称: | Ig alpha-1 chain C region, Kappa light chain IgA1 | | 著者 | Bonner, A, Furtado, P.B, Almogren, A, Kerr, M.A, Perkins, S.J. | | 登録日 | 2007-08-02 | | 公開日 | 2008-01-22 | | 最終更新日 | 2024-02-21 | | 実験手法 | SOLUTION SCATTERING | | 主引用文献 | Implications of the near-planar solution structure of human myeloma dimeric IgA1 for mucosal immunity and IgA nephropathy
J.Immunol., 180, 2008
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5EHS
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4UT7
 | | CRYSTAL STRUCTURE OF THE SCFV FRAGMENT OF THE BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 A11 | | 分子名称: | BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 A11 | | 著者 | Rouvinski, A, Guardado-Calvo, P, Barba-Spaeth, G, Duquerroy, S, Vaney, M.C, Rey, F.A. | | 登録日 | 2014-07-18 | | 公開日 | 2015-01-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses.
Nature, 520, 2015
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8U0U
 | | DdmD dimer in complex with ssDNA | | 分子名称: | DNA (5'-D(P*TP*TP*AP*TP*TP*TP*TP*TP*TP*TP*T)-3'), Helicase/UvrB N-terminal domain-containing protein | | 著者 | Bravo, J.P.K. | | 登録日 | 2023-08-29 | | 公開日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (3.04 Å) | | 主引用文献 | Plasmid targeting and destruction by the DdmDE bacterial defence system.
Nature, 630, 2024
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8U0W
 | | DdmD monomer in complex with ssDNA | | 分子名称: | DNA (5'-D(P*TP*TP*AP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), Helicase/UvrB N-terminal domain-containing protein | | 著者 | Bravo, J.P.K. | | 登録日 | 2023-08-29 | | 公開日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (2.99 Å) | | 主引用文献 | Plasmid targeting and destruction by the DdmDE bacterial defence system.
Nature, 630, 2024
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8U7G
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8DTL
 | | Cryo-EM structure of insulin receptor (IR) bound with S597 peptide | | 分子名称: | Insulin mimetic peptide S597, Insulin receptor | | 著者 | Park, J, Li, J, Mayer, J.P, Ball, K.A, Wu, J.Y, Hall, C, Accili, D, Stowell, M.H.B, Bai, X.C, Choi, E. | | 登録日 | 2022-07-25 | | 公開日 | 2022-09-07 | | 最終更新日 | 2022-10-12 | | 実験手法 | ELECTRON MICROSCOPY (5.4 Å) | | 主引用文献 | Activation of the insulin receptor by an insulin mimetic peptide.
Nat Commun, 13, 2022
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8DTM
 | | Cryo-EM structure of insulin receptor (IR) bound with S597 component 2 | | 分子名称: | Insulin mimetic peptide S597 component 2, Insulin receptor | | 著者 | Park, J, Li, J, Mayer, J.P, Ball, K.A, Wu, J.Y, Hall, C, Accili, D, Stowell, M.H.B, Bai, X.C, Choi, E. | | 登録日 | 2022-07-26 | | 公開日 | 2022-09-07 | | 最終更新日 | 2022-10-12 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Activation of the insulin receptor by an insulin mimetic peptide.
Nat Commun, 13, 2022
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5ELW
 | | A. thaliana IGPD2 in complex with the triazole-phosphonate inhibitor, (R)-C348, to 1.36A resolution | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | 著者 | Bisson, C, Britton, K.L, Sedelnikova, S.E, Rodgers, H.F, Eadsforth, T.C, Viner, R.C, Hawkes, T.R, Baker, P.J, Rice, D.W. | | 登録日 | 2015-11-05 | | 公開日 | 2016-10-05 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Mirror-Image Packing Provides a Molecular Basis for the Nanomolar Equipotency of Enantiomers of an Experimental Herbicide.
Angew.Chem.Int.Ed.Engl., 55, 2016
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8E61
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with a m-chlorophenyl dimethyl sulfane inhibitor | | 分子名称: | (1R,2S)-2-{[N-({2-[(3-chlorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({2-[(3-chlorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | | 著者 | Lovell, S, Liu, L, Battaile, K.P, Madden, T.K, Groutas, W.C. | | 登録日 | 2022-08-22 | | 公開日 | 2022-09-07 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV).
Eur.J.Med.Chem., 254, 2023
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8E6B
 | | Crystal structure of MERS 3CL protease in complex with a dimethyl sulfinyl benzene inhibitor | | 分子名称: | (2~{S})-2-[[(2~{S})-4-methyl-2-[[2-methyl-2-[oxidanyl(phenyl)-$l^{3}-sulfanyl]propoxy]carbonylamino]pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid, N~2~-(ethoxycarbonyl)-N-{(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-L-leucinamide, Orf1a protein | | 著者 | Liu, L, Lovell, S, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | 登録日 | 2022-08-22 | | 公開日 | 2022-09-07 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV).
Eur.J.Med.Chem., 254, 2023
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5EOY
 | | Pseudomonas aeruginosa SeMet-PilM bound to ADP | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Type 4 fimbrial biogenesis protein PilM | | 著者 | McCallum, M, Tammam, S, Robinson, H, Shah, M, Calmettes, C, Moraes, T, Burrows, L.L, Howell, P.L. | | 登録日 | 2015-11-10 | | 公開日 | 2016-04-27 | | 最終更新日 | 2016-06-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | PilN Binding Modulates the Structure and Binding Partners of the Pseudomonas aeruginosa Type IVa Pilus Protein PilM.
J.Biol.Chem., 291, 2016
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2R1M
 | | OpdA from Agrobacterium radiobacter with bound product diethyl phosphate from crystal soaking with diethyl 4-methoxyphenyl phosphate (450h)- 2.5 A | | 分子名称: | 1,2-ETHANEDIOL, COBALT (II) ION, DIETHYL HYDROGEN PHOSPHATE, ... | | 著者 | Ollis, D.L, Jackson, C.J, Foo, J.L, Kim, H.K, Carr, P.D, Liu, J.W, Salem, G. | | 登録日 | 2007-08-23 | | 公開日 | 2008-02-12 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | In crystallo capture of a Michaelis complex and product-binding modes of a bacterial phosphotriesterase
J.Mol.Biol., 375, 2008
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7OXO
 | | human LonP1, R-state, incubated in AMPPCP | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial | | 著者 | Abrahams, J.P, Mohammed, I, Schmitz, K.A, Schenck, N, Maier, T. | | 登録日 | 2021-06-22 | | 公開日 | 2021-12-22 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Catalytic cycling of human mitochondrial Lon protease.
Structure, 30, 2022
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2FV5
 | | Crystal structure of TACE in complex with IK682 | | 分子名称: | (2R)-N-HYDROXY-2-[(3S)-3-METHYL-3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-2-OXOPYRROLIDIN-1-YL]PROPANAMIDE, ADAM 17, ZINC ION | | 著者 | Orth, P, Niu, X. | | 登録日 | 2006-01-30 | | 公開日 | 2006-07-04 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | IK682, a tight binding inhibitor of TACE.
Arch.Biochem.Biophys., 451, 2006
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7OTO
 | | The structure of MutS bound to two molecules of AMPPNP | | 分子名称: | DNA mismatch repair protein MutS, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | 著者 | Lamers, M.H, Borsellini, A, Friedhoff, P, Kunetsky, V. | | 登録日 | 2021-06-10 | | 公開日 | 2022-01-12 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Cryogenic electron microscopy structures reveal how ATP and DNA binding in MutS coordinates sequential steps of DNA mismatch repair.
Nat.Struct.Mol.Biol., 29, 2022
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5EQ6
 | | Pseudomonas aeruginosa PilM bound to AMP-PNP | | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Type 4 fimbrial biogenesis protein PilM | | 著者 | McCallum, M, Tammam, S, Robinson, H, Shah, M, Calmettes, C, Moraes, T, Burrows, L.L, Howell, P.L. | | 登録日 | 2015-11-12 | | 公開日 | 2016-04-27 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | PilN Binding Modulates the Structure and Binding Partners of the Pseudomonas aeruginosa Type IVa Pilus Protein PilM.
J.Biol.Chem., 291, 2016
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