2YMQ
 
 | | Chloropropionic acid complex bound L-haloacid dehalogenase from a Rhodobacteraceae family bacterium | | 分子名称: | L-HALOACID DEHALOGENASE | | 著者 | Novak, H.R, Sayer, C, Isupov, M.N, Paszkiewicz, K, Gotz, D, Spragg, A.M, Littlechild, J.A. | | 登録日 | 2012-10-10 | | 公開日 | 2013-05-01 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Marine Rhodobacteraceae L-Haloacid Dehalogenase Contains a Novel His/Glu Dyad that Could Activate the Catalytic Water.
FEBS J., 280, 2013
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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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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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2Y71
 | | Structure of Mycobacterium tuberculosis type II dehydroquinase complexed with (1R,4S,5R)-1,4,5-trihydroxy-3-((5-methylbenzo(b) thiophen-2-yl)methoxy)cyclohex-2-enecarboxylate | | 分子名称: | (1R,4S,5R)-1,4,5-trihydroxy-3-[(5-methyl-1-benzothiophen-2-yl)methoxy]cyclohex-2-ene-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, SODIUM ION, ... | | 著者 | Otero, J.M, Llamas-Saiz, A.L, Fox, G.C, Tizon, L, Prazeres, V.F.V, Lamb, H, Hawkins, A.R, Ainsa, J.A, Castedo, L, Gonzalez-Bello, C, van Raaij, M.J. | | 登録日 | 2011-01-28 | | 公開日 | 2011-08-17 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | A prodrug approach for improving antituberculosis activity of potent Mycobacterium tuberculosis type II dehydroquinase inhibitors.
J. Med. Chem., 54, 2011
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2YMM
 | | Sulfate bound L-haloacid dehalogenase from a Rhodobacteraceae family bacterium | | 分子名称: | L-HALOACID DEHALOGENASE, SULFATE ION | | 著者 | Novak, H.R, Sayer, C, Isupov, M.N, Paszkiewicz, K, Gotz, D, Spragg, A.M, Littlechild, J.A. | | 登録日 | 2012-10-09 | | 公開日 | 2013-05-01 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Marine Rhodobacteraceae L-Haloacid Dehalogenase Contains a Novel His/Glu Dyad that Could Activate the Catalytic Water.
FEBS J., 280, 2013
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2Y76
 | | Structure of Mycobacterium tuberculosis type II dehydroquinase complexed with (1R,4S,5R)-3-(benzo(b)thiophen-5-ylmethoxy)-2-(benzo(b) thiophen-5-ylmethyl)-1,4,5-trihydroxycyclohex-2-enecarboxylate | | 分子名称: | (1R,4S,5R)-3-(BENZO[b]THIOPHEN-5-YL)METHOXY-2-(BENZO[b]THIOPHEN-5-YL)METHYL-1,4,5-TRIHYDROXYCYCLOHEX-2-ENE-1-CARBOXYLATE, 3-DEHYDROQUINATE DEHYDRATASE, SULFATE ION | | 著者 | Otero, J.M, Llamas-Saiz, A.L, Fox, G.C, Tizon, L, Prazeres, V.F.V, Lamb, H, Hawkins, A.R, Ainsa, J.A, Castedo, L, Gonzalez-Bello, C, van Raaij, M.J. | | 登録日 | 2011-01-28 | | 公開日 | 2011-08-17 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | A prodrug approach for improving antituberculosis activity of potent Mycobacterium tuberculosis type II dehydroquinase inhibitors.
J. Med. Chem., 54, 2011
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2Y77
 | | Structure of Mycobacterium tuberculosis type II dehydroquinase complexed with (1R,4S,5R)-3-(benzo(b)thiophen-2-ylmethoxy)-1,4,5- trihydroxy-2-(thiophen-2-ylmethyl)cyclohex-2-enecarboxylate | | 分子名称: | (1R,4S,5R)-3-(BENZO[B]THIOPHEN-2-YL)METHOXY-1,4,5-TRIHYDROXY-2-(THIEN-2-YL)METHYLCYCLOHEX-2-EN-1-CARBOXYLATE, 3-DEHYDROQUINATE DEHYDRATASE, SULFATE ION | | 著者 | Otero, J.M, Llamas-Saiz, A.L, Fox, G.C, Tizon, L, Prazeres, V.F.V, Lamb, H, Hawkins, A.R, Ainsa, J.A, Castedo, L, Gonzalez-Bello, C, van Raaij, M.J. | | 登録日 | 2011-01-28 | | 公開日 | 2011-08-17 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | A prodrug approach for improving antituberculosis activity of potent Mycobacterium tuberculosis type II dehydroquinase inhibitors.
J. Med. Chem., 54, 2011
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8T84
 | | Racemic mixture of amyloid beta segment 35-MVGGVV-40 forms heterochiral rippled beta-sheet, includes hexafluoroisopropanol | | 分子名称: | 1,1,1,3,3,3-hexafluoropropan-2-ol, Racemic mixture of amyloid beta segment 35-MVGGVV-40 | | 著者 | Sawaya, M.R, Raskatov, J.A, Hazari, A. | | 登録日 | 2023-06-21 | | 公開日 | 2023-11-29 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.101 Å) | | 主引用文献 | Racemic Peptides from Amyloid beta and Amylin Form Rippled beta-Sheets Rather Than Pleated beta-Sheets.
J.Am.Chem.Soc., 145, 2023
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8QLQ
 | | Human MST3 (STK24) kinase in complex with macrocyclic inhibitor JA310 | | 分子名称: | 1,2-ETHANEDIOL, Serine/threonine-protein kinase 24, macrocyclic inhibitor | | 著者 | Balourdas, D.I, Amrhein, J.A, Hanke, T, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | 登録日 | 2023-09-20 | | 公開日 | 2023-11-08 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Synthesis of Pyrazole-Based Macrocycles Leads to a Highly Selective Inhibitor for MST3.
J.Med.Chem., 67, 2024
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3BHT
 | | Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor meriolin 3 | | 分子名称: | 4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine, Cell division protein kinase 2, Cyclin-A2, ... | | 著者 | Echalier, A, Bettayeb, K, Ferandin, Y, Lozach, O, Clement, M, Valette, A, Liger, F, Marquet, B, Morris, J.C, Endicott, J.A, Joseph, B, Meijer, L. | | 登録日 | 2007-11-29 | | 公開日 | 2008-02-12 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Meriolins, a new class of cell death inducing kinase inhibitors with enhanced selectivity for cyclin-dependent kinases
Cancer Res., 67, 2007
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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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8SPK
 | | Crystal structure of Antarctic PET-degrading enzyme | | 分子名称: | Lipase 1, MALONATE ION | | 著者 | Furtado, A.A, Blazquez-Sanchez, P, Grinen, A, Vargas, J.A, Leonardo, D.A, Sculaccio, S.A, Pereira, H.M, Diez, B, Garratt, R.C, Ramirez-Sarmiento, C.A. | | 登録日 | 2023-05-03 | | 公開日 | 2023-08-23 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Engineering the catalytic activity of an Antarctic PET-degrading enzyme by loop exchange.
Protein Sci., 32, 2023
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8T86
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8T82
 | | Racemic mixture of amyloid beta segment 35-MVGGVV-40 forms heterochiral rippled beta-sheet, includes pentafluoropropionic acid | | 分子名称: | amyloid beta segment 35-MVGGVV-40, racemic mixture, pentafluoropropanoic acid | | 著者 | Sawaya, M.R, Raskatov, J.A, Hazari, A. | | 登録日 | 2023-06-21 | | 公開日 | 2023-11-29 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Racemic Peptides from Amyloid beta and Amylin Form Rippled beta-Sheets Rather Than Pleated beta-Sheets.
J.Am.Chem.Soc., 145, 2023
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3BHV
 | | Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor variolin B | | 分子名称: | 9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-c]pyrimidin-4-ol, Cell division protein kinase 2, Cyclin-A2, ... | | 著者 | Echalier, A, Bettayeb, K, Ferandin, Y, Lozach, O, Clement, M, Valette, A, Liger, F, Marquet, B, Morris, J.C, Endicott, J.A, Joseph, B, Meijer, L. | | 登録日 | 2007-11-29 | | 公開日 | 2008-02-12 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Meriolins, a new class of cell death inducing kinase inhibitors with enhanced selectivity for cyclin-dependent kinases
Cancer Res., 67, 2007
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8T89
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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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8SOQ
 | | S127A variant of LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with authentic substrate NaAD | | 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 | 2023-04-29 | | 公開日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (3.1 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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8R7G
 | | Crystal structure of the kinase domain of ACVR1 (ALK2) with M4K2234 | | 分子名称: | 2-fluoranyl-6-methoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridin-3-yl]benzamide, Activin receptor type I | | 著者 | Williams, E.P, Cros, J, Ensan, D, Smil, D, Edwards, A.M, O'Meara, J.A, Fernandez-Cid, A, Isaac, M.B, Al-awar, R, Bullock, A.N. | | 登録日 | 2023-11-24 | | 公開日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Targeting ALK2: An Open Science Approach to Developing Therapeutics for the Treatment of Diffuse Intrinsic Pontine Glioma.
J.Med.Chem., 63, 2020
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8T1N
 | | Micro-ED Structure of a Novel Domain of Unknown Function Solved with AlphaFold | | 分子名称: | DUF1842 domain-containing protein | | 著者 | Miller, J.E, Cascio, D, Sawaya, M.R, Cannon, K.A, Rodriguez, J.A, Yeates, T.O. | | 登録日 | 2023-06-02 | | 公開日 | 2024-01-17 | | 最終更新日 | 2024-04-10 | | 実験手法 | ELECTRON CRYSTALLOGRAPHY (3 Å) | | 主引用文献 | AlphaFold-assisted structure determination of a bacterial protein of unknown function using X-ray and electron crystallography.
Acta Crystallogr D Struct Biol, 80, 2024
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8T1H
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8SP2
 | | Crystal structure of metformin hydrolase (MfmAB) from Pseudomonas mendocina sp. MET-2 apo form | | 分子名称: | NICKEL (II) ION, metformin hydrolase subunit A, metformin hydrolase subunit B | | 著者 | Tassoulas, L.J, Rankin, J.A, Elias, M.H, Wackett, L.P. | | 登録日 | 2023-05-01 | | 公開日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Dinickel enzyme evolved to metabolize the pharmaceutical metformin and its implications for wastewater and human microbiomes.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8SNF
 | | Crystal structure of metformin hydrolase (MfmAB) from Pseudomonas mendocina sp. MET-2 with Ni2+2 bound | | 分子名称: | NICKEL (II) ION, metformin hydrolase subunit A, metformin hydrolase subunit B | | 著者 | Tassoulas, L.J, Rankin, J.A, Elias, M.H, Wackett, L.P. | | 登録日 | 2023-04-27 | | 公開日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Dinickel enzyme evolved to metabolize the pharmaceutical metformin and its implications for wastewater and human microbiomes.
Proc.Natl.Acad.Sci.USA, 121, 2024
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3BJ4
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8SNK
 | | Crystal structure of metformin hydrolase (MfmAB) from Pseudomonas mendocina sp. MET-2 mutant (MfmA/D188N) | | 分子名称: | ZINC ION, metformin hydrolase subunit A, metformin hydrolase subunit B | | 著者 | Tassoulas, L.J, Rankin, J.A, Elias, M.H, Wackett, L.P. | | 登録日 | 2023-04-27 | | 公開日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Dinickel enzyme evolved to metabolize the pharmaceutical metformin and its implications for wastewater and human microbiomes.
Proc.Natl.Acad.Sci.USA, 121, 2024
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