1NE6
 
 | | Crystal structure of Sp-cAMP binding R1a subunit of cAMP-dependent protein kinase | | 分子名称: | 6-(6-AMINO-PURIN-9-YL)-2-THIOXO-TETRAHYDRO-2-FURO[3,2-D][1,3,2]DIOXAPHOSPHININE-2,7-DIOL, cAMP-dependent protein kinase type I-alpha regulatory chain | | 著者 | Wu, J, Jones, J.M, Xuong, N.H, Taylor, S.S. | | 登録日 | 2002-12-10 | | 公開日 | 2004-01-13 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal Structures of RIalpha Subunit of Cyclic Adenosine 5'-Monophosphate (cAMP)-Dependent Protein Kinase Complexed with (R(p))-Adenosine 3',5'-Cyclic Monophosphothioate and (S(p))-Adenosine 3',5'-Cyclic Monophosphothioate, the Phosphothioate Analogues of cAMP.
Biochemistry, 43, 2004
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6B7C
 | | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with N-((1,3-dimethyl-1H-pyrazol-5-yl)methyl)-5-methyl-1H-imidazo[4,5-b]pyridin-2-amine | | 分子名称: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-5-methyl-3H-imidazo[4,5-b]pyridin-2-amine, ... | | 著者 | Proudfoot, A.W, Bussiere, D, Lingel, A. | | 登録日 | 2017-10-03 | | 公開日 | 2017-12-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.564 Å) | | 主引用文献 | High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization.
J. Am. Chem. Soc., 139, 2017
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7BO4
 | | Human Butyrylcholinesterase in complex with 3-(2-(butyl(2-cycloheptylethyl)amino)ethyl)-1H-indol-6-ol | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Brazzolotto, X, Meden, A, Knez, D, Nachon, F, Gobec, S. | | 登録日 | 2021-01-23 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.401 Å) | | 主引用文献 | From tryptophan-based amides to tertiary amines: Optimization of a butyrylcholinesterase inhibitor series.
Eur.J.Med.Chem., 234, 2022
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4ETT
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7MN5
 | | Structure of the HER2/HER3/NRG1b Heterodimer Extracellular Domain | | 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, Isoform 6 of Pro-neuregulin-1, ... | | 著者 | Diwanji, D, Trenker, R, Verba, K.A, Jura, N. | | 登録日 | 2021-04-30 | | 公開日 | 2021-10-27 | | 最終更新日 | 2024-11-13 | | 実験手法 | ELECTRON MICROSCOPY (2.93 Å) | | 主引用文献 | Structures of the HER2-HER3-NRG1 beta complex reveal a dynamic dimer interface.
Nature, 600, 2021
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2BV5
 | | CRYSTAL STRUCTURE OF THE HUMAN PROTEIN TYROSINE PHOSPHATASE PTPN5 AT 1.8A RESOLUTION | | 分子名称: | GLYCEROL, SULFATE ION, TYROSINE-PROTEIN PHOSPHATASE, ... | | 著者 | Debreczeni, J.E, Barr, A.J, Eswaran, J, Smee, C, Burgess, N, Gileadi, O, von Delft, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Knapp, S. | | 登録日 | 2005-06-22 | | 公開日 | 2005-07-14 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structures and inhibitor identification for PTPN5, PTPRR and PTPN7: a family of human MAPK-specific protein tyrosine phosphatases.
Biochem. J., 395, 2006
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5CNI
 | | mGlu2 with Glutamate | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLUTAMIC ACID, ... | | 著者 | Clawson, D.K, Atwell, S, Monn, J.A. | | 登録日 | 2015-07-17 | | 公開日 | 2015-09-09 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist.
J.Med.Chem., 58, 2015
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7MN8
 | | Structure of the HER2/HER3/NRG1b Heterodimer Extracellular Domain bound to Trastuzumab Fab | | 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, Isoform 6 of Pro-neuregulin-1, ... | | 著者 | Diwanji, D, Trenker, R, Verba, K.A, Jura, N. | | 登録日 | 2021-04-30 | | 公開日 | 2021-11-10 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (3.45 Å) | | 主引用文献 | Structures of the HER2-HER3-NRG1 beta complex reveal a dynamic dimer interface.
Nature, 600, 2021
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9C85
 | | Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with 2022-LS5 | | 分子名称: | 2-(3-fluoropropoxy)-N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]benzene-1-sulfonamide, 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[(1~{S})-1-(dioxidanyl)-1-oxidanyl-ethyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | | 著者 | Gao, Y, Guddat, L.W. | | 登録日 | 2024-06-12 | | 公開日 | 2025-06-18 | | 実験手法 | X-RAY DIFFRACTION (2.72 Å) | | 主引用文献 | Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with 2022-LS5
To Be Published
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5R09
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry B03, DMSO-free | | 分子名称: | 2-[(1~{S})-1-azanylpropyl]phenol, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | 登録日 | 2020-02-12 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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6K9G
 | | Human LXR-beta in complex with an agonist | | 分子名称: | Oxysterols receptor LXR-beta, ~{tert}-butyl (2'~{R},3~{R})-2'-[3-[4-(hydroxymethyl)-3-methylsulfonyl-phenyl]phenyl]-2-oxidanylidene-spiro[1~{H}-indole-3,3'-pyrrolidine]-1'-carboxylate | | 著者 | Zhang, Z, Zhou, H. | | 登録日 | 2019-06-15 | | 公開日 | 2020-04-22 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Discovery of new LXR beta agonists as glioblastoma inhibitors.
Eur.J.Med.Chem., 194, 2020
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5G53
 | | Structure of the adenosine A2A receptor bound to an engineered G protein | | 分子名称: | ADENOSINE RECEPTOR A2A, ENGINEERED DOMAIN OF HUMAN G ALPHA S LONG ISOFORM, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Carpenter, B, Nehme, R, Warne, T, Leslie, A.G.W, Tate, C.G. | | 登録日 | 2016-05-19 | | 公開日 | 2016-08-03 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Structure of the Adenosine A2A Receptor Bound to an Engineered G Protein
Nature, 536, 2016
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4QU3
 | | GES-2 ertapenem acyl-enzyme complex | | 分子名称: | (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase GES-2, ... | | 著者 | Stewart, N.K, Smith, C.A, Frase, H, Black, D.J, Vakulenko, S.B. | | 登録日 | 2014-07-10 | | 公開日 | 2014-12-31 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.402 Å) | | 主引用文献 | Kinetic and Structural Requirements for Carbapenemase Activity in GES-Type beta-Lactamases.
Biochemistry, 54, 2015
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4RA7
 | | Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with nafcillin | | 分子名称: | (2R,4S)-2-[(1R)-2-hydroxy-1-{[(2-hydroxynaphthalen-1-yl)carbonyl]amino}ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Peptidoglycan glycosyltransferase | | 著者 | Filippova, E.V, Minasov, G, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2014-09-09 | | 公開日 | 2014-09-24 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with nafcillin
To be Published
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2VOT
 | | Structural and biochemical evidence for a boat-like transition state in beta-mannosidases | | 分子名称: | (5R,6R,7S,8R)-6,7,8-trihydroxy-5-(hydroxymethyl)-2-[(phenylamino)methyl]-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium, 1,2-ETHANEDIOL, BETA-MANNOSIDASE, ... | | 著者 | Tailford, L.N, Offen, W.A, Smith, N, Dumon, C, Moreland, C, Gratien, J, Heck, M.-P, Stick, R.V, Bleriot, Y, Vasella, A, Gilbert, H.J, Davies, G.J. | | 登録日 | 2008-02-20 | | 公開日 | 2008-04-01 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases.
Nat.Chem.Biol., 4, 2008
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8JH2
 | | RNA polymerase II elongation complex bound with Elf1, Spt4/5 and foreign DNA, stalled at SHL(-1) of the nucleosome | | 分子名称: | DNA (218-MER), DNA (40-MER), DNA-directed RNA polymerase subunit, ... | | 著者 | Akatsu, M, Fujita, R, Ogasawara, M, Ehara, H, Kujirai, T, Takizawa, Y, Sekine, S, Kurumizaka, H. | | 登録日 | 2023-05-22 | | 公開日 | 2023-11-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | ELECTRON MICROSCOPY (5.7 Å) | | 主引用文献 | Cryo-EM structures of RNA polymerase II-nucleosome complexes rewrapping transcribed DNA.
J.Biol.Chem., 299, 2023
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3M0U
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4GS5
 | | The crystal structure of acyl-CoA synthetase (AMP-forming)/AMP-acid ligase II-like protein from Dyadobacter fermentans DSM 18053 | | 分子名称: | 1,2-ETHANEDIOL, Acyl-CoA synthetase (AMP-forming)/AMP-acid ligase II-like protein, IODIDE ION | | 著者 | Tan, K, Holowicki, J, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2012-08-27 | | 公開日 | 2012-09-12 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.018 Å) | | 主引用文献 | The crystal structure of acyl-CoA synthetase (AMP-forming)/AMP-acid ligase II-like protein from Dyadobacter fermentans DSM 18053
To be Published
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4LV2
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1O2Z
 | | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | | 分子名称: | 2-(5-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-2'-METHOXY-6-OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE, BETA-TRYPSIN, CALCIUM ION | | 著者 | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W. | | 登録日 | 2003-03-06 | | 公開日 | 2003-09-02 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease
inhibitors.
J.Mol.Biol., 329, 2003
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4RF1
 | | Crystal structure of the Middle-East respiratory syndrome coronavirus papain-like protease in complex with ubiquitin (space group P63) | | 分子名称: | 3-AMINOPROPANE, ORF1ab protein, S-1,2-PROPANEDIOL, ... | | 著者 | Bailey-Elkin, B.A, Johnson, G.G, Mark, B.L. | | 登録日 | 2014-09-24 | | 公開日 | 2014-10-22 | | 最終更新日 | 2025-03-26 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Crystal Structure of the Middle East Respiratory Syndrome Coronavirus (MERS-CoV) Papain-like Protease Bound to Ubiquitin Facilitates Targeted Disruption of Deubiquitinating Activity to Demonstrate Its Role in Innate Immune Suppression.
J.Biol.Chem., 289, 2014
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8DUA
 | | SIV E660.CR54 SOS-2P Env Trimer with ITS92.02 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, Envelope glycoprotein gp41, ... | | 著者 | Gorman, J, Kwong, P.D. | | 登録日 | 2022-07-27 | | 公開日 | 2022-10-26 | | 最終更新日 | 2024-10-30 | | 実験手法 | ELECTRON MICROSCOPY (4.32 Å) | | 主引用文献 | Cryo-EM structures of prefusion SIV envelope trimer.
Nat.Struct.Mol.Biol., 29, 2022
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1O3C
 | | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | | 分子名称: | 3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE, BETA-TRYPSIN, CALCIUM ION, ... | | 著者 | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W. | | 登録日 | 2003-03-06 | | 公開日 | 2003-09-02 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease
inhibitors.
J.Mol.Biol., 329, 2003
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4ECQ
 | | Human DNA polymerase eta- DNA ternary complex: AT crystal at pH6.8(K+ MES) with 1 Ca2+ ion | | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*TP*A)-3'), ... | | 著者 | Nakamura, T, Zhao, Y, Yang, W. | | 登録日 | 2012-03-26 | | 公開日 | 2012-07-11 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Watching DNA polymerase eta make a phosphodiester bond
Nature, 487, 2012
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7CPA
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