1PRO
 
 | | HIV-1 PROTEASE DIMER COMPLEXED WITH A-98881 | | 分子名称: | (5R,6R)-2,4-BIS-(4-HYDROXY-3-METHOXYBENZYL)-1,5-DIBENZYL-3-OXO-6-HYDROXY-1,2,4-TRIAZACYCLOHEPTANE, HIV-1 PROTEASE | | 著者 | Park, C.H, Kong, X.P, Dealwis, C.G. | | 登録日 | 1995-07-18 | | 公開日 | 1996-08-17 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | A novel, picomolar inhibitor of human immunodeficiency virus type 1 protease.
J.Med.Chem., 39, 1996
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3PAQ
 | | Surfactant Protein A neck and carbohydrate recognition domain (NCRD) complexed with alpha-methylmannose | | 分子名称: | CALCIUM ION, Pulmonary surfactant-associated protein A, SODIUM ION, ... | | 著者 | Shang, F, Rynkiewicz, M.J, McCormack, F.X, Wu, H, Cafarella, T.M, Head, J, Seaton, B.A. | | 登録日 | 2010-10-19 | | 公開日 | 2010-11-03 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystallographic complexes of surfactant protein A and carbohydrates reveal ligand-induced conformational change.
J.Biol.Chem., 286, 2011
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3ZUD
 | | THERMOASCUS GH61 ISOZYME A | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Otten, H, Quinlan, R.J, Sweeney, M.D, Poulsen, J.-C.N, Johansen, K.S, Krogh, K.B.R.M, Joergensen, C.I, Tovborg, M, Anthonsen, A, Tryfona, T, Walter, C.P, Dupree, P, Xu, F, Davies, G.J, Walton, P.H, Lo Leggio, L. | | 登録日 | 2011-07-18 | | 公開日 | 2011-09-07 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Insights Into the Oxidative Degradation of Cellulose by a Copper Metalloenzyme that Exploits Biomass Components.
Proc.Natl.Acad.Sci.USA, 108, 2011
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7VVR
 | | Bovine cytochrome c oxidese in CN-bound mixed valence state at 50 K | | 分子名称: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | 著者 | Shimada, A, Tsukihara, T. | | 登録日 | 2021-11-08 | | 公開日 | 2022-11-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Crystallographic cyanide-probing for cytochrome c oxidase reveals structural bases suggesting that a putative proton transfer H-pathway pumps protons.
J.Biol.Chem., 299, 2023
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7VUW
 | | Bovine heart cytochrome c oxidase in the cyanide-bound fully oxidized state at 50 K | | 分子名称: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | 著者 | Shimada, A, Tsukihara, T. | | 登録日 | 2021-11-04 | | 公開日 | 2022-11-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystallographic cyanide-probing for cytochrome c oxidase reveals structural bases suggesting that a putative proton transfer H-pathway pumps protons.
J.Biol.Chem., 299, 2023
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7YJ6
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3MTF
 | | Crystal structure of the ACVR1 kinase in complex with a 2-aminopyridine inhibitor | | 分子名称: | 1,2-ETHANEDIOL, 3-[6-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenol, Activin receptor type-1, ... | | 著者 | Chaikuad, A, Sanvitale, C, Cooper, C, Mahajan, P, Daga, N, Petrie, K, Alfano, I, Canning, P, Krojer, T, Vollmar, M, Knapp, S, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | | 登録日 | 2010-04-30 | | 公開日 | 2010-06-23 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | A new class of small molecule inhibitor of BMP signaling.
Plos One, 8, 2013
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7YJA
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3MTN
 | | Usp21 in complex with a ubiquitin-based, USP21-specific inhibitor | | 分子名称: | CHLORIDE ION, GLYCEROL, UBIQUITIN VARIANT UBV.21.4, ... | | 著者 | Walker, J.R, Avvakumov, G.V, Xue, S, Li, Y, Ernst, A, Sidhu, S, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | 登録日 | 2010-04-30 | | 公開日 | 2010-06-09 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | A strategy for modulation of enzymes in the ubiquitin system.
Science, 339, 2013
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3KWF
 | | human DPP-IV with carmegliptin (S)-1-((2S,3S,11bS)-2-Amino-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-3-yl)-4-fluoromethyl-pyrrolidin-2-one | | 分子名称: | (4S)-1-[(2S,3S,11bS)-2-amino-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-3-yl]-4-(fluoromethyl)pyrrolidin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4 | | 著者 | Hennig, M, Stihle, M, Thoma, R. | | 登録日 | 2009-12-01 | | 公開日 | 2010-01-12 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Discovery of carmegliptin: A potent and long-acting dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes.
Bioorg.Med.Chem.Lett., 20, 2010
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2UUX
 | | Structure of the tryptase inhibitor TdPI from a tick | | 分子名称: | SULFATE ION, TRYPTASE INHIBITOR | | 著者 | Siebold, C, Paesen, G.C, Harlos, K, Peacey, M.F, Nuttall, P.A, Stuart, D.I. | | 登録日 | 2007-03-08 | | 公開日 | 2007-04-03 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | A Tick Protein with a Modified Kunitz Fold Inhibits Human Tryptase.
J.Mol.Biol., 368, 2007
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3PBF
 | | Surfactant Protein-A neck and carbohydrate recognition domain (NCRD) complexed with glycerol | | 分子名称: | CALCIUM ION, GLYCEROL, Pulmonary surfactant-associated protein A | | 著者 | Shang, F, Rynkiewicz, M.J, McCormack, F.X, Wu, H, Cafarella, T.M, Head, J, Seaton, B.A. | | 登録日 | 2010-10-20 | | 公開日 | 2010-11-03 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystallographic complexes of surfactant protein A and carbohydrates reveal ligand-induced conformational change.
J.Biol.Chem., 286, 2011
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6KE0
 | | Crystal structure of PDE10A in complex with a triazolopyrimidine inhibitor | | 分子名称: | 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[(2S)-2-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl]ethanone, MAGNESIUM ION, ZINC ION, ... | | 著者 | Amano, Y, Honbou, K. | | 登録日 | 2019-07-03 | | 公開日 | 2019-08-14 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Synthesis, SAR study, and biological evaluation of novel 2,3-dihydro-1H-imidazo[1,2-a]benzimidazole derivatives as phosphodiesterase 10A inhibitors.
Bioorg.Med.Chem., 27, 2019
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4C9C
 | | Crystal Structure of the Strawberry Pathogenesis-Related 10 (PR-10) Fra a 1E protein (Form A) | | 分子名称: | GLYCEROL, MAJOR STRAWBERRY ALLERGEN FRA A 1-E, SULFATE ION | | 著者 | Casanal, A, Zander, U, Valpuesta, V, Marquez, J.A. | | 登録日 | 2013-10-02 | | 公開日 | 2013-10-16 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The Strawberry Pathogenesis-Related 10 (Pr-10) Fra a Proteins Control Flavonoid Biosynthesis by Binding to Metabolic Intermediates.
J.Biol.Chem., 288, 2013
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4MZQ
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4MZJ
 | | Crystal Structure of MTIP from Plasmodium falciparum in complex with pGly[801,805], a stapled myoA tail peptide | | 分子名称: | Myosin A tail domain interacting protein, Myosin-A | | 著者 | Douse, C.H, Garnett, J.A, Maas, S.J, Cota, E, Tate, E.W. | | 登録日 | 2013-09-30 | | 公開日 | 2013-11-06 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.474 Å) | | 主引用文献 | Crystal Structures of Stapled and Hydrogen Bond Surrogate Peptides Targeting a Fully Buried Protein-Helix Interaction.
Acs Chem.Biol., 8, 2014
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3PGP
 | | Crystal structure of PA4794 - GNAT superfamily protein in complex with AcCoA | | 分子名称: | 1,2-ETHANEDIOL, ACETYL COENZYME *A, CHLORIDE ION, ... | | 著者 | Majorek, K.A, Chruszcz, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2010-11-02 | | 公開日 | 2010-12-01 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Structural, functional, and inhibition studies of a Gcn5-related N-acetyltransferase (GNAT) superfamily protein PA4794: a new C-terminal lysine protein acetyltransferase from pseudomonas aeruginosa.
J.Biol.Chem., 288, 2013
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3PAR
 | | Surfactant Protein-A neck and carbohydrate recognition domain (NCRD) in the absence of ligand | | 分子名称: | CALCIUM ION, Pulmonary surfactant-associated protein A, SULFATE ION | | 著者 | Shang, F, Rynkiewicz, M.J, McCormack, F.X, Wu, H, Cafarella, T.M, Head, J, Seaton, B.A. | | 登録日 | 2010-10-19 | | 公開日 | 2010-11-03 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystallographic complexes of surfactant protein A and carbohydrates reveal ligand-induced conformational change.
J.Biol.Chem., 286, 2011
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4O0A
 | | Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein Interactions | | 分子名称: | 5-{4-[({[4-(5-carboxyfuran-2-yl)-2-chlorophenyl]carbonothioyl}amino)methyl]phenyl}-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit | | 著者 | Feldkamp, M.D, Frank, A.O, Kennedy, J.P, Waterson, A.G, Olejniczak, E.T, Pelz, N.F, Patrone, J.D, Vangamudi, B, Camper, D.V, Rossanese, O.W, Fesik, S.W, Chazin, W.J. | | 登録日 | 2013-12-13 | | 公開日 | 2014-01-08 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach.
J. Med. Chem., 56, 2013
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7W3E
 | | Bovine cytochrome c oxidese in CN-bound fully reduced state at 50 K | | 分子名称: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | 著者 | Tsukihara, T, Shimada, A. | | 登録日 | 2021-11-25 | | 公開日 | 2022-12-07 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Crystallographic cyanide-probing for cytochrome c oxidase reveals structural bases suggesting that a putative proton transfer H-pathway pumps protons.
J.Biol.Chem., 299, 2023
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4BYJ
 | | Aurora A kinase bound to a highly selective imidazopyridine inhibitor | | 分子名称: | (S)-N-(1-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)acetamide, AURORA KINASE A | | 著者 | Joshi, A, Kosmopoulou, M, Bayliss, R. | | 登録日 | 2013-07-19 | | 公開日 | 2013-11-20 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Aurora Isoform Selectivity: Design and Synthesis of Imidazo[4,5-B]Pyridine Derivatives as Highly Selective Inhibitors of Aurora-A Kinase in Cells.
J.Med.Chem., 56, 2013
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4C94
 | | Crystal Structure of the Strawberry Pathogenesis-Related 10 (PR-10) Fra a 3 protein in complex with Catechin | | 分子名称: | (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol, FRA A 3 ALLERGEN | | 著者 | Casanal, A, Zander, U, Valpuesta, V, Marquez, J.A. | | 登録日 | 2013-10-02 | | 公開日 | 2013-10-16 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | The Strawberry Pathogenesis-Related 10 (Pr-10) Fra a Proteins Control Flavonoid Biosynthesis by Binding to Metabolic Intermediates.
J.Biol.Chem., 288, 2013
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4BYI
 | | Aurora A kinase bound to a highly selective imidazopyridine inhibitor | | 分子名称: | (S)-N-((1-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)methyl)acetamide, AURORA KINASE A | | 著者 | Joshi, A, Kosmopoulou, M, Bayliss, R. | | 登録日 | 2013-07-19 | | 公開日 | 2013-11-20 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Aurora Isoform Selectivity: Design and Synthesis of Imidazo[4,5-B]Pyridine Derivatives as Highly Selective Inhibitors of Aurora-A Kinase in Cells.
J.Med.Chem., 56, 2013
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3MHX
 | | Crystal Structure of Stenotrophomonas maltophilia FeoA complexed with Zinc: A Unique Procaryotic SH3 Domain Protein Possibly Acting as a Bacterial Ferrous Iron Transport Activating Factor | | 分子名称: | ACETATE ION, CHLORIDE ION, Putative ferrous iron transport protein A, ... | | 著者 | Chou, S.-H, Su, Y.-C, Chin, K.-H, Hung, H.-C, Shen, G.-H, Wang, A.H.-J. | | 登録日 | 2010-04-09 | | 公開日 | 2010-06-23 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structure of Stenotrophomonas maltophilia FeoA complexed with zinc: a unique prokaryotic SH3-domain protein that possibly acts as a bacterial ferrous iron-transport activating factor
Acta Crystallogr.,Sect.F, 66, 2010
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3N3K
 | | The catalytic domain of USP8 in complex with a USP8 specific inhibitor | | 分子名称: | Ubiquitin, Ubiquitin carboxyl-terminal hydrolase 8, ZINC ION | | 著者 | Walker, J.R, Avvakumov, G.V, Xue, S, Li, Y, Allali-Hassani, A, Lam, R, Ernst, A, Sidhu, S, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | | 登録日 | 2010-05-20 | | 公開日 | 2010-06-23 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | A strategy for modulation of enzymes in the ubiquitin system.
Science, 339, 2013
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