4U8Z
 
 | | Crystal structure of MST3 with a pyrrolopyrimidine inhibitor (PF-06447475) | | 分子名称: | 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, MANGANESE (II) ION, Serine/threonine-protein kinase 24 | | 著者 | Jasti, J, Song, X, Griffor, M, Kurumbail, R.G. | | 登録日 | 2014-08-05 | | 公開日 | 2015-03-18 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Discovery and preclinical profiling of 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 kinase inhibitor.
J.Med.Chem., 58, 2015
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2A4Q
 | | HCV NS3 protease with NS4a peptide and a covalently bound macrocyclic ketoamide compound. | | 分子名称: | (2R)-({N-[(3S)-3-({[(3S,6S)-6-CYCLOHEXYL-5,8-DIOXO-4,7-DIAZABICYCLO[14.3.1]ICOSA-1(20),16,18-TRIEN-3-YL]CARBONYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID, BETA-MERCAPTOETHANOL, NS3 protease/helicase', ... | | 著者 | Chen, K.X, Njoroge, F.G, Prongay, A, Pichardo, J, Madison, V, Girijavallabhan, V. | | 登録日 | 2005-06-29 | | 公開日 | 2006-07-04 | | 最終更新日 | 2021-10-20 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Synthesis and Biological Activity of Macrocyclic Inhibitors of Hepatitis C Virus (HCV) NS3 Protease
Bioorg.Med.Chem.Lett., 15, 2005
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236L
 | | THE RESPONSE OF T4 LYSOZYME TO LARGE-TO-SMALL SUBSTITUTIONS WITHIN THE CORE AND ITS RELATION TO THE HYDROPHOBIC EFFECT | | 分子名称: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, T4 LYSOZYME | | 著者 | Xu, J, Baase, W.A, Baldwin, E, Matthews, B.W. | | 登録日 | 1997-10-17 | | 公開日 | 1998-03-18 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The response of T4 lysozyme to large-to-small substitutions within the core and its relation to the hydrophobic effect.
Protein Sci., 7, 1998
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244L
 | | THE RESPONSE OF T4 LYSOZYME TO LARGE-TO-SMALL SUBSTITUTIONS WITHIN THE CORE AND ITS RELATION TO THE HYDROPHOBIC EFFECT | | 分子名称: | 2-HYDROXYETHYL DISULFIDE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | 著者 | Xu, J, Baase, W.A, Baldwin, E, Matthews, B.W. | | 登録日 | 1997-10-23 | | 公開日 | 1998-03-18 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | The response of T4 lysozyme to large-to-small substitutions within the core and its relation to the hydrophobic effect.
Protein Sci., 7, 1998
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4U38
 | | RNA duplex containing UU mispair | | 分子名称: | RNA (5'-R(*GP*GP*UP*GP*CP*UP*A)-3'), RNA (5'-R(*UP*AP*GP*CP*UP*CP*C)-3') | | 著者 | Sheng, J, Larsen, A, Heuberger, B, Blain, J.C, Szostak, J.W. | | 登録日 | 2014-07-18 | | 公開日 | 2014-08-13 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal Structure Studies of RNA Duplexes Containing s(2)U:A and s(2)U:U Base Pairs.
J.Am.Chem.Soc., 136, 2014
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5DUQ
 | | Active human c1-inhibitor in complex with dextran sulfate | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Plasma protease C1 inhibitor, SULFITE ION, ... | | 著者 | Dijk, M, Holkers, J, Voskamp, P, Giannetti, B.M, Waterreus, W.J, van Veen, H.A, Pannu, N.S. | | 登録日 | 2015-09-20 | | 公開日 | 2016-08-31 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | How Dextran Sulfate Affects C1-inhibitor Activity: A Model for Polysaccharide Potentiation.
Structure, 24, 2016
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3ZJK
 | | crystal structure of Ttb-gly F401S mutant | | 分子名称: | BETA GLYCOSIDASE, CHLORIDE ION, GLYCEROL | | 著者 | Teze, D, Tran, V, Tellier, C, Dion, M, Leroux, C, Roncza, J, Czjzek, M. | | 登録日 | 2013-01-18 | | 公開日 | 2013-02-13 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Semi-Rational Approach for Converting a Gh1 Beta-Glycosidase Into a Beta-Transglycosidase.
Protein Eng.Des.Sel., 27, 2014
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3RKJ
 | | Crystal Structure of New Delhi Metallo-Beta-Lactamase-1 from Klebsiella pnueumoniae | | 分子名称: | Beta-lactamase NDM-1, GLYCEROL, SULFATE ION | | 著者 | Kim, Y, Tesar, C, Jedrzejczak, R, Binkowski, T.A, Babnigg, G, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | | 登録日 | 2011-04-18 | | 公開日 | 2011-05-18 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure of Apo- and Monometalated Forms of NDM-1 A Highly Potent Carbapenem-Hydrolyzing Metallo-beta-Lactamase
Plos One, 6, 2011
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4U9K
 | | Crystal structure of an H-NOX protein from S. oneidensis in the Mn(II)NO ligation state, Q154A/Q155A/K156A mutant | | 分子名称: | MANGANESE PROTOPORPHYRIN IX, NITRIC OXIDE, NO-binding heme-dependent sensor protein, ... | | 著者 | Herzik Jr, M.A, Jonnalagadda, R, Kuriyan, J, Marletta, M.A. | | 登録日 | 2014-08-06 | | 公開日 | 2014-10-01 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Structural insights into the role of iron-histidine bond cleavage in nitric oxide-induced activation of H-NOX gas sensor proteins.
Proc.Natl.Acad.Sci.USA, 111, 2014
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5DWV
 | | Crystal structure of the Luciferase complexed with substrate analogue | | 分子名称: | 2-[6-(cyclobuta-1,3-dien-1-ylamino)-1,3-benzothiazol-2-yl]-1,3-thiazol-4-ol, Luciferin 4-monooxygenase | | 著者 | Su, J, Li, Z, Yuan, Z, Gu, L. | | 登録日 | 2015-09-23 | | 公開日 | 2016-09-28 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of the Luciferase complexed with substrate analogue
To Be Published
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3ZSV
 | | Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design | | 分子名称: | (R)-[(2S)-5-carboxy-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl-[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl]-prop-2-enyl-azanium, 1,2-ETHANEDIOL, ACETIC ACID, ... | | 著者 | Peat, T.S, Newman, J, Rhodes, D.I, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C.L, Deadman, J.J. | | 登録日 | 2011-07-01 | | 公開日 | 2012-07-11 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design.
Plos One, 7, 2012
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2AE2
 | | TROPINONE REDUCTASE-II COMPLEXED WITH NADP+ AND PSEUDOTROPINE | | 分子名称: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTEIN (TROPINONE REDUCTASE-II), PSEUDOTROPINE | | 著者 | Yamashita, A, Kato, H, Wakatsuki, S, Tomizaki, T, Nakatsu, T, Nakajima, K, Hashimoto, T, Yamada, Y, Oda, J. | | 登録日 | 1999-01-26 | | 公開日 | 1999-02-02 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure of tropinone reductase-II complexed with NADP+ and pseudotropine at 1.9 A resolution: implication for stereospecific substrate binding and catalysis.
Biochemistry, 38, 1999
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5E65
 | | The complex structure of Hemagglutinin-esterase-fusion mutant protein from the influenza D virus with receptor analog 9-O-Ac-3'SLN (Tr322) | | 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, 9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid-(2-3)-beta-D-galactopyranose, ... | | 著者 | Song, H, Qi, J, Shi, Y, Gao, G.F. | | 登録日 | 2015-10-09 | | 公開日 | 2016-03-23 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | An Open Receptor-Binding Cavity of Hemagglutinin-Esterase-Fusion Glycoprotein from Newly-Identified Influenza D Virus: Basis for Its Broad Cell Tropism
PLoS Pathog., 12, 2016
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5E79
 | | Macromolecular diffractive imaging using imperfect crystals | | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | 著者 | Ayyer, K, Yefanov, O, Oberthur, D, Roy-Chowdhury, S, Galli, L, Mariani, V, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Schaffer, A, Dorner, K, James, D, Kupitz, C, Metz, M, Nelson, G, Xavier, P.L, Beyerlein, K.R, Schmidt, M, Sarrou, I, Spence, J.C.H, Weierstall, U, White, T.A, Yang, J.-H, Zhao, Y, Liang, M, Aquila, A, Hunter, M.S, Koglin, J.E, Boutet, S, Fromme, P, Barty, A, Chapman, H.N. | | 登録日 | 2015-10-12 | | 公開日 | 2017-02-08 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Macromolecular diffractive imaging using imperfect crystals.
Nature, 530, 2016
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2JOM
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7NRS
 | | Conformation 1 of straight filament from primary age-related tauopathy brain | | 分子名称: | Microtubule-associated protein tau | | 著者 | Shi, Y, Murzin, A.G, Falcon, B, Epstein, A, Machin, J, Tempest, P, Newell, K.L, Vidal, R, Garringer, H.J, Sahara, N, Higuchi, M, Ghetti, B, Jang, M, Scheres, S.H.W, Goedert, M. | | 登録日 | 2021-03-04 | | 公開日 | 2021-03-24 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (2.68 Å) | | 主引用文献 | Cryo-EM structures of tau filaments from Alzheimer's disease with PET ligand APN-1607.
Acta Neuropathol, 141, 2021
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7NRV
 | | Paired helical filament from Alzheimer's disease with PET ligand APN-1607 | | 分子名称: | Microtubule-associated protein tau | | 著者 | Shi, Y, Murzin, A.G, Falcon, B, Epstein, A, Machin, J, Tempest, P, Newell, K.L, Vidal, R, Garringer, H.J, Sahara, N, Higuchi, M, Ghetti, B, Jang, M, Scheres, S.H.W, Goedert, M. | | 登録日 | 2021-03-04 | | 公開日 | 2021-03-24 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Cryo-EM structures of tau filaments from Alzheimer's disease with PET ligand APN-1607.
Acta Neuropathol, 141, 2021
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7NRQ
 | | Paired helical filament from primary age-related tauopathy brain | | 分子名称: | Microtubule-associated protein tau | | 著者 | Shi, Y, Murzin, A.G, Falcon, B, Epstein, A, Machin, J, Tempest, P, Newell, K.L, Vidal, R, Garringer, H.J, Sahara, N, Higuchi, M, Ghetti, B, Jang, M, Scheres, S.H.W, Goedert, M. | | 登録日 | 2021-03-04 | | 公開日 | 2021-03-24 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (2.76 Å) | | 主引用文献 | Cryo-EM structures of tau filaments from Alzheimer's disease with PET ligand APN-1607.
Acta Neuropathol, 141, 2021
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7NRT
 | | Conformation 2 of straight filament from primary age-related tauopathy brain | | 分子名称: | Microtubule-associated protein tau | | 著者 | Shi, Y, Murzin, A.G, Falcon, B, Epstein, A, Machin, J, Tempest, P, Newell, K.L, Vidal, R, Garringer, H.J, Sahara, N, Higuchi, M, Ghetti, B, Jang, M, Scheres, S.H.W, Goedert, M. | | 登録日 | 2021-03-04 | | 公開日 | 2021-03-24 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (2.68 Å) | | 主引用文献 | Cryo-EM structures of tau filaments from Alzheimer's disease with PET ligand APN-1607.
Acta Neuropathol, 141, 2021
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250L
 | | THE RESPONSE OF T4 LYSOZYME TO LARGE-TO-SMALL SUBSTITUTIONS WITHIN THE CORE AND ITS RELATION TO THE HYDROPHOBIC EFFECT | | 分子名称: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, T4 LYSOZYME | | 著者 | Xu, J, Baase, W.A, Baldwin, E, Matthews, B.W. | | 登録日 | 1997-10-22 | | 公開日 | 1998-03-18 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The response of T4 lysozyme to large-to-small substitutions within the core and its relation to the hydrophobic effect.
Protein Sci., 7, 1998
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5DQY
 | | A fully oxidized human thioredoxin | | 分子名称: | BENZOIC ACID, CHLORIDE ION, GLYCEROL, ... | | 著者 | Hwang, J. | | 登録日 | 2015-09-15 | | 公開日 | 2015-12-23 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Crystal structure of fully oxidized human thioredoxin.
Biochem.Biophys.Res.Commun., 467, 2015
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2J9V
 | | 2 Angstrom X-ray structure of the yeast ESCRT-I Vps28 C-terminus | | 分子名称: | VACUOLAR PROTEIN SORTING-ASSOCIATED PROTEIN 28 | | 著者 | Gill, D.J, Teo, H.L, Sun, J, Perisic, O, Veprintsev, D.B, Emr, S.D, Williams, R.L. | | 登録日 | 2006-11-16 | | 公開日 | 2007-01-23 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Insight Into the Escrt-I/-II Link and its Role in Mvb Trafficking.
Embo J., 26, 2007
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2JAJ
 | | DDAH1 complexed with L-257 | | 分子名称: | NG, NG-DIMETHYLARGININE DIMETHYLAMINOHYDROLASE 1, N~5~-{IMINO[(2-METHOXYETHYL)AMINO]METHYL}-L-ORNITHINE | | 著者 | Murray-Rust, J, O'Hara, B.P, Rossiter, S, Leiper, J.M, Vallance, P, McDonald, N.Q. | | 登録日 | 2006-11-29 | | 公開日 | 2007-02-13 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Disruption of methylarginine metabolism impairs vascular homeostasis.
Nat. Med., 13, 2007
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2J9U
 | | 2 Angstrom X-ray structure of the yeast ESCRT-I Vps28 C-terminus in complex with the NZF-N domain from ESCRT-II | | 分子名称: | VACUOLAR PROTEIN SORTING-ASSOCIATED PROTEIN 28, VACUOLAR PROTEIN SORTING-ASSOCIATED PROTEIN 36, ZINC ION | | 著者 | Gill, D.J, Teo, H.L, Sun, J, Perisic, O, Veprintsev, D.B, Emr, S.D, Williams, R.L. | | 登録日 | 2006-11-16 | | 公開日 | 2007-01-23 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Insight Into the Escrt-I/-II Link and its Role in Mvb Trafficking.
Embo J., 26, 2007
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5DT1
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