1OP0
 
 | | Crystal Structure of AaV-SP-I, a Glycosylated Snake Venom Serine Proteinase from Agkistrodon acutus | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Venom serine proteinase | | 著者 | Zhu, Z, Teng, M, Niu, L. | | 登録日 | 2003-03-04 | | 公開日 | 2004-05-25 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal Structures and Amidolytic Activities of Two Glycosylated Snake Venom Serine Proteinases
J.BIOL.CHEM., 280, 2005
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6IMM
 | | Cryo-EM structure of an alphavirus, Sindbis virus | | 分子名称: | Assembly protein E3, Octadecane, Spike glycoprotein E1, ... | | 著者 | Zhang, X, Ma, J, Chen, L. | | 登録日 | 2018-10-23 | | 公開日 | 2019-03-13 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Implication for alphavirus host-cell entry and assembly indicated by a 3.5 angstrom resolution cryo-EM structure.
Nat Commun, 9, 2018
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4EFS
 | | Human MMP12 in complex with L-glutamate motif inhibitor | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | | 著者 | Stura, E.A, Dive, V, Devel, L, Czarny, B, Beau, F, Vera, L. | | 登録日 | 2012-03-30 | | 公開日 | 2012-06-20 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Simple pseudo-dipeptides with a P2' glutamate: a novel inhibitor family of matrix metalloproteases and other metzincins.
J.Biol.Chem., 287, 2012
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7AWS
 | | Structure of SARS-CoV-2 Main Protease bound to TH-302. | | 分子名称: | 3C-like proteinase, 5-[[(2-bromoethylamino)-(ethylamino)phosphoryl]oxymethyl]-1-methyl-~{N},~{N}-bis(oxidanyl)imidazol-2-amine, CHLORIDE ION, ... | | 著者 | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | 登録日 | 2020-11-09 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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7AXM
 | | Structure of SARS-CoV-2 Main Protease bound to Pelitinib | | 分子名称: | (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide, 3C-like proteinase, DIMETHYL SULFOXIDE, ... | | 著者 | Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Lane, T.J, Dunkel, I, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | 登録日 | 2020-11-09 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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1P3T
 | | Crystal Structures of the NO-and CO-Bound Heme Oxygenase From Neisseria Meningitidis: Implications for Oxygen Activation | | 分子名称: | Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Friedman, J, Lad, L, Deshmukh, R, Li, H, Wilks, A, Poulos, T.L. | | 登録日 | 2003-04-18 | | 公開日 | 2003-12-09 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal structures of the NO- and CO-bound heme oxygenase from Neisseriae meningitidis. Implications for O2 activation
J.Biol.Chem., 278, 2003
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1P3V
 | | Crystal Structures of the NO-and CO-Bound Heme Oxygenase From Neisseria Meningitidis: Implications for Oxygen Activation | | 分子名称: | CARBON MONOXIDE, Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Friedman, J, Lad, L, Deshmukh, R, Li, H, Wilks, A, Poulos, T.L. | | 登録日 | 2003-04-18 | | 公開日 | 2003-12-09 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Crystal structures of the NO- and CO-bound heme oxygenase from Neisseriae meningitidis. Implications for O2 activation
J.Biol.Chem., 278, 2003
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6APJ
 | | Crystal Structure of human ST6GALNAC2 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-N-acetylgalactosaminide alpha-2,6-sialyltransferase 2 | | 著者 | Forouhar, F, Moremen, K.W, Northeast Structural Genomics Consortium (NESG), Tong, L. | | 登録日 | 2017-08-17 | | 公開日 | 2017-12-20 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Expression system for structural and functional studies of human glycosylation enzymes.
Nat. Chem. Biol., 14, 2018
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5SBI
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4CTH
 | | Neprilysin variant G399V,G714K in complex with phosphoramidon | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, N-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)-L-LEUCYL-L-TRYPTOPHAN, ... | | 著者 | Webster, C.I, Burrell, M, Olsson, L, Fowler, S.B, Digby, S, Sandercock, A, Snijder, A, Tebbe, J, Haupts, U, Grudzinska, J, Jermutus, L, Andersson, C. | | 登録日 | 2014-03-13 | | 公開日 | 2014-08-13 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Engineering Neprilysin Activity and Specificity to Create a Novel Therapeutic for Alzheimer'S Disease.
Plos One, 9, 2014
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7ZHS
 | | 3D reconstruction of the cylindrical assembly of DnaJA2 delta G/F by imposing D5 symmetry | | 分子名称: | Ubiquitin-like protein SMT3,DnaJ homolog subfamily A member 2, ZINC ION | | 著者 | Cuellar, J, Velasco-Carneros, L, Santiago, C, Martin-Benito, J, Valpuesta, J, Muga, A. | | 登録日 | 2022-04-07 | | 公開日 | 2023-07-26 | | 最終更新日 | 2024-01-24 | | 実験手法 | ELECTRON MICROSCOPY (6.9 Å) | | 主引用文献 | The self-association equilibrium of DNAJA2 regulates its interaction with unfolded substrate proteins and with Hsc70.
Nat Commun, 14, 2023
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4D4L
 | | human PFKFB3 in complex with a pyrrolopyrimidone compound | | 分子名称: | 5-(4-chlorophenyl)-7-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ... | | 著者 | Stgallay, S.A, Bennett, N, Critchlow, S, Davies, G, Debreczeni, J.E, Evans, N, Holdgate, G, Jones, N.P, Leach, L, Maman, S, McLoughlin, S, Preston, M, Rigoreau, L, Thomas, A, Walker, G, Walsch, J, Ward, R.A, Wheatley, E, Winter, J. | | 登録日 | 2014-10-29 | | 公開日 | 2016-01-20 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (3.16 Å) | | 主引用文献 | Identifying a Novel Series of Pfkfb3 Inhibitors as a Metabolic Approach to Treating Cancer from Hts, Biophysical and Biochemical Methods
To be Published
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8A5T
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1OP2
 | | Crystal Structure of AaV-SP-II, a Glycosylated Snake Venom Serine Proteinase from Agkistrodon acutus | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Venom serine proteinase | | 著者 | Zhu, Z, Teng, M, Niu, L. | | 登録日 | 2003-03-04 | | 公開日 | 2004-05-25 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal Structures and Amidolytic Activities of Two Glycosylated Snake Venom Serine Proteinases
J.BIOL.CHEM., 280, 2005
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3R21
 | | Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I) | | 分子名称: | MAGNESIUM ION, N-(2-aminoethyl)-N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide, Serine/threonine-protein kinase 6 | | 著者 | Zhang, L, Fan, J, Chong, J.-H, Cesena, A, Tam, B, Gilson, C, Boykin, C, Wang, D, Marcotte, D, Le Brazidec, J.-Y, Aivazian, D, Piao, J, Lundgren, K, Hong, K, Vu, K, Nguyen, K. | | 登録日 | 2011-03-11 | | 公開日 | 2011-08-10 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I).
Bioorg.Med.Chem.Lett., 21, 2011
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8AAA
 | | Crystal structure of SARS-CoV-2 S RBD in complex with a stapled peptide | | 分子名称: | 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one, Spike protein S1, Stapled peptide | | 著者 | Brear, P, Chen, L, Gaynor, K, Harman, M, Dods, R, Hyvonen, M. | | 登録日 | 2022-06-30 | | 公開日 | 2023-06-28 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Multivalent bicyclic peptides are an effective antiviral modality that can potently inhibit SARS-CoV-2.
Nat Commun, 14, 2023
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4D2W
 | | Structure of MELK in complex with inhibitors | | 分子名称: | 4-bromo-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | | 著者 | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | | 登録日 | 2014-05-13 | | 公開日 | 2014-10-08 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
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1JBU
 | | Coagulation Factor VII Zymogen (EGF2/Protease) in Complex with Inhibitory Exosite Peptide A-183 | | 分子名称: | BENZAMIDINE, COAGULATION FACTOR VII, Peptide exosite inhibitor A-183, ... | | 著者 | Eigenbrot, C, Kirchhofer, D, Dennis, M.S, Santell, L, Lazarus, R.A, Stamos, J, Ultsch, M.H. | | 登録日 | 2001-06-06 | | 公開日 | 2001-07-11 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The factor VII zymogen structure reveals reregistration of beta strands during activation.
Structure, 9, 2001
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1K0A
 | | Ure2p in Complex with S-hexylglutathione | | 分子名称: | GLUTATHIONE, S-HEXYLGLUTATHIONE, URE2 PROTEIN | | 著者 | Bousset, L, Belrhali, H, Melki, R, Morera, S. | | 登録日 | 2001-09-19 | | 公開日 | 2001-12-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structures of the yeast prion Ure2p functional region in complex with glutathione and related compounds.
Biochemistry, 40, 2001
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1K55
 | | OXA 10 class D beta-lactamase at pH 7.5 | | 分子名称: | 1,2-ETHANEDIOL, Beta lactamase OXA-10, SULFATE ION | | 著者 | Golemi, D, Maveyraud, L, Vakulenko, S, Samama, J.P, Mobashery, S. | | 登録日 | 2001-10-10 | | 公開日 | 2001-11-07 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | Critical involvement of a carbamylated lysine in catalytic function of class D beta-lactamases.
Proc.Natl.Acad.Sci.USA, 98, 2001
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6BGJ
 | | Cryo-EM structure of the TMEM16A calcium-activated chloride channel in LMNG | | 分子名称: | Anoctamin-1, CALCIUM ION | | 著者 | Dang, S, Feng, S, Tien, J, Peters, C.J, Bulkley, D, Lolicato, M, Zhao, J, Zuberbuhler, K, Ye, W, Qi, L, Chen, T, Craik, C.S, Jan, Y.N, Minor Jr, D.L, Cheng, Y, Jan, L.Y. | | 登録日 | 2017-10-28 | | 公開日 | 2017-12-27 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Cryo-EM structures of the TMEM16A calcium-activated chloride channel.
Nature, 552, 2017
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1K57
 | | OXA 10 class D beta-lactamase at pH 6.0 | | 分子名称: | BETA LACTAMASE OXA-10, SULFATE ION | | 著者 | Golemi, D, Maveyraud, L, Vakulenko, S, Samama, J.P, Mobashery, S. | | 登録日 | 2001-10-10 | | 公開日 | 2001-11-07 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Critical involvement of a carbamylated lysine in catalytic function of class D beta-lactamases.
Proc.Natl.Acad.Sci.USA, 98, 2001
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1K6A
 | | Structural studies on the mobility in the active site of the Thermoascus aurantiacus xylanase I | | 分子名称: | xylanase I | | 著者 | Lo Leggio, L, Kalogiannis, S, Eckert, K, Teixeira, S.C.M, Bhat, M.K, Andrei, C, Pickersgill, R.W, Larsen, S. | | 登録日 | 2001-10-15 | | 公開日 | 2002-07-03 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | | 主引用文献 | Substrate specificity and subsite mobility in T. aurantiacus xylanase 10A.
FEBS LETT., 509, 2001
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1K56
 | | OXA 10 class D beta-lactamase at pH 6.5 | | 分子名称: | OXA10 beta-lactamase, SULFATE ION | | 著者 | Golemi, D, Maveyraud, L, Vakulenko, S, Samama, J.P, Mobashery, S. | | 登録日 | 2001-10-10 | | 公開日 | 2001-11-07 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Critical involvement of a carbamylated lysine in catalytic function of class D beta-lactamases.
Proc.Natl.Acad.Sci.USA, 98, 2001
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8AF9
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