6AW9
 
 | | 2.55A resolution structure of SAH bound catechol O-methyltransferase (COMT) L136M from Nannospalax galili | | 分子名称: | CALCIUM ION, Catechol O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | 著者 | Lovell, S, Mehzabeen, N, Battaile, K.P, Deng, Y, Hanzlik, R.P, Shams, I, Moskovitz, J. | | 登録日 | 2017-09-05 | | 公開日 | 2018-09-12 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Crystal structure of the catechol-o-methyl transferase (COMT) enzyme of the subterranean mole rat (Spalax) and the effect of L136M substitution
To be published
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4DST
 | | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity | | 分子名称: | 1,2-ETHANEDIOL, 2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine, ACETATE ION, ... | | 著者 | Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W. | | 登録日 | 2012-02-19 | | 公開日 | 2012-04-04 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
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5NHI
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5NA7
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6QUZ
 | | Structure of ATPgS-bound outward-facing TM287/288 in complex with sybody Sb_TM35 | | 分子名称: | ABC transporter, ATP-binding protein, MAGNESIUM ION, ... | | 著者 | Hutter, C.A.J, Huerlimann, L.M, Zimmermann, I, Egloff, P, Seeger, M.A. | | 登録日 | 2019-03-01 | | 公開日 | 2019-05-29 | | 最終更新日 | 2019-06-05 | | 実験手法 | X-RAY DIFFRACTION (3.21 Å) | | 主引用文献 | The extracellular gate shapes the energy profile of an ABC exporter.
Nat Commun, 10, 2019
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8ATB
 | | Discovery of IRAK4 Inhibitor 16 | | 分子名称: | GLYCEROL, Interleukin-1 receptor-associated kinase 4, ~{N}-[6-ethoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide | | 著者 | Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M. | | 登録日 | 2022-08-22 | | 公開日 | 2023-11-29 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .
J.Med.Chem., 67, 2024
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2X6C
 | | Potassium Channel from Magnetospirillum Magnetotacticum | | 分子名称: | ATP-SENSITIVE INWARD RECTIFIER POTASSIUM CHANNEL 10, CHLORIDE ION, PHOSPHOCHOLINE, ... | | 著者 | Clarke, O.B, Caputo, A.T, Hill, A.P, Vandenberg, J.I, Smith, B.J, Gulbis, J.M. | | 登録日 | 2010-02-15 | | 公開日 | 2010-06-23 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Domain Reorientation and Rotation of an Intracellular Assembly Regulate Conduction in Kir Potassium Channels.
Cell(Cambridge,Mass.), 141, 2010
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4DPB
 | | The 1.00 Angstrom crystal structure of oxidized (CuII) poplar plastocyanin A at pH 8.0 | | 分子名称: | COPPER (II) ION, Plastocyanin A, chloroplastic | | 著者 | Kachalova, G.S, Shosheva, A.H, Bourenkov, G.P, Donchev, A.A, Dimitrov, M.I, Bartunik, H.D. | | 登録日 | 2012-02-13 | | 公開日 | 2013-02-13 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Structural comparison of the poplar plastocyanin isoforms PCa and PCb sheds new light on the role of the copper site geometry in interactions with redox partners in oxygenic photosynthesis.
J.Inorg.Biochem., 115, 2012
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6QNR
 | | 70S ribosome elongation complex (EC) with experimentally assigned potassium ions | | 分子名称: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | 著者 | Rozov, A, Khusainov, I, Yusupov, M, Yusupova, G. | | 登録日 | 2019-02-11 | | 公開日 | 2019-06-19 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Importance of potassium ions for ribosome structure and function revealed by long-wavelength X-ray diffraction.
Nat Commun, 10, 2019
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1L7M
 | | HIGH RESOLUTION LIGANDED STRUCTURE OF PHOSPHOSERINE PHOSPHATASE (PI COMPLEX) | | 分子名称: | MAGNESIUM ION, PHOSPHATE ION, Phosphoserine Phosphatase | | 著者 | Wang, W, Cho, H.S, Kim, R, Jancarik, J, Yokota, H, Nguyen, H.H, Grigoriev, I.V, Wemmer, D.E, Kim, S.H, Berkeley Structural Genomics Center (BSGC) | | 登録日 | 2002-03-15 | | 公開日 | 2002-04-03 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Structural characterization of the reaction pathway in phosphoserine phosphatase: crystallographic "snapshots" of intermediate states.
J.Mol.Biol., 319, 2002
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6F5P
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6P5B
 | | Crystal Structure of MavC in Complex with Ub-UbE2N | | 分子名称: | MavC, Ubiquitin, Ubiquitin-conjugating enzyme E2 N | | 著者 | Puvar, K, Iyer, S, Negron Teron, K.I, Das, C. | | 登録日 | 2019-05-30 | | 公開日 | 2020-05-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.099 Å) | | 主引用文献 | Legionella effector MavC targets the Ube2N~Ub conjugate for noncanonical ubiquitination.
Nat Commun, 11, 2020
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5NHF
 | | Human Erk2 with an Erk1/2 inhibitor | | 分子名称: | 2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-5-(phenylmethyl)-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | | 登録日 | 2017-03-21 | | 公開日 | 2017-04-19 | | 最終更新日 | 2017-05-10 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point.
J. Med. Chem., 60, 2017
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7MWX
 | | Structure of the core ectodomain of the hepatitis C virus envelope glycoprotein 2 with tamarin CD81 | | 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, 2A12 Fab Heavy Chain, ... | | 著者 | Kumar, A, Hossain, R.A, Yost, S.A, Bu, W, Wang, Y, Dearborn, A.D, Grakoui, A, Cohen, J.I, Marcotrigiano, J. | | 登録日 | 2021-05-17 | | 公開日 | 2021-09-15 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.32 Å) | | 主引用文献 | Structural insights into hepatitis C virus receptor binding and entry.
Nature, 598, 2021
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5NHJ
 | | Human Erk2 with an Erk1/2 inhibitor | | 分子名称: | 5-(2-methoxyethyl)-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | | 登録日 | 2017-03-21 | | 公開日 | 2017-04-19 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point.
J. Med. Chem., 60, 2017
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7MWS
 | | Crystal structure of tamarin CD81 large extracellular loop | | 分子名称: | CD81 protein, GLYCEROL, TETRAETHYLENE GLYCOL | | 著者 | Kumar, A, Hossain, R.A, Yost, S.A, Bu, W, Wang, Y, Dearborn, A.D, Grakoui, A, Cohen, J.I, Marcotrigiano, J. | | 登録日 | 2021-05-17 | | 公開日 | 2021-09-15 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural insights into hepatitis C virus receptor binding and entry.
Nature, 598, 2021
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1P2O
 | | Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin | | 分子名称: | Chymotrypsinogen A, Pancreatic trypsin inhibitor, SULFATE ION | | 著者 | Helland, R, Czapinska, H, Leiros, I, Olufsen, M, Otlewski, J, Smalaas, A.O. | | 登録日 | 2003-04-15 | | 公開日 | 2004-04-20 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural consequences of accommodation of four non-cognate amino acid residues in the S1 pocket of bovine trypsin and chymotrypsin.
J.Mol.Biol., 333, 2003
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5NHP
 | | Human Erk2 with an Erk1/2 inhibitor | | 分子名称: | 5-(2-methoxyethyl)-1-methyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydropyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | | 登録日 | 2017-03-22 | | 公開日 | 2017-04-19 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point.
J. Med. Chem., 60, 2017
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1P8J
 | | CRYSTAL STRUCTURE OF THE PROPROTEIN CONVERTASE FURIN | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DECANOYL-ARG-VAL-LYS-ARG-CHLOROMETHYLKETONE INHIBITOR, ... | | 著者 | Henrich, S, Cameron, A, Bourenkov, G.P, Kiefersauer, R, Huber, R, Lindberg, I, Bode, W, Than, M.E. | | 登録日 | 2003-05-07 | | 公開日 | 2003-07-08 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | The Crystal Structure of the Proprotein Processing Proteinase Furin Explains its Stringent Specificity
Nat.Struct.Biol., 10, 2003
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3CF1
 | | Structure of P97/vcp in complex with ADP/ADP.alfx | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Transitional endoplasmic reticulum ATPase | | 著者 | Davies, J.M, Delabarre, B, Brunger, A.T, Weis, W.I. | | 登録日 | 2008-03-01 | | 公開日 | 2008-04-22 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (4.4 Å) | | 主引用文献 | Improved structures of full-length p97, an AAA ATPase: implications for mechanisms of nucleotide-dependent conformational change.
Structure, 16, 2008
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6BCZ
 | | Crystal structure of human CYP3A4 bound to an inhibitor | | 分子名称: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl (2-{[(2R)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl)carbamate | | 著者 | Sevrioukova, I. | | 登録日 | 2017-10-20 | | 公開日 | 2017-12-13 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Inhibition of Human CYP3A4 by Rationally Designed Ritonavir-Like Compounds: Impact and Interplay of the Side Group Functionalities.
Mol Pharm., 15, 2018
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6PBW
 | | Crystal structure of Fab667 complex | | 分子名称: | Fab667 heavy chain, Fab667 light chain, GLYCEROL, ... | | 著者 | Oyen, D, Wilson, I.A. | | 登録日 | 2019-06-14 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.058 Å) | | 主引用文献 | Structure and mechanism of monoclonal antibody binding to the junctional epitope of Plasmodium falciparum circumsporozoite protein.
Plos Pathog., 16, 2020
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6BD6
 | | Crystal structure of human CYP3A4 bound to an inhibitor | | 分子名称: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl (2-{[(2S)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl)carbamate | | 著者 | Sevrioukova, I. | | 登録日 | 2017-10-21 | | 公開日 | 2017-12-13 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Inhibition of Human CYP3A4 by Rationally Designed Ritonavir-Like Compounds: Impact and Interplay of the Side Group Functionalities.
Mol Pharm., 15, 2018
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6B9P
 | | Structure of GH 38 Jack Bean alpha-mannosidase in complex with a 36-valent iminosugar cluster inhibitor | | 分子名称: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{9-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]nonyl}piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-mannosidase from Canavalia ensiformis (jack bean), ... | | 著者 | Howard, E, Cousido-Siah, A, Lepage, M, Bodlenner, A, Mitschler, A, Meli, A, De Riccardis, F, Izzo, I, Podjarny, A, Compain, P. | | 登録日 | 2017-10-11 | | 公開日 | 2018-09-26 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.996 Å) | | 主引用文献 | Structural Basis of Outstanding Multivalent Effects in Jack Bean alpha-Mannosidase Inhibition.
Angew. Chem. Int. Ed. Engl., 57, 2018
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6BDI
 | | Crystal structure of human CYP3A4 bound to an inhibitor | | 分子名称: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2R)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate | | 著者 | Sevrioukova, I. | | 登録日 | 2017-10-23 | | 公開日 | 2017-12-13 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | Interaction of the rationally designed ritonavir-like inhibitors with human cytochrome P450 3A4: Impact of the side group interplay
Mol. Pharm., 2017
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