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7GJ3
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Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with PET-UNK-29afea89-2 (Mpro-P0157)
分子名称: (4S)-6-chloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ...
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.924 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GJZ
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Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-9739a092-6 (Mpro-P0764)
分子名称: 2-{3-chloro-5-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl}-N-(isoquinolin-4-yl)acetamide, 3C-like proteinase, CHLORIDE ION, ...
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
3KGD
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Crystal structure of E. coli RNA 3' cyclase
分子名称: ADENOSINE MONOPHOSPHATE, GLYCEROL, RNA 3'-terminal phosphate cyclase, ...
著者Shuman, S, Tanaka, N, Smith, P.
登録日2009-10-28
公開日2010-04-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structure of the RNA 3'-phosphate cyclase-adenylate intermediate illuminates nucleotide specificity and covalent nucleotidyl transfer.
Structure, 18, 2010
3KQZ
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Structure of a protease 2
分子名称: CARBONATE ION, M17 leucyl aminopeptidase, NONAETHYLENE GLYCOL, ...
著者McGowan, S, Whisstock, J.C.
登録日2009-11-17
公開日2010-02-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structure of the Plasmodium falciparum M17 aminopeptidase and significance for the design of drugs targeting the neutral exopeptidases
Proc.Natl.Acad.Sci.USA, 107, 2010
7GKV
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BU of 7gkv by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-4223bc15-23 (Mpro-P1090)
分子名称: (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ...
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.876 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
3KJI
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Zn and ADP bound state of CooC1
分子名称: ADENOSINE-5'-DIPHOSPHATE, CO dehydrogenase/acetyl-CoA synthase complex, accessory protein CooC, ...
著者Jeoung, J.-H, Dobbek, H.
登録日2009-11-03
公開日2010-01-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Crystal Structure of the ATP-Dependent Maturation Factor of Ni,Fe-Containing Carbon Monoxide Dehydrogenases
J.Mol.Biol., 396, 2010
2ZQJ
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BU of 2zqj by Molmil
Substrate-Free Form of Cytochrome P450BSbeta
分子名称: Cytochrome P450 152A1, PROTOPORPHYRIN IX CONTAINING FE
著者Shoji, O, Fujishiro, T, Nagano, S, Hirose, T, Shiro, Y, Watanabe, Y.
登録日2008-08-11
公開日2009-09-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Understanding substrate misrecognition of hydrogen peroxide dependent cytochrome P450 from Bacillus subtilis.
J.Biol.Inorg.Chem., 2010
2OZH
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BU of 2ozh by Molmil
Crystal structure of a putative acetyltransferase belonging to the gnat family (xcc2953) from xanthomonas campestris pv. campestris at 1.40 A resolution
分子名称: 1,2-ETHANEDIOL, Hypothetical protein XCC2953, SULFATE ION, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2007-02-26
公開日2007-03-20
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of hypothetical protein (NP_638301.1) from Xanthomonas campestris at 1.40 A resolution
To be published
2GPO
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BU of 2gpo by Molmil
Estrogen Related Receptor-gamma ligand binding domain complexed with a synthetic peptide from RIP140
分子名称: Estrogen-related receptor gamma, Nuclear receptor-interacting protein 1
著者Wang, L, Zuercher, W.J, Consler, T.G, Lambert, M.H, Miller, A.B, Osband-miller, L.A, McKee, D.D, Willson, T.M, Nolte, R.T.
登録日2006-04-18
公開日2006-09-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献X-ray crystal structures of the estrogen-related receptor-gamma ligand binding domain in three functional states reveal the molecular basis of small molecule regulation.
J.Biol.Chem., 281, 2006
2P0R
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BU of 2p0r by Molmil
Structure of Human Calpain 9 in complex with Leupeptin
分子名称: CALCIUM ION, Calpain-9, leupeptin
著者Davis, T.L, Paramanathan, R, Walker, J.R, Butler-Cole, C, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2007-03-01
公開日2007-03-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of Human Minicalpains bound to Inhibitors
To be Published
2GQE
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BU of 2gqe by Molmil
Molecular characterization of the Ran binding zinc finger domain
分子名称: Nuclear pore complex protein Nup153, ZINC ION
著者Higa, M.M, Alam, S.L, Sundquist, W.I, Ullman, K.S.
登録日2006-04-20
公開日2007-04-10
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Molecular Characterization of the Ran-binding Zinc Finger Domain of Nup153.
J.Biol.Chem., 282, 2007
2H5L
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BU of 2h5l by Molmil
S-Adenosylhomocysteine hydrolase containing NAD and 3-deaza-D-eritadenine
分子名称: (2R,3R)-4-(4-AMINO-1H-IMIDAZO[4,5-C]PYRIDIN-1-YL)-2,3-DIHYDROXYBUTANOIC ACID, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Yamada, T, Komoto, J, Takusagawa, F.
登録日2006-05-26
公開日2007-04-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure and function of eritadenine and its 3-deaza analogues: Potent inhibitors of S-adenosylhomocysteine hydrolase and hypocholesterolemic agents.
Biochem.Pharm., 73, 2007
7GJ7
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BU of 7gj7 by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with VLA-UCB-50c39ae8-7 (Mpro-P0179)
分子名称: (4R)-6-chloro-N-(isoquinolin-4-yl)-N-propanoyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
2OM1
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BU of 2om1 by Molmil
Structure of human insulin in presence of thiocyanate at pH 6.5
分子名称: GLYCEROL, Insulin A chain, Insulin B chain, ...
著者Norrman, M, Schluckebier, G.
登録日2007-01-20
公開日2007-12-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Crystallographic characterization of two novel crystal forms of human insulin induced by chaotropic agents and a shift in pH.
Bmc Struct.Biol., 7, 2007
3KXX
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BU of 3kxx by Molmil
Structure of the mutant Fibroblast Growth Factor receptor 1
分子名称: Basic fibroblast growth factor receptor 1
著者Bae, J.H, Boggon, T.J, Tome, F, Mandiyan, V, Lax, I, Schlessinger, J.
登録日2009-12-04
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Asymmetric receptor contact is required for tyrosine autophosphorylation of fibroblast growth factor receptor in living cells.
Proc.Natl.Acad.Sci.USA, 107, 2010
3KM9
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BU of 3km9 by Molmil
Structure of complement C5 in complex with the C-terminal beta-grasp domain of SSL7
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, CADMIUM ION, ...
著者Laursen, N.S, Gordon, N, Hermans, S, Lorenz, N, Jackson, N, Wines, B, Spillner, E, Christensen, J.B, Jensen, M, Fredslund, F, Bjerre, M, Sottrup-Jensen, L, Fraser, J.D, Andersen, G.R.
登録日2009-11-10
公開日2009-12-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献Structural basis for inhibition of complement C5 by the SSL7 protein from Staphylococcus aureus
Proc.Natl.Acad.Sci.USA, 107, 2010
2Q2A
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BU of 2q2a by Molmil
Crystal structures of the arginine-, lysine-, histidine-binding protein ArtJ from the thermophilic bacterium Geobacillus stearothermophilus
分子名称: ARGININE, ArtJ, SULFATE ION
著者Vahedi-Faridi, A, Scheffel, F, Eckey, V, Saenger, W, Schneider, E.
登録日2007-05-26
公開日2008-01-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Crystal structures and mutational analysis of the arginine-, lysine-, histidine-binding protein ArtJ from Geobacillus stearothermophilus. Implications for interactions of ArtJ with its cognate ATP-binding cassette transporter, Art(MP)2
J.Mol.Biol., 375, 2008
2Q32
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BU of 2q32 by Molmil
Crystal structure of human heme oxygenase-2 C127A (HO-2)
分子名称: Heme oxygenase 2, OXTOXYNOL-10
著者Bianchetti, C.M, Bingman, C.A, Bitto, E, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG)
登録日2007-05-29
公開日2007-06-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Comparison of Apo- and Heme-bound Crystal Structures of a Truncated Human Heme Oxygenase-2.
J.Biol.Chem., 282, 2007
2Z38
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Crystal structure of chloride bound Brassica juncea chitinase catalytic module (Bjchi3)
分子名称: CHLORIDE ION, Chitinase
著者Ubhayasekera, W, Bergfors, T, Mowbray, S.L.
登録日2007-06-02
公開日2007-06-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of a family 19 chitinase from Brassica juncea show flexibility of binding cleft loops
Febs J., 274, 2007
7MDI
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BU of 7mdi by Molmil
Structure of the Neisseria gonorrhoeae ribonucleotide reductase in the inactive state
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CYTIDINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Levitz, T.S, Drennan, C.L, Brignole, E.J.
登録日2021-04-05
公開日2022-01-05
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Effects of chameleon dispense-to-plunge speed on particle concentration, complex formation, and final resolution: A case study using the Neisseria gonorrhoeae ribonucleotide reductase inactive complex.
J.Struct.Biol., 214, 2021
3L25
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BU of 3l25 by Molmil
Crystal structure of Zaire Ebola VP35 interferon inhibitory domain bound to 8 bp dsRNA
分子名称: CHLORIDE ION, FORMIC ACID, GLYCEROL, ...
著者Leung, D.W, Prins, K.C, Borek, D.M, Farahbakhsh, M, Tufariello, J.M, Ramanan, P, Nix, J.C, Helgeson, L.A, Otwinowski, Z, Honzatko, R.B, Basler, C.F, Amarasinghe, G.K.
登録日2009-12-14
公開日2010-01-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for dsRNA recognition and interferon antagonism by Ebola VP35.
Nat.Struct.Mol.Biol., 17, 2010
2Z4H
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BU of 2z4h by Molmil
Crystal structure of the Cpx pathway activator NlpE from Escherichia coli
分子名称: Copper homeostasis protein cutF, SULFATE ION
著者Hirano, Y, Hossain, M.M, Takeda, K, Tokuda, H, Miki, K.
登録日2007-06-18
公開日2007-09-04
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Studies of the Cpx Pathway Activator NlpE on the Outer Membrane of Escherichia coli
Structure, 15, 2007
7MF3
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Structure of the autoinhibited state of smooth muscle myosin-2
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Myosin light polypeptide 6, ...
著者Heissler, S.M, Arora, A.S, Billington, N, Sellers, J.R, Chinthalapudi, K.
登録日2021-04-08
公開日2022-01-05
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Cryo-EM structure of the autoinhibited state of myosin-2.
Sci Adv, 7, 2021
3L2Y
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The structure of C-reactive protein bound to phosphoethanolamine
分子名称: C-reactive protein, CALCIUM ION, PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER
著者Mikolajek, H, Kolstoe, S.E, Wood, S.P, Pepys, M.B.
登録日2009-12-15
公開日2010-12-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis of ligand specificity in the human pentraxins, C-reactive protein and serum amyloid P component.
J.Mol.Recognit., 24, 2011
7MFZ
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The Crystal Structure of Domain-Swapped Trimer Q108K:K40D:T53A:R58L:Q38F:Q4F Mutant of HCRBPII Bound with LizFluor3 Chromophore Showing Excited State Intermolecular Proton Transfer
分子名称: 1-(4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}phenyl)azetidine, ACETATE ION, GLYCEROL, ...
著者Ghanbarpour, A, Geiger, J.
登録日2021-04-12
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Design of Large Stokes Shift Fluorescent Proteins Based on Excited State Proton Transfer of an Engineered Photobase.
J.Am.Chem.Soc., 143, 2021

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