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7D64
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The crystal structure of SARS-CoV-2 3CLpro with Zinc
分子名称: 3C-like proteinase, ZINC ION
著者Mao, Z.W, Xia, W, Tao, X.
登録日2020-09-29
公開日2021-09-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.450116 Å)
主引用文献Inhibition of SARS-CoV-2 replication by zinc gluconate in combination with hinokitiol.
J.Inorg.Biochem., 231, 2022
4WJI
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BU of 4wji by Molmil
Crystal structure of cyclohexadienyl dehydrogenase from Sinorhizobium meliloti in complex with NADP and tyrosine
分子名称: CHLORIDE ION, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Shabalin, I.G, Cooper, D.R, Hou, J, Zimmerman, M.D, Stead, M, Hillerich, B.S, Ahmed, M, Hammonds, J, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
登録日2014-09-30
公開日2014-10-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of cyclohexadienyl dehydrogenase from Sinorhizobium meliloti in complex with NADP
to be published
5C5I
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Crystal structure of NADP-dependent dehydrogenase from Rhodobacter sphaeroides
分子名称: NADP-dependent dehydrogenase
著者Kowiel, M, Gasiorowska, O.A, Shabalin, I.G, Handing, K.B, Porebski, P.J, Cymborowski, M, Al Obaidi, N.F, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
登録日2015-06-19
公開日2015-07-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of NADP-dependent dehydrogenase from Rhodobacter sphaeroides
to be published
5BON
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BU of 5bon by Molmil
Crystal structure of human Nudt15 (MTH2)
分子名称: MAGNESIUM ION, Probable 8-oxo-dGTP diphosphatase NUDT15
著者Carter, M, Jemth, A.-S, Helleday, T, Stenmark, P.
登録日2015-05-27
公開日2015-08-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Crystal structure, biochemical and cellular activities demonstrate separate functions of MTH1 and MTH2.
Nat Commun, 6, 2015
5BPX
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Structure of the 2,4'-dihydroxyacetophenone dioxygenase from Alcaligenes sp. 4HAP.
分子名称: 2,4'-dihydroxyacetophenone dioxygenase, ACETATE ION, FE (III) ION, ...
著者Guo, J, Erskine, P, Wood, S.P, Cooper, J.B.
登録日2015-05-28
公開日2015-06-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Extension of resolution and oligomerization-state studies of 2,4'-dihydroxyacetophenone dioxygenase from Alcaligenes sp. 4HAP.
Acta Crystallogr.,Sect.F, 71, 2015
6UTU
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Crystal structure of minor pseudopilin ternary complex of XcpVWX from the Type 2 secretion system of Pseudomonas aeruginosa in the P3 space group
分子名称: CALCIUM ION, Type II secretion system protein I, Type II secretion system protein J, ...
著者Zhang, Y, Wang, S, Jia, Z.
登録日2019-10-30
公開日2020-09-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献In Situ Proteolysis Condition-Induced Crystallization of the XcpVWX Complex in Different Lattices.
Int J Mol Sci, 21, 2020
5DHM
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BU of 5dhm by Molmil
Crystal structure of the fimbrial protein Mfa4 from Porphyromonas gingivalis
分子名称: Immunoreactive 32 kDa antigen
著者Kloppsteck, P, Hall, M, Persson, K.
登録日2015-08-31
公開日2016-04-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of the fimbrial protein Mfa4 from Porphyromonas gingivalis in its precursor form: implications for a donor-strand complementation mechanism.
Sci Rep, 6, 2016
2HGO
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NMR structure of Cassiicolin
分子名称: 1,5-anhydro-3-O-methyl-D-mannitol, CASSIICOLIN
著者Barthe, P, Pujade-Renault, V, Roumestand, C, de Lamotte, F.
登録日2006-06-27
公開日2007-02-27
最終更新日2020-07-29
実験手法SOLUTION NMR
主引用文献Structural Analysis of Cassiicolin, a Host-selective Protein Toxin from Corynespora cassiicola
J.Mol.Biol., 367, 2007
4U13
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Crystal structure of putative polyketide cyclase (protein SMa1630) from Sinorhizobium meliloti at 2.3 A resolution
分子名称: putative polyketide cyclase SMa1630
著者Shabalin, I.G, Bacal, P, Osinski, T, Cooper, D.R, Szlachta, K, Stead, M, Grabowski, M, Hammonds, J, Ahmed, M, Hillerich, B.S, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
登録日2014-07-14
公開日2014-09-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of a putative polyketide cyclase (protein SMa1630) from Sinorhizobium meliloti at 2.3 A resolution
to be published
5EMN
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BU of 5emn by Molmil
Crystal Structure of Human NADPH-Cytochrome P450 Reductase(A287P mutant)
分子名称: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Xia, C, Marohnic, C, Panda, S, Masters, B.S, Kim, J.J.K.
登録日2015-11-06
公開日2016-08-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Instability of the Human Cytochrome P450 Reductase A287P Variant Is the Major Contributor to Its Antley-Bixler Syndrome-like Phenotype.
J.Biol.Chem., 291, 2016
4MVN
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Crystal structure of the staphylococcal serine protease SplA in complex with a specific phosphonate inhibitor
分子名称: Serine protease splA, [(1S)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl]phosphonic acid
著者Zdzalik, M, Burchacka, E, Niemczyk, J.S, Pustelny, K, Popowicz, G.M, Wladyka, B, Dubin, A, Potempa, J, Sienczyk, M, Dubin, G, Oleksyszyn, J.
登録日2013-09-24
公開日2014-01-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Development and binding characteristics of phosphonate inhibitors of SplA protease from Staphylococcus aureus.
Protein Sci., 23, 2014
8S9L
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Structure of monomeric FAM111A SPD V347D Mutant
分子名称: SULFATE ION, Serine protease FAM111A
著者Palani, S, Alvey, J.A, Cong, A.T.Q, Schellenberg, M.J, Machida, Y.
登録日2023-03-29
公開日2024-03-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Dimerization-dependent serine protease activity of FAM111A prevents replication fork stalling at topoisomerase 1 cleavage complexes.
Nat Commun, 15, 2024
8S9K
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Structure of dimeric FAM111A SPD S541A Mutant
分子名称: GLYCEROL, Serine protease FAM111A
著者Palani, S, Alvey, J.A, Cong, A.T.Q, Schellenberg, M.J, Machida, Y.
登録日2023-03-29
公開日2024-03-20
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Dimerization-dependent serine protease activity of FAM111A prevents replication fork stalling at topoisomerase 1 cleavage complexes.
Nat Commun, 15, 2024
8SXR
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Crystal structure of SARS-CoV-2 Mpro with C5a
分子名称: 3C-like proteinase nsp5, N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(5-hydroxyisoquinolin-4-yl)acetamide
著者Worrall, L.J, Kenward, C, Lee, J, Strynadka, N.C.J.
登録日2023-05-23
公開日2023-08-30
実験手法X-RAY DIFFRACTION (2.114 Å)
主引用文献A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
5FA6
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wild type human CYPOR
分子名称: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Xia, C, Marohnic, C, Panda, S, Masters, B.S, Kim, J.J.K.
登録日2015-12-11
公開日2016-08-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Instability of the Human Cytochrome P450 Reductase A287P Variant Is the Major Contributor to Its Antley-Bixler Syndrome-like Phenotype.
J.Biol.Chem., 291, 2016
2D98
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BU of 2d98 by Molmil
Structure of VIL (extra KI/I2 added)-xylanase
分子名称: Endo-1,4-beta-xylanase 2, IODIDE ION
著者Miyatake, H, Hasegawa, T, Yamano, A.
登録日2005-12-09
公開日2006-07-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献New methods to prepare iodinated derivatives by vaporizing iodine labelling (VIL) and hydrogen peroxide VIL (HYPER-VIL)
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
1PCE
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BU of 1pce by Molmil
SOLUTION STRUCTURE AND DYNAMICS OF PEC-60, A PROTEIN OF THE KAZAL TYPE INHIBITOR FAMILY, DETERMINED BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY
分子名称: PEC-60
著者Liepinsh, E, Berndt, K.D, Sillard, R, Mutt, V, Otting, G.
登録日1994-02-22
公開日1994-04-30
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献Solution structure and dynamics of PEC-60, a protein of the Kazal type inhibitor family, determined by nuclear magnetic resonance spectroscopy.
J.Mol.Biol., 239, 1994
4WED
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BU of 4wed by Molmil
Crystal structure of ABC transporter substrate-binding protein from Sinorhizobium meliloti
分子名称: ABC transporter, periplasmic solute-binding protein, FORMIC ACID, ...
著者Shabalin, I.G, Otwinowski, Z, Bacal, P, Cymborowski, M.T, Handing, K.B, Stead, M, Hammonds, J, Ahmed, M, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
登録日2014-09-09
公開日2014-09-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structure of ABC transporter substrate-binding protein from Sinorhizobium meliloti
to be published
1QY6
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Structue of V8 Protease from Staphylococcus aureus
分子名称: POTASSIUM ION, serine protease
著者Prasad, L, Leduc, Y, Hayakawa, K, Delbaere, L.T.J.
登録日2003-09-09
公開日2004-02-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The structure of a universally employed enzyme: V8 protease from Staphylococcus aureus.
Acta Crystallogr.,Sect.D, 60, 2004
1HNS
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BU of 1hns by Molmil
H-NS (DNA-BINDING DOMAIN)
分子名称: H-NS
著者Shindo, H, Iwaki, T, Ieda, R, Kurumizaka, H, Ueguchi, C, Mizuno, T, Morikawa, S, Nakamura, H, Kuboniwa, H.
登録日1995-04-06
公開日1995-07-10
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of the DNA binding domain of a nucleoid-associated protein, H-NS, from Escherichia coli.
FEBS Lett., 360, 1995
1HTM
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BU of 1htm by Molmil
STRUCTURE OF INFLUENZA HAEMAGGLUTININ AT THE PH OF MEMBRANE FUSION
分子名称: HEMAGGLUTININ HA1 CHAIN, HEMAGGLUTININ HA2 CHAIN
著者Bullough, P.A, Hughson, F.M, Skehel, J.J, Wiley, D.C.
登録日1994-11-02
公開日1995-02-14
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of influenza haemagglutinin at the pH of membrane fusion.
Nature, 371, 1994
1I1B
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BU of 1i1b by Molmil
CRYSTAL STRUCTURE OF RECOMBINANT HUMAN INTERLEUKIN-1BETA AT 2.0 ANGSTROMS RESOLUTION
分子名称: INTERLEUKIN-1 BETA
著者Finzel, B.C, Watenpaugh, K.D, Einspahr, H.M.
登録日1989-12-05
公開日1990-01-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of recombinant human interleukin-1 beta at 2.0 A resolution.
J.Mol.Biol., 209, 1989
4WEQ
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Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc02828 (SmGhrA) from Sinorhizobium meliloti in complex with NADP and sulfate
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Sroka, P, Gasiorowska, O.A, Handing, K.B, Shabalin, I.G, Osinski, T, Hillerich, B.S, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
登録日2014-09-10
公開日2014-09-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural, Biochemical, and Evolutionary Characterizations of Glyoxylate/Hydroxypyruvate Reductases Show Their Division into Two Distinct Subfamilies.
Biochemistry, 57, 2018
8CYZ
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Crystal structure of SARS-CoV-2 Mpro with compound C4
分子名称: 3C-like proteinase, N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-[4-(methylsulfanyl)phenyl]acetamide
著者Worrall, L.J, Lee, J, Strynadka, N.C.J.
登録日2022-05-24
公開日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
8CZ7
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Crystal structure of SARS-CoV-2 Mpro with compound C2
分子名称: 3C-like proteinase, N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-(4-methoxyphenyl)acetamide
著者Worrall, L.J, Lee, J, Strynadka, N.C.J.
登録日2022-05-24
公開日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023

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