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PDB: 1599 件
6XQU
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Room-temperature X-ray Crystal structure of SARS-CoV-2 main protease in complex with Boceprevir
分子名称: 3C-like proteinase, boceprevir (bound form)
著者Kneller, D.W, Kovalevsky, A, Coates, L.
登録日2020-07-10
公開日2020-07-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Malleability of the SARS-CoV-2 3CL M pro Active-Site Cavity Facilitates Binding of Clinical Antivirals.
Structure, 28, 2020
4W8B
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Crystal structure of XEG5B, a GH5 xyloglucan-specific beta-1,4-glucanase from ruminal metagenomic library, in complex with XXLG
分子名称: Exo-xyloglucanase, GLYCEROL, SULFATE ION, ...
著者Santos, C.R, Cordeiro, R.L, Wong, D.W.S, Murakami, M.T.
登録日2014-08-22
公開日2015-03-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structural Basis for Xyloglucan Specificity and alpha-d-Xylp(1 6)-d-Glcp Recognition at the -1 Subsite within the GH5 Family.
Biochemistry, 54, 2015
6XHU
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Room temperature X-ray crystallography reveals oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL Mpro: Insights for enzyme mechanism and drug design
分子名称: 3C-like proteinase
著者Kneller, D.W, Coates, L, Kovalevsky, A.
登録日2020-06-19
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Room-temperature X-ray crystallography reveals the oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL M pro : insights into enzyme mechanism and drug design.
Iucrj, 7, 2020
6ZW8
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Isopenicillin N synthase in complex with Cd and ACV.
分子名称: CADMIUM ION, GLYCEROL, Isopenicillin N synthase, ...
著者Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
登録日2020-07-27
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
6XNN
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Crystal Structure of Mouse STING CTD complex with SR-717.
分子名称: 4,5-difluoro-2-{[6-(1H-imidazol-1-yl)pyridazine-3-carbonyl]amino}benzoic acid, Stimulator of interferon genes protein
著者Chin, E.N, Yu, C, Wolan, D.W, Petrassi, H.M, Lairson, L.L.
登録日2020-07-03
公開日2020-08-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Antitumor activity of a systemic STING-activating non-nucleotide cGAMP mimetic.
Science, 369, 2020
1MIE
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Crystal Structure Of The Fab Fragment of Esterolytic Antibody MS5-393
分子名称: IMMUNOGLOBULIN MS5-393
著者Ruzheinikov, S.N, Muranova, T.A, Sedelnikova, S.E, Partridge, L.J, Blackburn, G.M, Murray, I.A, Kakinuma, H, Takashi, N, Shimazaki, K, Sun, J, Nishi, Y, Rice, D.W.
登録日2002-08-23
公開日2003-09-23
最終更新日2011-11-16
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献High-resolution crystal structure of the Fab-fragments of a family of mouse catalytic antibodies with esterase activity
J.Mol.Biol., 332, 2003
3ZKI
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BACE2 MUTANT STRUCTURE WITH LIGAND
分子名称: 5-(2,2,2-Trifluoro-ethoxy)-pyridine-2-carboxylic acid [3-((S)-2-amino-1,4-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyrimidin-4-yl)-phenyl]-amide, BETA-SECRETASE 2
著者Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A.
登録日2013-01-23
公開日2013-05-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
1KKO
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CRYSTAL STRUCTURE OF CITROBACTER AMALONATICUS METHYLASPARTATE AMMONIA LYASE
分子名称: 3-METHYLASPARTATE AMMONIA-LYASE, SULFATE ION
著者Levy, C.W, Buckley, P.A, Sedelnikova, S, Kato, Y, Asano, Y, Rice, D.W, Baker, P.J.
登録日2001-12-10
公開日2002-01-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Insights into enzyme evolution revealed by the structure of methylaspartate ammonia lyase.
Structure, 10, 2002
1TNR
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CRYSTAL STRUCTURE OF THE SOLUBLE HUMAN 55 KD TNF RECEPTOR-HUMAN TNF-BETA COMPLEX: IMPLICATIONS FOR TNF RECEPTOR ACTIVATION
分子名称: TUMOR NECROSIS FACTOR BETA, TUMOR NECROSIS FACTOR RECEPTOR P55
著者Banner, D.W.
登録日1994-05-09
公開日1994-07-31
最終更新日2022-08-24
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Crystal structure of the soluble human 55 kd TNF receptor-human TNF beta complex: implications for TNF receptor activation.
Cell(Cambridge,Mass.), 73, 1993
4W86
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Crystal structure of XEG5A, a GH5 xyloglucan-specific endo-beta-1,4-glucanase from ruminal metagenomic library, in complex with glucose and TRIS
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, Xyloglucan-specific endo-beta-1,4-glucanase, ...
著者Santos, C.R, Cordeiro, R.L, Wong, D.W.S, Murakami, M.T.
登録日2014-08-22
公開日2015-03-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Structural Basis for Xyloglucan Specificity and alpha-d-Xylp(1 6)-d-Glcp Recognition at the -1 Subsite within the GH5 Family.
Biochemistry, 54, 2015
1UGA
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HUMAN CARBONIC ANHYDRASE II[HCAII] (E.C.4.2.1.1) MUTANT WITH ALA 65 REPLACED BY PHE (A65F)
分子名称: CARBONIC ANHYDRASE II, ZINC ION
著者Scolnick, L.R, Christianson, D.W.
登録日1996-07-24
公開日1997-01-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray crystallographic studies of alanine-65 variants of carbonic anhydrase II reveal the structural basis of compromised proton transfer in catalysis.
Biochemistry, 35, 1996
1UGF
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HUMAN CARBONIC ANHYDRASE II [HCAII] (E.C.4.2.1.1) MUTANT WITH ALA 65 REPLACED BY THR (A65T)
分子名称: AZIDE ION, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
著者Scolnick, L.R, Christianson, D.W.
登録日1996-07-24
公開日1997-04-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray crystallographic studies of alanine-65 variants of carbonic anhydrase II reveal the structural basis of compromised proton transfer in catalysis.
Biochemistry, 35, 1996
1KIZ
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D100E trichodiene synthase complexed with pyrophosphate
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, PYROPHOSPHATE 2-, ...
著者Rynkiewicz, M.J, Cane, D.E, Christianson, D.W.
登録日2001-12-03
公開日2002-03-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献X-ray crystal structures of D100E trichodiene synthase and its pyrophosphate complex reveal the basis for terpene product diversity.
Biochemistry, 41, 2002
1UGG
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HUMAN CARBONIC ANHYDRASE II[HCAII] (E.C.4.2.1.1) MUTANT WITH ALA 65 REPLACED BY SER (A65S)-ORTHORHOMBIC FORM
分子名称: CARBONIC ANHYDRASE II, ZINC ION
著者Scolnick, L.R, Christianson, D.W.
登録日1996-07-24
公開日1997-01-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献X-ray crystallographic studies of alanine-65 variants of carbonic anhydrase II reveal the structural basis of compromised proton transfer in catalysis.
Biochemistry, 35, 1996
8V3K
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F95S-F198S epi-Isozizaene Synthase: complex with 3 Mg2+, inorganic pyrophosphate, and benzyl triethyl ammonium cation
分子名称: DIPHOSPHATE, Epi-isozizaene synthase, GLYCEROL, ...
著者Christianson, D.W, Eaton, S.A.
登録日2023-11-28
公開日2024-01-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Structure-Based Engineering of a Sesquiterpene Cyclase to Generate an Alcohol Product: Conversion of epi -Isozizaene Synthase into alpha-Bisabolol Synthase.
Biochemistry, 63, 2024
1UGE
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HUMAN CARBONIC ANHYDRASE II [HCAII] (E.C.4.2.1.1) MUTANT WITH ALA 65 REPLACED BY LEU (A65L)
分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION
著者Scolnick, L.R, Christianson, D.W.
登録日1996-07-24
公開日1997-04-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献X-ray crystallographic studies of alanine-65 variants of carbonic anhydrase II reveal the structural basis of compromised proton transfer in catalysis.
Biochemistry, 35, 1996
8V0F
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Cryo-EM structure of the unliganded hexameric prenyltransferase in bifunctional copalyl diphosphate synthase from Penicillium fellutanum with an open conformation
分子名称: Copalyl diphosphate synthase
著者Gaynes, M.N, Christianson, D.W.
登録日2023-11-17
公開日2024-01-17
最終更新日2024-01-24
実験手法ELECTRON MICROSCOPY (2.81 Å)
主引用文献Structure of the prenyltransferase in bifunctional copalyl diphosphate synthase from Penicillium fellutanum reveals an open hexamer conformation.
J.Struct.Biol., 216, 2024
6XCH
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Room-temperature X-ray Crystal structure of SARS-CoV-2 main protease in complex with Leupeptin
分子名称: 3C-like proteinase, Leupeptin
著者Kneller, D.W, Kovalevsky, A, Coates, L.
登録日2020-06-08
公開日2020-06-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Malleability of the SARS-CoV-2 3CL M pro Active-Site Cavity Facilitates Binding of Clinical Antivirals.
Structure, 28, 2020
1KMS
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HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND 6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE (SRI-9439), A LIPOPHILIC ANTIFOLATE
分子名称: 6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Klon, A.E, Heroux, A, Ross, L.J, Pathak, V, Johnson, C.A, Piper, J.R, Borhani, D.W.
登録日2001-12-17
公開日2002-07-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Atomic structures of human dihydrofolate reductase complexed with NADPH and two lipophilic antifolates at 1.09 a and 1.05 a resolution.
J.Mol.Biol., 320, 2002
1MH5
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The Structure Of The Complex Of The Fab Fragment Of The Esterolytic Antibody MS6-164 and A Transition-State Analog
分子名称: IMMUNOGLOBULIN MS6-164, N-{[2-({[1-(4-CARBOXYBUTANOYL)AMINO]-2-PHENYLETHYL}-HYDROXYPHOSPHINYL)OXY]ACETYL}-2-PHENYLETHYLAMINE, SULFATE ION
著者Ruzheinikov, S.N, Muranova, T.A, Sedelnikova, S.E, Partridge, L.J, Blackburn, G.M, Murray, I.A, Kakinuma, H, Takashi, N, Shimazaki, K, Sun, J, Nishi, Y, Rice, D.W.
登録日2002-08-19
公開日2003-09-23
最終更新日2011-11-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献High-resolution crystal structure of the Fab-fragments of a family of mouse catalytic antibodies with esterase activity
J.Mol.Biol., 332, 2003
1MJ8
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High Resolution Crystal Structure Of The Fab Fragment of The Esterolytic Antibody MS6-126
分子名称: GLYCEROL, IMMUNOGLOBULIN MS6-126, PHOSPHATE ION
著者Ruzheinikov, S.N, Muranova, T.A, Sedelnikova, S.E, Partridge, L.J, Blackburn, G.M, Murray, I.A, Kakinuma, H, Takashi, N, Shimazaki, K, Sun, J, Nishi, Y, Rice, D.W.
登録日2002-08-27
公開日2003-09-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献High-resolution crystal structure of the Fab-fragments of a family of mouse catalytic antibodies with esterase activity
J.Mol.Biol., 332, 2003
4BQV
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MOUSE CATHEPSIN S WITH COVALENT LIGAND
分子名称: (2S,4R)-N-(1-cyanocyclopropyl)-1-(1-methylcyclopropanecarbonyl)-4-[4-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide, CATHEPSIN S
著者Banner, D.W, Benz, J, Gsell, B, Stihle, M, Ruf, A, Haap, W.
登録日2013-06-03
公開日2014-06-18
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Cathepsin S Nitrile Inhibitors
To be Published
3ZKX
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TERNARY BACE2 XAPERONE COMPLEX
分子名称: BETA-SECRETASE 2, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Kuglstatter, A, Banner, D.W, Benz, J, Bertschinger, J, Burger, D, Cuppuleri, S, Debulpaep, M, Gast, A, Grabulovski, D, Gsell, B, Hilpert, H, Huber, W, Kusznir, E, Laeremans, T, Matile, H, Rufer, A, Schlatter, D, Steyeart, J, Stihle, M, Thoma, R, Weber, M, Ruf, A.
登録日2013-01-25
公開日2013-05-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
4V35
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The Structure of A-PGS from Pseudomonas aeruginosa
分子名称: ACETATE ION, ALANYL-TRNA-DEPENDENT L-ALANYL- PHOPHATIDYLGLYCEROL SYNTHASE, CALCIUM ION, ...
著者Krausze, J, Hebecker, S, Hasenkampf, T, Heinz, D.W, Moser, J.
登録日2014-10-16
公開日2015-08-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of Two Bacterial Resistance Factors Mediating tRNA-Dependent Aminoacylation of Phosphatidylglycerol with Lysine or Alanine.
Proc.Natl.Acad.Sci.USA, 112, 2015
4V36
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The structure of L-PGS from Bacillus licheniformis
分子名称: 2,6-DIAMINO-HEXANOIC ACID AMIDE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, LYSYL-TRNA-DEPENDENT L-YSYL-PHOSPHATIDYLGYCEROL SYNTHASE
著者Krausze, J, Hebecker, S, Heinz, D.W, Moser, J.
登録日2014-10-16
公開日2015-08-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of Two Bacterial Resistance Factors Mediating tRNA-Dependent Aminoacylation of Phosphatidylglycerol with Lysine or Alanine.
Proc.Natl.Acad.Sci.USA, 112, 2015

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