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5QBI
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BU of 5qbi by Molmil
Crystal structure of Endothiapepsin-FRG274 complex
分子名称: ACETATE ION, Endothiapepsin, GLYCEROL, ...
著者Huschmann, F.
登録日2017-08-04
公開日2020-04-22
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.624 Å)
主引用文献Crystal structure of Endothiapepsin
To be published
5QBT
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BU of 5qbt by Molmil
Crystal structure of Endothiapepsin-NAT17-346985 complex
分子名称: (1S,2S,3S,4R,5R)-2-[(cyclopropylmethyl)amino]-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Huschmann, F.
登録日2017-08-04
公開日2020-04-22
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.299 Å)
主引用文献Crystal structure of Endothiapepsin
To be published
5QB5
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BU of 5qb5 by Molmil
Crystal structure of Endothiapepsin-FRG056 complex
分子名称: (1S,2S,3S,4R,5R)-2-amino-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol, ACETATE ION, Endothiapepsin, ...
著者Huschmann, F.
登録日2017-08-04
公開日2020-04-22
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal structure of Endothiapepsin
To be published
5QBH
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BU of 5qbh by Molmil
Crystal structure of Endothiapepsin-FRG270 complex
分子名称: 2-[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxytetrahydrofuran-2-yl]-N-(pyridin-2-ylmethyl)acetamide, ACETATE ION, Endothiapepsin, ...
著者Huschmann, F.
登録日2017-08-04
公開日2020-04-22
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.469 Å)
主引用文献Crystal structure of Endothiapepsin
To be published
2J88
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BU of 2j88 by Molmil
Hyaluronidase in complex with a monoclonal IgG Fab fragment
分子名称: FAB, HYALURONONGLUCOSAMINIDASE
著者Padavattan, S, Schirmer, T, Markovic-Housley, Z.
登録日2006-10-23
公開日2007-04-03
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Identification of a B-Cell Epitope of Hyaluronidase, a Major Bee Venom Allergen, from its Crystal Structure in Complex with a Specific Fab.
J.Mol.Biol., 368, 2007
7HUD
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BU of 7hud by Molmil
PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment B08 from the F2X-Entry Screen in monoclinic space group
分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ethyl 1,3-dihydro-2H-pyrrolo[3,4-c]pyridine-2-carboxylate
著者Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S.
登録日2025-01-07
公開日2025-01-15
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
7HUC
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BU of 7huc by Molmil
PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment B07 from the F2X-Entry Screen in monoclinic space group
分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-[3-(diethylamino)phenyl]ethanamide
著者Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S.
登録日2025-01-07
公開日2025-01-15
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
7HUE
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BU of 7hue by Molmil
PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment D08 from the F2X-Entry Screen in monoclinic space group
分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N,N',N'-trimethylurea
著者Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S.
登録日2025-01-07
公開日2025-01-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
7I1D
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BU of 7i1d by Molmil
PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment F04 from the F2X-Entry Screen in orthorhombic space group
分子名称: 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S.
登録日2025-02-03
公開日2025-05-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
7I14
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BU of 7i14 by Molmil
PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment B08 from the F2X-Entry Screen in orthorhombic space group
分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ethyl 1,3-dihydro-2H-pyrrolo[3,4-c]pyridine-2-carboxylate
著者Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S.
登録日2025-02-03
公開日2025-05-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
7I1H
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BU of 7i1h by Molmil
PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment G10 from the F2X-Entry Screen in orthorhombic space group
分子名称: 1-phenyl-1H-tetrazole, 3C-like proteinase nsp5, CHLORIDE ION, ...
著者Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S.
登録日2025-02-03
公開日2025-05-21
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
7I1J
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BU of 7i1j by Molmil
PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment H11 from the F2X-Entry Screen in orthorhombic space group
分子名称: 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S.
登録日2025-02-03
公開日2025-05-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
7I16
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BU of 7i16 by Molmil
PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment C07 from the F2X-Entry Screen in orthorhombic space group
分子名称: 3,4-dihydro-1~{H}-quinolin-2-one, 3C-like proteinase nsp5, CHLORIDE ION, ...
著者Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S.
登録日2025-02-03
公開日2025-05-21
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
7I18
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BU of 7i18 by Molmil
PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment D04 from the F2X-Entry Screen in orthorhombic space group
分子名称: 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S.
登録日2025-02-03
公開日2025-05-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
7I1A
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BU of 7i1a by Molmil
PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment D11 from the F2X-Entry Screen in orthorhombic space group
分子名称: 3-(1,3-thiazol-2-yl)propanoic acid, 3C-like proteinase nsp5, CHLORIDE ION, ...
著者Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S.
登録日2025-02-03
公開日2025-05-21
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
7I19
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BU of 7i19 by Molmil
PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment D08 from the F2X-Entry Screen in orthorhombic space group
分子名称: 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S.
登録日2025-02-03
公開日2025-05-21
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
7I1G
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BU of 7i1g by Molmil
PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment G09 from the F2X-Entry Screen in orthorhombic space group
分子名称: (2R)-2-(acetylamino)-4-phenylbutanoic acid, 3C-like proteinase nsp5, CHLORIDE ION, ...
著者Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S.
登録日2025-02-03
公開日2025-05-21
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
7I17
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BU of 7i17 by Molmil
PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment C10 from the F2X-Entry Screen in orthorhombic space group
分子名称: 1,3-benzodioxole-5-carbothioamide, 3C-like proteinase nsp5, CHLORIDE ION, ...
著者Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S.
登録日2025-02-03
公開日2025-05-21
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
7I15
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BU of 7i15 by Molmil
PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment C02 from the F2X-Entry Screen in orthorhombic space group
分子名称: 2,4,5-tris(fluoranyl)-3-methoxy-benzoic acid, 3C-like proteinase nsp5, CHLORIDE ION, ...
著者Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S.
登録日2025-02-03
公開日2025-05-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
7I13
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BU of 7i13 by Molmil
PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment B05 from the F2X-Entry Screen in orthorhombic space group
分子名称: 2-acetylbenzoic acid, 3C-like proteinase nsp5, CHLORIDE ION, ...
著者Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S.
登録日2025-02-03
公開日2025-05-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
7I1C
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BU of 7i1c by Molmil
PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment E11 from the F2X-Entry Screen in orthorhombic space group
分子名称: 3C-like proteinase nsp5, CHLORIDE ION, [2-(morpholin-4-yl)-1,3-thiazol-5-yl]methanol
著者Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S.
登録日2025-02-03
公開日2025-05-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
7I1F
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BU of 7i1f by Molmil
PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment G04 from the F2X-Entry Screen in orthorhombic space group
分子名称: 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S.
登録日2025-02-03
公開日2025-05-21
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
7I1I
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BU of 7i1i by Molmil
PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment H03 from the F2X-Entry Screen in orthorhombic space group
分子名称: 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S.
登録日2025-02-03
公開日2025-05-21
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
7I1E
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BU of 7i1e by Molmil
PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment G03 from the F2X-Entry Screen in orthorhombic space group
分子名称: 3-ethoxybenzene-1-carboximidamide, 3C-like proteinase nsp5, CHLORIDE ION, ...
著者Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S.
登録日2025-02-03
公開日2025-05-21
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
6H2P
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BU of 6h2p by Molmil
Crystal Structure of Arg184Gln mutant of Human Prolidase with Mn ions and Cacodylate ligand
分子名称: CACODYLATE ION, GLYCEROL, MANGANESE (II) ION, ...
著者Wilk, P, Piwowarczyk, R, Weiss, M.S.
登録日2018-07-14
公開日2018-08-29
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.479 Å)
主引用文献Structural basis for prolidase deficiency disease mechanisms.
FEBS J., 285, 2018

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件を2025-07-09に公開中

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