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5PAI
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BU of 5pai by Molmil
human factor VIIa in complex with N-(2-amino-1H-benzimidazol-5-yl)-1-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]methyl]phenyl]-5-hydroxypyrazole-4-carboxamide at 1.73A
分子名称: CALCIUM ION, CHLORIDE ION, Coagulation factor VII heavy chain, ...
著者Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G.
登録日2016-11-10
公開日2017-06-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Crystal Structure of a Factor VIIa complex
To be published
5PAE
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BU of 5pae by Molmil
Crystal Structure of Factor VIIa in complex with (2S)-2-hydroxy-N-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]propanamide
分子名称: (2S)-2-hydroxy-N-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]propanamide, CALCIUM ION, Coagulation factor VII heavy chain, ...
著者Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G.
登録日2016-11-10
公開日2017-06-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal Structure of a Factor VIIa complex
To be published
5PAV
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BU of 5pav by Molmil
Crystal Structure of Factor VIIa in complex with N-(6-aminopyridin-3-yl)-5-hydroxy-1-phenylpyrazole-4-carboxamide
分子名称: CALCIUM ION, CHLORIDE ION, Coagulation factor VII heavy chain, ...
著者Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G.
登録日2016-11-10
公開日2017-06-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal Structure of a Factor VIIa complex
To be published
5PB6
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BU of 5pb6 by Molmil
Crystal Structure of Factor VIIa in complex with N-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]pentanamide
分子名称: CALCIUM ION, CHLORIDE ION, Coagulation factor VII heavy chain, ...
著者Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G.
登録日2016-11-16
公開日2017-06-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of a Factor VIIa complex
To be published
5PAO
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BU of 5pao by Molmil
Crystal Structure of Factor VIIa in complex with (2S)-2,3-dihydroxy-N-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]propanamide;hydrobromide
分子名称: (2S)-2,3-dihydroxy-N-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]propanamide, CALCIUM ION, CHLORIDE ION, ...
著者Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G.
登録日2016-11-10
公開日2017-06-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal Structure of a Factor VIIa complex
To be published
5PAN
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BU of 5pan by Molmil
Crystal Structure of Factor VIIa in complex with 5-hydroxy-N-(3-oxo-1,2-dihydroisoindol-5-yl)-1-[3-[(phenylcarbamoylamino)methyl]phenyl]pyrazole-4-carboxamide
分子名称: 5-hydroxy-N-(1-oxo-1H-isoindol-6-yl)-1-(3-{[(phenylcarbamoyl)amino]methyl}phenyl)-1H-pyrazole-4-carboxamide, CALCIUM ION, CHLORIDE ION, ...
著者Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G.
登録日2016-11-10
公開日2017-06-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Crystal Structure of a Factor VIIa complex
To be published
5PAU
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BU of 5pau by Molmil
Crystal Structure of Factor VIIa in complex with N-(2-amino-1H-benzimidazol-5-yl)-2-[3-[(2-amino-2-oxoethyl)-methylsulfonylamino]phenyl]acetamide;2,2,2-trifluoroacetic acid
分子名称: CALCIUM ION, CHLORIDE ION, Coagulation factor VII heavy chain, ...
著者Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G.
登録日2016-11-10
公開日2017-06-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal Structure of a Factor VIIa complex
To be published
5PAK
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BU of 5pak by Molmil
Crystal Structure of Factor VIIa in complex with N-[[4-(aminomethyl)-2-(2-amino-2-oxoethoxy)phenyl]methyl]-2-(4-hydroxyphenyl)-2-methoxyacetamide;hydrochloride
分子名称: (2~{S})-~{N}-[[4-(aminomethyl)-2-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methyl]-2-(4-hydroxyphenyl)-2-methoxy-ethanami de, CALCIUM ION, Coagulation factor VII heavy chain, ...
著者Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G.
登録日2016-11-10
公開日2017-06-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Crystal Structure of a Factor VIIa complex
To be published
5PB5
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BU of 5pb5 by Molmil
human factor VIIa in complex with 1-[[3-[5-hydroxy-4-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)pyrazol-1-yl]phenyl]methyl]-3-phenylurea at 1.84A
分子名称: CALCIUM ION, CHLORIDE ION, Coagulation factor VII heavy chain, ...
著者Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G.
登録日2016-11-16
公開日2017-06-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Crystal Structure of a Factor VIIa complex
To be published
5PAA
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BU of 5paa by Molmil
Crystal Structure of Factor VIIa in complex with cyclohexylmethanamine
分子名称: AMINOMETHYLCYCLOHEXANE, CALCIUM ION, CHLORIDE ION, ...
著者Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G.
登録日2016-11-10
公開日2017-06-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Crystal Structure of a Factor VIIa complex
To be published
5PAM
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BU of 5pam by Molmil
Crystal Structure of Factor VIIa in complex with 2-[(1-aminoisoquinolin-6-yl)amino]-2-(5-ethoxy-2-fluorophenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone
分子名称: (2~{R})-2-[(1-azanylisoquinolin-6-yl)amino]-2-(5-ethoxy-2-fluoranyl-phenyl)-1-[(2~{R})-2-phenylpyrrolidin-1-yl]ethanone, CALCIUM ION, CHLORIDE ION, ...
著者Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G.
登録日2016-11-10
公開日2017-06-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of a Factor VIIa complex
To be published
5PB0
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BU of 5pb0 by Molmil
Crystal Structure of Factor VIIa in complex with 2-(4-ethoxy-3-methoxyphenyl)-2-(isoquinolin-6-ylamino)acetic acid
分子名称: (2~{R})-2-(4-ethoxy-3-methoxy-phenyl)-2-(isoquinolin-6-ylamino)ethanoic acid, CALCIUM ION, CHLORIDE ION, ...
著者Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G.
登録日2016-11-10
公開日2017-06-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Crystal Structure of a Factor VIIa complex
To be published
5PAB
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BU of 5pab by Molmil
Crystal Structure of Factor VIIa in complex with 1-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-3-phenylurea
分子名称: 1-[[3-[2-oxidanyl-3-(1~{H}-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-3-phenyl-urea, CALCIUM ION, CHLORIDE ION, ...
著者Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G.
登録日2016-11-10
公開日2017-06-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Crystal Structure of a Factor VIIa complex
To be published
5PAR
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BU of 5par by Molmil
Crystal Structure of Factor VIIa in complex with 1H-benzimidazol-2-amine
分子名称: 1H-benzimidazol-2-amine, CALCIUM ION, CHLORIDE ION, ...
著者Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G.
登録日2016-11-10
公開日2017-06-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of a Factor VIIa complex
To be published
7NXG
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BU of 7nxg by Molmil
Wax synthase 1 from Acinetobacter baylyi (AbWSD1) co-crystallized with myristic acid
分子名称: MYRISTIC ACID, O-acyltransferase WSD
著者Vollheyde, K, Kuehnel, K, Lambrecht, F, Kawelke, S, Herrfurth, C, Feussner, I.
登録日2021-03-18
公開日2022-03-30
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure of the Bifunctional Wax Synthase 1 from Acinetobacter baylyi Suggests a Conformational Change upon Substrate Binding and Formation of Additional Substrate Binding Sites
Acs Catalysis, 12, 2022
8D4U
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BU of 8d4u by Molmil
Crystal Structure of Neutrophil Elastase Inhibited by Eap2 from S. aureus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Extracellular Adherence Protein, ...
著者Gido, C.D, Herdendorf, T.J, Geisbrecht, B.V.
登録日2022-06-02
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Characterization of two distinct neutrophil serine protease-binding modes within a Staphylococcus aureus innate immune evasion protein family.
J.Biol.Chem., 299, 2023
8D4Q
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BU of 8d4q by Molmil
Crystal Structure of Neutrophil Elastase Inhibited by Eap1 from S. aureus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Extracellular Adherence Protein, Neutrophil elastase
著者Gido, C.D, Herdendorf, T.J, Geisbrecht, B.V.
登録日2022-06-02
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Characterization of two distinct neutrophil serine protease-binding modes within a Staphylococcus aureus innate immune evasion protein family.
J.Biol.Chem., 299, 2023
8D4S
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BU of 8d4s by Molmil
Crystal Structure of Cathepsin G Inhibited by Eap1 from S. aureus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cathepsin G, C-terminal truncated form, ...
著者Gido, C.D, Herdendorf, T.J, Geisbrecht, B.V.
登録日2022-06-02
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Characterization of two distinct neutrophil serine protease-binding modes within a Staphylococcus aureus innate immune evasion protein family.
J.Biol.Chem., 299, 2023
8D7I
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BU of 8d7i by Molmil
Bifunctional Inhibition of Neutrophil Elastase and Cathepsin G by Eap1 from S. aureus
分子名称: Cathepsin G, C-terminal truncated form, Extracellular Adherence Protein, ...
著者Gido, C.D, Herdendorf, T.J, Geisbrecht, B.V.
登録日2022-06-07
公開日2023-06-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.63 Å)
主引用文献Bifunctional Inhibition of Neutrophil Elastase and Cathepsin G by Eap1 from S. aureus
To Be Published
8D7K
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BU of 8d7k by Molmil
Bifunctional Inhibition of Neutrophil Elastase and Cathepsin G by Eap2 from S. aureus
分子名称: Cathepsin G, C-terminal truncated form, Extracellular Adherence Protein, ...
著者Gido, C.D, Herdendorf, T.J, Geisbrecht, B.V.
登録日2022-06-07
公開日2023-06-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Bifunctional Inhibition of Neutrophil Elastase and Cathepsin G by Eap2 from S. aureus
To Be Published
8CN9
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BU of 8cn9 by Molmil
Factor VII binding Fab of the bispecific antibody HMB-001 in complex with Factor VII
分子名称: CALCIUM ION, CESIUM ION, Coagulation factor VII, ...
著者Schluckebier, G, Johansson, E.
登録日2023-02-22
公開日2023-12-27
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献A bispecific antibody approach for the potential prophylactic treatment of inherited bleeding disorders
Nat Cardiovasc Res, 2023
8DEA
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BU of 8dea by Molmil
Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
分子名称: 1-[(3-acetylphenyl)acetyl]-N-(6-bromopyridin-2-yl)-L-prolinamide, Complement factor D, GLYCEROL
著者Raman, K, Babu, Y.S.
登録日2022-06-20
公開日2022-11-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.214 Å)
主引用文献Scaffold hopping via ring opening enables identification of acyclic compounds as new complement Factor D inhibitors.
Bioorg.Med.Chem., 74, 2022
8DG6
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BU of 8dg6 by Molmil
Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
分子名称: 1-{2-[(2S)-2-{[(3-chloro-2-fluorophenyl)methyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}-1H-indazole-3-carboxamide, Complement factor D
著者Raman, K, Babu, Y.S.
登録日2022-06-23
公開日2022-11-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.986 Å)
主引用文献Scaffold hopping via ring opening enables identification of acyclic compounds as new complement Factor D inhibitors.
Bioorg.Med.Chem., 74, 2022
8D95
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BU of 8d95 by Molmil
Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
分子名称: Complement factor D, N-(6-bromopyridin-2-yl)-1-[(3-cyanophenyl)acetyl]-L-prolinamide
著者Raman, K, Babu, Y.S.
登録日2022-06-09
公開日2022-11-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.166 Å)
主引用文献Scaffold hopping via ring opening enables identification of acyclic compounds as new complement Factor D inhibitors.
Bioorg.Med.Chem., 74, 2022
8D4V
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BU of 8d4v by Molmil
Crystal Structure of Cathepsin G Inhibited by Eap2 from S. aureus
分子名称: Cathepsin G, C-terminal truncated form, Extracellular Adherence Protein, ...
著者Gido, C.D, Herdendorf, T.J, Geisbrecht, B.V.
登録日2022-06-02
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Characterization of two distinct neutrophil serine protease-binding modes within a Staphylococcus aureus innate immune evasion protein family.
J.Biol.Chem., 299, 2023

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件を2024-08-28に公開中

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