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5CS5
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BU of 5cs5 by Molmil
The structure of the NK1 fragment of HGF/SF complexed with PIPES
分子名称: Hepatocyte growth factor, PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID)
著者Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E.
登録日2015-07-23
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding.
Chem Sci, 6, 2015
5CT2
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BU of 5ct2 by Molmil
The structure of the NK1 fragment of HGF/SF complexed with CAPS
分子名称: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Hepatocyte growth factor
著者Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E.
登録日2015-07-23
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding.
Chem Sci, 6, 2015
5CT3
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BU of 5ct3 by Molmil
The structure of the NK1 fragment of HGF/SF complexed with 2FA
分子名称: 3-hydroxypropane-1-sulfonic acid, Hepatocyte growth factor
著者Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E.
登録日2015-07-23
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding.
Chem Sci, 6, 2015
5CS3
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BU of 5cs3 by Molmil
The structure of the NK1 fragment of HGF/SF complexed with (H)EPPS
分子名称: 3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID, Hepatocyte growth factor
著者Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E.
登録日2015-07-23
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding.
Chem Sci, 6, 2015
7A2I
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BU of 7a2i by Molmil
Cryo-EM structure of W107R KatG from M. tuberculosis
分子名称: Catalase-peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Blundell, T.L, Chaplin, A.K, Munir, A.
登録日2020-08-18
公開日2021-01-27
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Using cryo-EM to understand antimycobacterial resistance in the catalase-peroxidase (KatG) from Mycobacterium tuberculosis.
Structure, 29, 2021
7A7C
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BU of 7a7c by Molmil
Cryo-EM structure of W107R after heme uptake (1heme molecule) KatG from M. tuberculosis
分子名称: Catalase-peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Blundell, T.L, Chaplin, A.K, Munir, A.
登録日2020-08-27
公開日2021-01-27
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献Using cryo-EM to understand antimycobacterial resistance in the catalase-peroxidase (KatG) from Mycobacterium tuberculosis.
Structure, 29, 2021
7A7A
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BU of 7a7a by Molmil
Cryo-EM structure of W107R after heme uptake (2heme molecules) KatG from M. tuberculosis
分子名称: Catalase-peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Blundell, T.L, Chaplin, A.K, Munir, A.
登録日2020-08-27
公開日2021-01-27
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Using cryo-EM to understand antimycobacterial resistance in the catalase-peroxidase (KatG) from Mycobacterium tuberculosis.
Structure, 29, 2021
7A8Z
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BU of 7a8z by Molmil
Cryo-EM structure of T275P KatG from M. tuberculosis
分子名称: Catalase-peroxidase
著者Blundell, T.L, Chaplin, A.K, Munir, A.
登録日2020-08-31
公開日2021-01-27
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Using cryo-EM to understand antimycobacterial resistance in the catalase-peroxidase (KatG) from Mycobacterium tuberculosis.
Structure, 29, 2021
7AA3
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BU of 7aa3 by Molmil
T275P after heme uptake from M. tuberculosis
分子名称: Catalase-peroxidase
著者Blundell, T.L, Chaplin, A.K, Munir, A.
登録日2020-09-03
公開日2021-01-27
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (3.56 Å)
主引用文献Using cryo-EM to understand antimycobacterial resistance in the catalase-peroxidase (KatG) from Mycobacterium tuberculosis.
Structure, 29, 2021
7AG8
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BU of 7ag8 by Molmil
Cryo-EM structure of wild-type KatG from M. tuberculosis
分子名称: Catalase-peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Blundell, T.L, Chaplin, A.K, Munir, A.
登録日2020-09-21
公開日2021-01-27
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (2.68 Å)
主引用文献Using cryo-EM to understand antimycobacterial resistance in the catalase-peroxidase (KatG) from Mycobacterium tuberculosis.
Structure, 29, 2021
7OPL
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BU of 7opl by Molmil
CryoEM structure of DNA Polymerase alpha - primase bound to SARS CoV nsp1
分子名称: DNA polymerase alpha catalytic subunit, DNA polymerase alpha subunit B, DNA primase large subunit, ...
著者Kilkenny, M.L, Pellegrini, L.
登録日2021-06-01
公開日2021-11-10
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (4.12 Å)
主引用文献Structural basis for the interaction of SARS-CoV-2 virulence factor nsp1 with DNA polymerase alpha-primase.
Protein Sci., 31, 2022
7OTP
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BU of 7otp by Molmil
DNA-PKcs in complex with ATPgammaS-Mg
分子名称: DNA-dependent protein kinase catalytic subunit,DNA-PKcs, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
著者Liang, S, Thomas, S.E, Blundell, T.L.
登録日2021-06-10
公開日2022-01-12
最終更新日2022-02-09
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural insights into inhibitor regulation of the DNA repair protein DNA-PKcs.
Nature, 601, 2022
7OTY
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BU of 7oty by Molmil
DNA-PKcs in complex with M3814
分子名称: (~{S})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol, DNA-dependent protein kinase catalytic subunit,DNA-PKcs
著者Liang, S, Thomas, S.E, Blundell, T.L.
登録日2021-06-10
公開日2022-01-12
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (2.96 Å)
主引用文献Structural insights into inhibitor regulation of the DNA repair protein DNA-PKcs.
Nature, 601, 2022
7OTM
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BU of 7otm by Molmil
Cryo-EM structure of DNA-PKcs in complex with NU7441
分子名称: 8-(dibenzo[b,d]thiophen-4-yl)-2-(morpholin-4-yl)-4H-chromen-4-one, DNA-dependent protein kinase catalytic subunit,DNA-PKcs
著者Liang, S, Thomas, S.E, Blundell, T.L.
登録日2021-06-10
公開日2022-01-12
最終更新日2022-02-09
実験手法ELECTRON MICROSCOPY (3.33 Å)
主引用文献Structural insights into inhibitor regulation of the DNA repair protein DNA-PKcs.
Nature, 601, 2022
7OTW
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BU of 7otw by Molmil
DNA-PKcs in complex with AZD7648
分子名称: 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one, DNA-dependent protein kinase catalytic subunit,DNA-PKcs
著者Liang, S, Thomas, S.E, Blundell, T.L.
登録日2021-06-10
公開日2022-01-12
最終更新日2022-02-09
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献Structural insights into inhibitor regulation of the DNA repair protein DNA-PKcs.
Nature, 601, 2022
7OTV
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BU of 7otv by Molmil
DNA-PKcs in complex with wortmannin
分子名称: (1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-3H-FURO[4, 3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-11-YL ACETATE, DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-PKcs
著者Liang, S, Thomas, S.E, Blundell, T.L.
登録日2021-06-10
公開日2022-01-12
最終更新日2022-02-09
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献Structural insights into inhibitor regulation of the DNA repair protein DNA-PKcs.
Nature, 601, 2022
7PBD
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BU of 7pbd by Molmil
a1b3 GABA-A receptor + GABA
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, GAMMA-AMINO-BUTANOIC ACID, ...
著者Miller, P.S, Kasaragod, V.B.
登録日2021-08-02
公開日2022-02-09
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Mechanisms of inhibition and activation of extrasynaptic alpha beta GABA A receptors.
Nature, 602, 2022
7PC0
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BU of 7pc0 by Molmil
GABA-A receptor bound by a-Cobratoxin
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, Alpha-cobratoxin, ...
著者Kasaragod, V.B, Miller, P.S.
登録日2021-08-03
公開日2022-02-09
最終更新日2022-03-02
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Mechanisms of inhibition and activation of extrasynaptic alpha beta GABA A receptors.
Nature, 602, 2022
7PBZ
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a1b3 GABA-A receptor + GABA + Zn2+
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, DECANE, ...
著者Miller, P.S, Kasaragod, V.B.
登録日2021-08-03
公開日2022-02-09
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.79 Å)
主引用文献Mechanisms of inhibition and activation of extrasynaptic alpha beta GABA A receptors.
Nature, 602, 2022
7Z6O
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BU of 7z6o by Molmil
X-Ray studies of Ku70/80 reveal the binding site for IP6
分子名称: DNA (5'-D(*GP*TP*TP*TP*TP*TP*AP*GP*TP*TP*TP*AP*T)-3'), DNA (5'-D(P*AP*AP*AP*TP*AP*AP*AP*CP*TP*AP*AP*AP*AP*AP*C)-3'), INOSITOL HEXAKISPHOSPHATE, ...
著者Varela, P.F, Charbonnier, J.B.
登録日2022-03-14
公開日2023-08-30
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Structural and functional basis of inositol hexaphosphate stimulation of NHEJ through stabilization of Ku-XLF interaction.
Nucleic Acids Res., 51, 2023
7ZT6
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BU of 7zt6 by Molmil
Cryo-EM structure of Ku 70/80 bound to inositol hexakisphosphate
分子名称: INOSITOL HEXAKISPHOSPHATE, X-ray repair cross-complementing protein 5, X-ray repair cross-complementing protein 6
著者Kefala Stavridi, A, Chaplin, A.K, Blundell, T.L.
登録日2022-05-09
公開日2023-05-17
最終更新日2023-12-06
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural and functional basis of inositol hexaphosphate stimulation of NHEJ through stabilization of Ku-XLF interaction.
Nucleic Acids Res., 51, 2023
8ASC
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BU of 8asc by Molmil
Ku70/80 binds to the Ku-binding motif of PAXX
分子名称: DNA (5'-D(P*CP*GP*GP*AP*TP*CP*GP*AP*GP*GP*GP*CP*CP*CP*GP*AP*TP*AP*T)-3'), DNA (5'-D(P*GP*GP*GP*CP*CP*CP*TP*CP*GP*AP*TP*CP*CP*G)-3'), Protein PAXX, ...
著者Seif El Dahan, M, Ropars, V, Charbonnier, J.B.
登録日2022-08-19
公開日2023-06-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献PAXX binding to the NHEJ machinery explains functional redundancy with XLF.
Sci Adv, 9, 2023
8BOT
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BU of 8bot by Molmil
Cryo-EM structure of NHEJ supercomplex(trimer)
分子名称: DNA (24-MER), DNA (27-MER), DNA (28-MER), ...
著者Hardwick, S.W, Chaplin, A.K.
登録日2022-11-15
公開日2023-06-28
最終更新日2023-08-16
実験手法ELECTRON MICROSCOPY (7.76 Å)
主引用文献Cryo-EM structure of a DNA-PK trimer: higher order oligomerisation in NHEJ.
Structure, 31, 2023
8BSC
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BU of 8bsc by Molmil
CryoEM structure of the RAD51 nucleoprotein filament in the presence of ADP and Ca2+
分子名称: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, DNA repair protein RAD51 homolog 1
著者Appleby, R, Bollschweiler, D, Pellegrini, L.
登録日2022-11-24
公開日2023-05-03
最終更新日2023-05-31
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献A metal ion-dependent mechanism of RAD51 nucleoprotein filament disassembly.
Iscience, 26, 2023
8BR2
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BU of 8br2 by Molmil
CryoEM structure of the post-synaptic RAD51 nucleoprotein filament in the presence of ATP and Ca2+
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(P*GP*CP*GP*AP*GP*CP*TP*CP*GP*AP*TP*GP*CP*AP*CP*CP*TP*CP*CP*A)-3'), ...
著者Appleby, R, Bollschweiler, D, Pellegrini, L.
登録日2022-11-22
公開日2023-05-03
最終更新日2023-05-31
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献A metal ion-dependent mechanism of RAD51 nucleoprotein filament disassembly.
Iscience, 26, 2023

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