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1URF
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BU of 1urf by Molmil
HR1b domain from PRK1
分子名称: PROTEIN KINASE C-LIKE 1
著者Owen, D, Lowe, P.N, Nietlispach, D, Brosnan, C.E, Chirgadze, D.Y, Parker, P.J, Blundell, T.L, Mott, H.R.
登録日2003-10-29
公開日2003-11-06
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Molecular Dissection of the Interaction between the Small G Proteins Rac1 and Rhoa and Protein Kinase C-Related Kinase 1 (Prk1)
J.Biol.Chem., 278, 2003
4HGL
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BU of 4hgl by Molmil
Crystal structure of ck1g3 with compound 1
分子名称: 2-[5-methoxy-2-(quinolin-3-yl)pyrimidin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one, Casein kinase I isoform gamma-3, SULFATE ION
著者Huang, X.
登録日2012-10-08
公開日2012-11-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-Based Design of Potent and Selective CK1 gamma Inhibitors.
ACS Med Chem Lett, 3, 2012
8REW
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BU of 8rew by Molmil
CryoEM structure of human GARP-lTGFbeta1 in complex with a Fab fragment derived from an activating antibody.
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, Transforming growth factor beta activator LRRC32, ...
著者Felix, J, Lambert, F, Marien, L, van der Woning, B, Savvides, S.N, Lucas, S.
登録日2023-12-12
公開日2025-03-26
最終更新日2025-10-08
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Antibody-mediated TGF-beta 1 activation for the treatment of diseases caused by deleterious T cell activity.
Cell Rep, 44, 2025
5IH7
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BU of 5ih7 by Molmil
Acetylcholinesterase of Torpedo californica in complex with the N-methyl-indoxylacetate hydrolysis products
分子名称: 1-methyl-1,2-dihydro-3H-indol-3-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Pesaresi, A, Lamba, D.
登録日2016-02-29
公開日2017-04-05
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Acetylcholinesterase of Torpedo californica in complex with the N-methyl-indoxylacetate hydrolysis products
To Be Published
1NXG
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BU of 1nxg by Molmil
The F383A variant of type II Citrate Synthase complexed with NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Citrate synthase, SULFATE ION
著者Maurus, R, Nguyen, N.T, Stokell, D.J, Ayed, A, Hultin, P.G, Duckworth, H.W, Brayer, G.D.
登録日2003-02-10
公開日2003-04-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Insights into the evolution of allosteric properties. The NADH binding site of hexameric type II citrate synthases.
Biochemistry, 42, 2003
5VCV
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BU of 5vcv by Molmil
CRYSTAL STRUCTURE OF HUMAN MYT1 KINASE DOMAIN IN COMPLEX WITH Dasatinib
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, ...
著者Zhu, J.-Y, Martin, M.P, Schonbrunn, E.
登録日2017-04-01
公開日2017-08-23
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors.
J. Med. Chem., 60, 2017
1NW4
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BU of 1nw4 by Molmil
Crystal Structure of Plasmodium falciparum Purine Nucleoside Phosphorylase in complex with ImmH and Sulfate
分子名称: 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, ISOPROPYL ALCOHOL, SULFATE ION, ...
著者Shi, W, Ting, L.M, Kicska, G.A, Lewandowicz, A, Tyler, P.C, Evans, G.B, Furneaux, R.H, Kim, K, Almo, S.C, Schramm, V.L.
登録日2003-02-05
公開日2004-03-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Plasmodium falciparum Purine Nucleoside Phosphorylase: CRYSTAL STRUCTURES, IMMUCILLIN INHIBITORS, AND DUAL CATALYTIC FUNCTION.
J.Biol.Chem., 279, 2004
9FFP
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BU of 9ffp by Molmil
Cryo-EM structure of the alpha1beta3 GABA(A) receptor in complex with GABA and Mb25 in the short-lived asymmetric open state of branch 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, Gamma-aminobutyric acid receptor subunit alpha-1, ...
著者Mihaylov, D.B, Malinauskas, T, Aricescu, A.R.
登録日2024-05-23
公開日2025-06-04
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM structure of the alpha1beta3 GABA(A) receptor in complex with GABA and Mb25 in the short-lived asymmetric open state of branch 1
To Be Published
5ULG
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BU of 5ulg by Molmil
Crystal structure of RPE65 in complex with MB-008 and palmitate
分子名称: (3S)-3-({3-[(1R)-3-amino-1-hydroxypropyl]phenoxy}methyl)hexan-1-ol, FE (II) ION, PALMITIC ACID, ...
著者Kiser, P.D, Palczewski, K.
登録日2017-01-24
公開日2017-05-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Rational Tuning of Visual Cycle Modulator Pharmacodynamics.
J. Pharmacol. Exp. Ther., 362, 2017
8E59
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BU of 8e59 by Molmil
Human L-type voltage-gated calcium channel Cav1.3 in the presence of Amiodarone at 3.1 Angstrom resolution
分子名称: (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gao, S, Yao, X, Yan, N.
登録日2022-08-20
公開日2022-12-07
最終更新日2025-05-21
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
9FFQ
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BU of 9ffq by Molmil
Cryo-EM structure of the alpha1beta3 GABA(A) receptor in complex with GABA and Mb25 in the short-lived asymmetric desensitised state of branch 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GAMMA-AMINO-BUTANOIC ACID, ...
著者Mihaylov, D.B, Malinauskas, T, Aricescu, A.R.
登録日2024-05-23
公開日2025-06-04
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM structure of the alpha1beta3 GABA(A) receptor in complex with GABA and Mb25 in the short-lived asymmetric desensitised state of branch 1
To Be Published
6SHN
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BU of 6shn by Molmil
Escherichia coli AGPase in complex with FBP. Symmetry C1
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, Glucose-1-phosphate adenylyltransferase
著者Cifuente, J.O, Comino, N, D'Angelo, C, Marina, A, Gil-Carton, D, Albesa-Jove, D, Guerin, M.E.
登録日2019-08-07
公開日2020-02-05
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献The allosteric control mechanism of bacterial glycogen biosynthesis disclosed by cryoEM.
Curr Res Struct Biol, 2, 2020
8E57
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BU of 8e57 by Molmil
Rabbit L-type voltage-gated calcium channel Cav1.1 in the presence of Amiodarone and 100 microM MNI-1 at 2.8 Angstrom resolution
分子名称: (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gao, S, Yao, X, Yan, N.
登録日2022-08-20
公開日2022-12-07
最終更新日2025-05-28
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
6GAP
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BU of 6gap by Molmil
Crystal structure of the T3D reovirus sigma1 coiled coil tail and body
分子名称: Outer capsid protein sigma-1
著者Dietrich, M.H, Stehle, T.
登録日2018-04-11
公開日2018-04-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural and Functional Features of the Reovirus sigma 1 Tail.
J. Virol., 92, 2018
9FFN
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BU of 9ffn by Molmil
Cryo-EM structure of the alpha1beta3 GABA(A) receptor in complex with GABA and Mb25 in the short-lived asymmetric bound-closed 1 state of branch 1
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Mihaylov, D.B, Malinauskas, T, Aricescu, A.R.
登録日2024-05-23
公開日2025-06-04
最終更新日2025-08-06
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM structure of the alpha1beta3 GABA(A) receptor in complex with GABA and Mb25 in the short-lived asymmetric pre-active 1 state of branch 1
To Be Published
8E56
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BU of 8e56 by Molmil
Rabbit L-type voltage-gated calcium channel Cav1.1 in the presence of Amiodarone at 2.8 Angstrom resolution
分子名称: (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gao, S, Yao, X, Yan, N.
登録日2022-08-20
公開日2022-12-07
最終更新日2025-05-21
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
8SW3
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BU of 8sw3 by Molmil
BG505 GT1.1 SOSIP in complex with NHP Fabs 12C11 and RM20A3
分子名称: 12C11 heavy chain variable region, 12C11 light chain variable region, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, S, Torres, J.L, Ozorowski, G, Ward, A.B.
登録日2023-05-17
公開日2024-09-11
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Germline-targeting HIV vaccination induces neutralizing antibodies to the CD4 binding site.
Sci Immunol, 9, 2024
9CKV
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BU of 9ckv by Molmil
Cryo-EM structure of alpha5beta1 integrin in complex with NeoNectin
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, CALCIUM ION, ...
著者Werther, R, Nguyen, A, Estrada Alamo, K.A, Wang, X, Campbell, M.G.
登録日2024-07-09
公開日2024-07-17
最終更新日2025-09-10
実験手法ELECTRON MICROSCOPY (3.19 Å)
主引用文献De Novo Design of Integrin alpha 5 beta 1 Modulating Proteins to Enhance Biomaterial Properties.
Adv Mater, 37, 2025
8E58
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BU of 8e58 by Molmil
Rabbit L-type voltage-gated calcium channel Cav1.1 in the presence of Amiodarone and 1 mM MNI-1 at 3.0 Angstrom resolution
分子名称: (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gao, S, Yao, X, Yan, N.
登録日2022-08-20
公開日2022-12-07
最終更新日2025-05-28
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
5P90
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BU of 5p90 by Molmil
humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[(E)-5-pyrrolo[3,2-c]pyridin-1-ylpent-3-enyl]benzamide at 1.24A
分子名称: (4S,5S)-1,2-DITHIANE-4,5-DIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-(4-fluorophenyl)-2,3-dihydroxy-N-[(E)-5-pyrrolo[3,2-c]pyridin-1-ylpent-3-enyl]benzamide, ...
著者Ehler, A, Lerner, C, Rudolph, M.G.
登録日2016-08-29
公開日2017-08-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Crystal Structure of a COMT complex
To be published
5KJ2
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BU of 5kj2 by Molmil
The novel p300/CBP inhibitor A-485 uncovers a unique mechanism of action to target AR in castrate resistant prostate cancer
分子名称: Histone acetyltransferase p300, N-[(4-fluorophenyl)methyl]-2-{(1R)-5-[(methylcarbamoyl)amino]-2',4'-dioxo-2,3-dihydro-3'H-spiro[indene-1,5'-[1,3]oxazolidin]-3'-yl}-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide, SODIUM ION
著者Jakob, C.G, Qiu, W, Edalji, R.P, Sun, C.
登録日2016-06-17
公開日2017-09-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of a selective catalytic p300/CBP inhibitor that targets lineage-specific tumours.
Nature, 550, 2017
7SH2
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BU of 7sh2 by Molmil
Structure of the yeast Rad24-RFC loader bound to DNA and the open 9-1-1 clamp
分子名称: ADENOSINE-5'-DIPHOSPHATE, Checkpoint protein RAD24, Crick strand, ...
著者Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H.
登録日2021-10-07
公開日2022-03-23
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (3.23 Å)
主引用文献DNA is loaded through the 9-1-1 DNA checkpoint clamp in the opposite direction of the PCNA clamp.
Nat.Struct.Mol.Biol., 29, 2022
6AQS
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BU of 6aqs by Molmil
Crystal structure of Plasmodium falciparum purine nucleoside phosphorylase (V181D) mutant complexed with DADMe-ImmG and phosphate
分子名称: 1,2-ETHANEDIOL, 2-amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, PHOSPHATE ION, ...
著者Harijan, R.K, Ducati, R.G, Namanja-Magliano, H.A, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2017-08-21
公開日2018-02-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Genetic resistance to purine nucleoside phosphorylase inhibition in
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7AYN
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BU of 7ayn by Molmil
Crystal structure of the lectin domain of the FimH variant Arg98Ala, in complex with Methyl 3-chloro-4-D-mannopyranosyloxy-3-biphenylcarboxylate
分子名称: 1,2-ETHANEDIOL, Type 1 fimbrin D-mannose specific adhesin, methyl 3-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]benzoate
著者Jakob, R.P, Tomasic, T, Rabbani, S, Reisner, A, Jakopin, Z, Maier, T, Ernst, B, Anderluh, M.
登録日2020-11-12
公開日2020-12-23
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Does targeting Arg98 of FimH lead to high affinity antagonists?
Eur.J.Med.Chem., 211, 2020
7SGZ
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BU of 7sgz by Molmil
Structure of the yeast Rad24-RFC loader bound to DNA and the closed 9-1-1 clamp
分子名称: ADENOSINE-5'-DIPHOSPHATE, Checkpoint protein RAD24, Crick strand, ...
著者Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H.
登録日2021-10-07
公開日2022-03-23
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (3.17 Å)
主引用文献DNA is loaded through the 9-1-1 DNA checkpoint clamp in the opposite direction of the PCNA clamp.
Nat.Struct.Mol.Biol., 29, 2022

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