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6KG6
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BU of 6kg6 by Molmil
Crystal structure of MavC/UBE2N-Ub complex
分子名称: MavC, Ubiquitin-40S ribosomal protein S27a, Ubiquitin-conjugating enzyme E2 N
著者Wang, Y, Huang, Y, Chang, M, Feng, Y.
登録日2019-07-10
公開日2020-04-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structural insights into the mechanism and inhibition of transglutaminase-induced ubiquitination by the Legionella effector MavC.
Nat Commun, 11, 2020
5N13
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BU of 5n13 by Molmil
Second Bromodomain (BD2) from Candida albicans Bdf1 in the unbound form
分子名称: Bromodomain-containing factor 1, GLYCEROL
著者Mietton, F, Ferri, E, Champlebouxm, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvel, M, d'Enfert, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C.
登録日2017-02-04
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Selective BET bromodomain inhibition as an antifungal therapeutic strategy.
Nat Commun, 8, 2017
5N17
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BU of 5n17 by Molmil
First Bromodomain (BD1) from Candida albicans Bdf1 bound to a dibenzothiazepinone (compound 3)
分子名称: (2~{S})-~{N}-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)oxolane-2-carboxamide, Bromodomain-containing factor 1, SULFATE ION
著者Mietton, F, Ferri, E, Champleboux, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvon, M, d'Enfer, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C.
登録日2017-02-05
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Selective BET bromodomain inhibition as an antifungal therapeutic strategy.
Nat Commun, 8, 2017
6GL8
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BU of 6gl8 by Molmil
Crystal structure of Bcl-2 in complex with the novel orally active inhibitor S55746
分子名称: Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2, ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide
著者Casara, P, Davidson, J, Claperon, A, Le Toumelin-Braizat, G, Vogler, M, Bruno, A, Chanrion, M, Lysiak-Auvity, G, Le Diguarher, T, Starck, J.B, Chen, I, Whitehead, N, Graham, C, Matassova, N, Dokurno, P, Pedder, C, Wang, Y, Qiu, S, Girard, A.M, Schneider, E, Grave, F, Studeny, A, Guasconi, G, Rocchetti, F, Maiga, S, Henlin, J.M, Colland, F, Kraus-Berthier, L, Le Gouill, S, Dyer, M.J.S, Hubbard, R, Wood, M, Amiot, M, Cohen, G.M, Hickman, J.A, Morris, E, Murray, J, Geneste, O.
登録日2018-05-23
公開日2018-11-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献S55746 is a novel orally active BCL-2 selective and potent inhibitor that impairs hematological tumor growth.
Oncotarget, 9, 2018
5N18
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BU of 5n18 by Molmil
Second Bromodomain (BD2) from Candida albicans Bdf1 bound to an imidazopyridine (compound 2)
分子名称: 4-[8-methyl-3-[(4-methylphenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenol, Bromodomain-containing factor 1, GLYCEROL
著者Mietton, F, Ferri, E, Champleboux, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvel, M, d'Enfert, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C.
登録日2017-02-05
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Selective BET bromodomain inhibition as an antifungal therapeutic strategy.
Nat Commun, 8, 2017
5N15
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BU of 5n15 by Molmil
First Bromodomain (BD1) from Candida albicans Bdf1 in the unbound form
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bromodomain-containing factor 1, GLYCEROL, ...
著者Mietton, F, Ferri, E, Champleboux, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvel, M, d'Enfert, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C.
登録日2017-02-05
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Selective BET bromodomain inhibition as an antifungal therapeutic strategy.
Nat Commun, 8, 2017
8PKL
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BU of 8pkl by Molmil
Escherichia coli paused disome complex (leading 70S non-rotated closed PRE state)
分子名称: 1,4-DIAMINOBUTANE, 16S ribosomal RNA, 23S ribosomal RNA, ...
著者Fluegel, T, Schacherl, M.
登録日2023-06-26
公開日2024-03-06
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.09 Å)
主引用文献Transient disome complex formation in native polysomes during ongoing protein synthesis captured by cryo-EM.
Nat Commun, 15, 2024
7MDH
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BU of 7mdh by Molmil
STRUCTURAL BASIS FOR LIGHT ACITVATION OF A CHLOROPLAST ENZYME. THE STRUCTURE OF SORGHUM NADP-MALATE DEHYDROGENASE IN ITS OXIDIZED FORM
分子名称: PROTEIN (MALATE DEHYDROGENASE), ZINC ION
著者Johansson, K, Ramaswamy, S, Saarinen, M, Lemaire-Chamley, M, Issakidis-Bourguet, E, Miginiac-Maslow, M, Eklund, H.
登録日1999-02-16
公開日1999-06-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for light activation of a chloroplast enzyme: the structure of sorghum NADP-malate dehydrogenase in its oxidized form.
Biochemistry, 38, 1999
7MDN
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BU of 7mdn by Molmil
Histone-lysine N-methyltransferase NSD2-PWWP1 with compound MRT10241866a
分子名称: Histone-lysine N-methyltransferase NSD2, UNKNOWN ATOM OR ION, ~{N}-cyclopropyl-3-oxidanylidene-~{N}-(thiophen-2-ylmethyl)-4~{H}-1,4-benzoxazine-7-carboxamide
著者Lei, M, Freitas, R.F, Dong, A, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2021-04-05
公開日2021-05-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献A chemical probe targeting the PWWP domain alters NSD2 nucleolar localization.
Nat.Chem.Biol., 18, 2022
8PEG
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BU of 8peg by Molmil
Escherichia coli paused disome complex (queueing 70S non-rotated closed PRE state)
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S1, ...
著者Fluegel, T, Schacherl, M.
登録日2023-06-13
公開日2024-03-06
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Transient disome complex formation in native polysomes during ongoing protein synthesis captured by cryo-EM.
Nat Commun, 15, 2024
5ULC
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BU of 5ulc by Molmil
PLASMODIUM FALCIPARUM BROMODOMAIN-CONTAINING PROTEIN PF10_0328
分子名称: Bromodomain protein 1
著者Wernimont, A.K, Amaya, M.F, Lam, A, Ali, A, Zhang, A.Z, Kenzina, L, Lin, Y.H, MacKenzie, F, Kozieradzki, I, Cossar, D, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Weigelt, J, Hui, R, Walker, J.R, Qiu, W, Brand, V, Structural Genomics Consortium (SGC)
登録日2017-01-24
公開日2017-02-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献PLASMODIUM FALCIPARUM BROMODOMAIN-CONTAINING PROTEIN PF10_0328
To be published
6G2H
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BU of 6g2h by Molmil
Filament of acetyl-CoA carboxylase and BRCT domains of BRCA1 (ACC-BRCT) core at 4.6 A resolution
分子名称: Acetyl-CoA carboxylase 1
著者Hunkeler, M, Hagmann, A, Stuttfeld, E, Chami, M, Stahlberg, H, Maier, T.
登録日2018-03-23
公開日2018-06-13
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Structural basis for regulation of human acetyl-CoA carboxylase.
Nature, 558, 2018
7WQY
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BU of 7wqy by Molmil
Crystal structure of grass carp ARF1-GDP complex
分子名称: ARF1, GUANOSINE-5'-DIPHOSPHATE
著者Ouyang, S, Chang, M, Li, P.
登録日2022-01-26
公開日2023-03-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of grass carp ARF1
To Be Published
5EAP
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BU of 5eap by Molmil
Crystal structure of human WDR5 in complex with compound 9e
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
著者DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
登録日2015-10-16
公開日2015-11-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1).
J. Med. Chem., 59, 2016
6G2I
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BU of 6g2i by Molmil
Filament of acetyl-CoA carboxylase and BRCT domains of BRCA1 (ACC-BRCT) at 5.9 A resolution
分子名称: Acetyl-CoA carboxylase 1, Breast cancer type 1 susceptibility protein
著者Hunkeler, M, Hagmann, A, Stuttfeld, E, Chami, M, Stahlberg, H, Maier, T.
登録日2018-03-23
公開日2018-06-13
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (5.9 Å)
主引用文献Structural basis for regulation of human acetyl-CoA carboxylase.
Nature, 558, 2018
5EAR
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BU of 5ear by Molmil
Crystal structure of human WDR5 in complex with compound 9d
分子名称: 1,2-ETHANEDIOL, N-[5-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide, SULFATE ION, ...
著者DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
登録日2015-10-16
公開日2015-11-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1).
J. Med. Chem., 59, 2016
6Y21
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BU of 6y21 by Molmil
Crystal structure of delta466-491 cystathionine beta-synthase from Toxoplasma gondii with L-Cystathionine
分子名称: 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, Cystathionine beta-synthase
著者Fernandez-Rodriguez, C, Oyenarte, I, Conter, C, Gonzalez-Recio, I, Quintana, I, Martinez-Chantar, M, Astegno, A, Martinez-Cruz, L.A.
登録日2020-02-14
公開日2021-02-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Cystathionine Beta-synthase from Toxoplasma gondii with PLP-Cystathionine
To Be Published
6G2D
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Citrate-induced acetyl-CoA carboxylase (ACC-Cit) filament at 5.4 A resolution
分子名称: Acetyl-CoA carboxylase 1
著者Hunkeler, M, Hagmann, A, Stuttfeld, E, Chami, M, Stahlberg, H, Maier, T.
登録日2018-03-23
公開日2018-06-13
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (5.4 Å)
主引用文献Structural basis for regulation of human acetyl-CoA carboxylase.
Nature, 558, 2018
5EAL
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BU of 5eal by Molmil
Crystal structure of human WDR5 in complex with compound 9h
分子名称: 1,2-ETHANEDIOL, 3-methyl-~{N}-[2-(4-methylpiperazin-1-yl)-5-quinolin-3-yl-phenyl]benzamide, CHLORIDE ION, ...
著者DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
登録日2015-10-16
公開日2015-11-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of human WDR5 in complex with compound 9h
to be published
6TY3
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BU of 6ty3 by Molmil
FAK structure from single particle analysis of 2D crystals
分子名称: Focal adhesion kinase 1
著者Acebron, I, Righetto, R, Biyani, N, Chami, M, Boskovic, J, Stahlberg, H, Lietha, D.
登録日2020-01-15
公開日2020-08-19
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (6.32 Å)
主引用文献Structural basis of Focal Adhesion Kinase activation on lipid membranes.
Embo J., 39, 2020
5EAM
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BU of 5eam by Molmil
Crystal structure of human WDR5 in complex with compound 9o
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, ...
著者DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
登録日2015-10-16
公開日2015-11-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1).
J. Med. Chem., 59, 2016
6TY4
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BU of 6ty4 by Molmil
FAK structure with AMP-PNP from single particle analysis of 2D crystals
分子名称: Focal adhesion kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Acebron, I, Righetto, R, Biyani, N, Chami, M, Boskovic, J, Stahlberg, H, Lietha, D.
登録日2020-01-15
公開日2020-08-19
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (5.96 Å)
主引用文献Structural basis of Focal Adhesion Kinase activation on lipid membranes.
Embo J., 39, 2020
7QB0
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BU of 7qb0 by Molmil
Solution structure of paxillin LIM2/3
分子名称: Isoform Alpha of Paxillin, ZINC ION
著者Prestel, A, Michaelis, M, Klishin, N, Moeller, H.M.
登録日2021-11-17
公開日2022-11-30
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献A flexible loop in the paxillin LIM3 domain mediates direct binding to integrin beta3
To Be Published
7N31
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Elongating 70S ribosome complex in a post-translocation (POST) conformation
分子名称: 1,4-DIAMINOBUTANE, 16S rRNA, 23S rRNA, ...
著者Rundlet, E.J, Holm, M, Schacherl, M, Natchiar, K.S, Altman, R.B, Spahn, C.M.T, Myasnikov, A.G, Blanchard, S.C.
登録日2021-05-31
公開日2021-07-14
最終更新日2021-08-11
実験手法ELECTRON MICROSCOPY (2.69 Å)
主引用文献Structural basis of early translocation events on the ribosome.
Nature, 595, 2021
7N2U
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Elongating 70S ribosome complex in a hybrid-H1 pre-translocation (PRE-H1) conformation
分子名称: 1,4-DIAMINOBUTANE, 16S rRNA, 23S rRNA, ...
著者Rundlet, E.J, Holm, M, Schacherl, M, Natchiar, K.S, Altman, R.B, Spahn, C.M.T, Myasnikov, A.G, Blanchard, S.C.
登録日2021-05-29
公開日2021-07-14
最終更新日2021-08-11
実験手法ELECTRON MICROSCOPY (2.53 Å)
主引用文献Structural basis of early translocation events on the ribosome.
Nature, 595, 2021

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