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8ZJL
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BU of 8zjl by Molmil
Structure of DOCK5/ELMO1/Rac1 core (RhoG/DOCK5/ELMO1/Rac1 dataset, class 4)
分子名称: Dedicator of cytokinesis protein 5, Engulfment and cell motility protein 1, Ras-related C3 botulinum toxin substrate 1
著者Kukimoto-Niino, M, Katsura, K, Ishizuka-Katsura, Y, Mishima-Tsumagari, C, Yonemochi, M, Inoue, M, Nakagawa, R, Kaushik, R, Zhang, K.Y.J, Shirouzu, M.
登録日2024-05-15
公開日2024-06-26
実験手法ELECTRON MICROSCOPY (4.31 Å)
主引用文献RhoG facilitates a conformational transition in the guanine nucleotide exchange factor complex DOCK5/ELMO1 to an open state.
J.Biol.Chem., 2024
8ZJM
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BU of 8zjm by Molmil
Structure of DOCK5/ELMO1/Rac1 core (RhoG/DOCK5/ELMO1/Rac1 dataset, class 5)
分子名称: Dedicator of cytokinesis protein 5, Engulfment and cell motility protein 1, Ras-related C3 botulinum toxin substrate 1
著者Kukimoto-Niino, M, Katsura, K, Ishizuka-Katsura, Y, Mishima-Tsumagari, C, Yonemochi, M, Inoue, M, Nakagawa, R, Kaushik, R, Zhang, K.Y.J, Shirouzu, M.
登録日2024-05-15
公開日2024-06-26
実験手法ELECTRON MICROSCOPY (4.52 Å)
主引用文献RhoG facilitates a conformational transition in the guanine nucleotide exchange factor complex DOCK5/ELMO1 to an open state.
J.Biol.Chem., 2024
4WQA
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BU of 4wqa by Molmil
Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - tetrathionate co-crystallization
分子名称: 1,2-ETHANEDIOL, HEME C, IODIDE ION, ...
著者Brito, J.A, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M.
登録日2014-10-21
公開日2015-02-18
最終更新日2015-04-15
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Thiosulfate Dehydrogenase (TsdA) from Allochromatium vinosum: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO THIOSULFATE OXIDATION.
J.Biol.Chem., 290, 2015
6NFY
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BU of 6nfy by Molmil
Crystal structure of nonphosphorylated, HPK1 kinase domain in complex with sunitinib in the inactive state.
分子名称: Mitogen-activated protein kinase kinase kinase kinase 1, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide
著者Johnson, E, McTigue, M, Cronin, C.N.
登録日2018-12-21
公開日2019-05-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Multiple conformational states of the HPK1 kinase domain in complex with sunitinib reveal the structural changes accompanying HPK1 trans-regulation.
J.Biol.Chem., 294, 2019
8BWU
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BU of 8bwu by Molmil
Crystal structure of SARS-CoV-2 nsp14 methyltransferase domain in complex with the SS148 inhibitor
分子名称: (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Transcription factor ETV6,Proofreading exoribonuclease nsp14, ZINC ION
著者Konkolova, E, Klima, M, Boura, E, Jin, J, Kaniskan, H.U, Han, Y, Vedadi, M.
登録日2022-12-07
公開日2023-10-11
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Application of established computational techniques to identify potential SARS-CoV-2 Nsp14-MTase inhibitors in low data regimes
Digit Discov, 2024
4WQ8
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BU of 4wq8 by Molmil
Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - tetrathionate soak
分子名称: HEME C, IODIDE ION, SULFATE ION, ...
著者Brito, J.A, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M.
登録日2014-10-21
公開日2015-02-18
最終更新日2018-03-07
実験手法X-RAY DIFFRACTION (1.3989 Å)
主引用文献Thiosulfate Dehydrogenase (TsdA) from Allochromatium vinosum: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO THIOSULFATE OXIDATION.
J.Biol.Chem., 290, 2015
5WPB
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BU of 5wpb by Molmil
Crystal structure of fragment 3-(3-(pyridin-2-ylmethoxy)quinoxalin-2-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain
分子名称: 3-{3-[(pyridin-2-yl)methoxy]quinoxalin-2-yl}propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ...
著者Harding, R.J, Tempel, W, Ferreira de Freitas, R, Franzoni, I, Ravichandran, M, Lautens, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2017-08-04
公開日2017-08-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin.
J. Med. Chem., 60, 2017
4WQ9
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BU of 4wq9 by Molmil
Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - dithionite soak
分子名称: 1,2-ETHANEDIOL, HEME C, HYDROSULFURIC ACID, ...
著者Brito, J.A, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M.
登録日2014-10-21
公開日2015-02-18
最終更新日2021-09-08
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Thiosulfate Dehydrogenase (TsdA) from Allochromatium vinosum: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO THIOSULFATE OXIDATION.
J.Biol.Chem., 290, 2015
6NYC
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BU of 6nyc by Molmil
Munc13-1 C2B-domain, calcium free
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Munc13-1
著者Tomchick, D.R, Rizo, J, Machius, M, Lu, J.
登録日2019-02-11
公開日2019-02-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.893 Å)
主引用文献Munc13 C2B domain is an activity-dependent Ca2+ regulator of synaptic exocytosis.
Nat. Struct. Mol. Biol., 17, 2010
4WQC
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BU of 4wqc by Molmil
Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - K208N mutant
分子名称: 1,2-ETHANEDIOL, HEME C, SULFATE ION, ...
著者Brito, J.A, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M.
登録日2014-10-21
公開日2015-02-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Thiosulfate Dehydrogenase (TsdA) from Allochromatium vinosum: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO THIOSULFATE OXIDATION.
J.Biol.Chem., 290, 2015
6NZ2
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BU of 6nz2 by Molmil
NMR solution structure of Bcd1p120-303 from Saccharomyces cerevisiae
分子名称: Box C/D snoRNA protein 1
著者Bragantini, B, Quinternet, M, Charpentier, B, Manival, X.
登録日2019-02-12
公開日2020-08-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The box C/D snoRNP assembly factor Bcd1 interacts with the histone chaperone Rtt106 and controls its transcription dependent activity.
Nat Commun, 12, 2021
6OHK
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BU of 6ohk by Molmil
Crystal structure of Fusobacterium nucleatum flavodoxin mutant K13G bound to flavin mononucleotide
分子名称: FLAVIN MONONUCLEOTIDE, Flavodoxin, GLYCEROL
著者Kolesnikov, M, Murphy, M.E.P.
登録日2019-04-05
公開日2019-06-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural insight into the high reduction potentials observed for Fusobacterium nucleatum flavodoxin.
Protein Sci., 28, 2019
5W4K
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BU of 5w4k by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with Klebsazolicin and bound to mRNA and A-, P- and E-site tRNAs at 2.7A resolution
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
著者Metelev, M, Osterman, I.A, Ghilarov, D, Khabibullina, N.F, Yakimov, A, Shabalin, K, Utkina, I, Travin, D.Y, Komarova, E.S, Serebryakova, M, Artamonova, T, Khodorkovskii, M, Konevega, A.L, Sergiev, P.V, Severinov, K, Polikanov, Y.S.
登録日2017-06-12
公開日2017-08-30
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Klebsazolicin inhibits 70S ribosome by obstructing the peptide exit tunnel.
Nat. Chem. Biol., 13, 2017
4V5N
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BU of 4v5n by Molmil
tRNA translocation on the 70S ribosome: the post- translocational translocation intermediate TI(POST)
分子名称: 16S RRNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ...
著者Ratje, A.H, Loerke, J, Mikolajka, A, Bruenner, M, Hildebrand, P.W, Starosta, A.L, Doenhoefer, A, Connell, S.R, Fucini, P, Mielke, T, Whitford, P.C, Onuchic, J.N, Yu, Y, Sanbonmatsu, K.Y, Hartmann, R.K, Penczek, P.A, Wilson, D.N, Spahn, C.M.T.
登録日2010-10-21
公開日2014-07-09
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (7.6 Å)
主引用文献Head Swivel on the Ribosome Facilitates Translocation by Means of Intra-Subunit tRNA Hybrid Sites.
Nature, 468, 2010
4V82
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BU of 4v82 by Molmil
Crystal structure of cyanobacterial Photosystem II in complex with terbutryn
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Gabdulkhakov, A, Broser, M, Guskov, A, Kern, J, Glockner, C, Muh, F, Saenger, W, Zouni, A.
登録日2010-11-30
公開日2014-07-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis of cyanobacterial photosystem II Inhibition by the herbicide terbutryn
J.Biol.Chem., 286, 2011
7NQQ
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BU of 7nqq by Molmil
Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2
分子名称: 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]ethanamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
著者O'Reilly, M.
登録日2021-03-02
公開日2021-10-06
実験手法X-RAY DIFFRACTION (1.943 Å)
主引用文献Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J.Med.Chem., 64, 2021
7NB1
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BU of 7nb1 by Molmil
Crystal structure of human choline alpha in complex with an inhibitor
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-(6-aminopurin-9-yl)-~{N}-[4-(trifluoromethylsulfonyl)phenyl]cyclohexane-1-carboxamide, Choline kinase alpha
著者Casale, E, Fasolini, M.
登録日2021-01-25
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification of unprecedented ATP-competitive choline kinase inhibitors.
Bioorg.Med.Chem.Lett., 51, 2021
7NQW
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BU of 7nqw by Molmil
Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2
分子名称: 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]-3~{H}-isoindol-1-one, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
著者O'Reilly, M.
登録日2021-03-02
公開日2021-10-06
実験手法X-RAY DIFFRACTION (1.775 Å)
主引用文献Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J.Med.Chem., 64, 2021
7NB2
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BU of 7nb2 by Molmil
Crystal structure of human choline alpha in complex with an inhibitor
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-(6-azanyl-2-chloranyl-purin-9-yl)-~{N}-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide, Choline kinase alpha, ...
著者Casale, E, Fasolini, M.
登録日2021-01-25
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Identification of unprecedented ATP-competitive choline kinase inhibitors.
Bioorg.Med.Chem.Lett., 51, 2021
7NB3
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BU of 7nb3 by Molmil
Crystal structure of human choline alpha in complex with an inhibitor
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-(6-azanyl-2-pyridin-4-yl-purin-9-yl)-~{N}-(3-methoxyphenyl)cyclohexane-1-carboxamide, Choline kinase alpha, ...
著者Casale, E, Fasolini, M.
登録日2021-01-25
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of unprecedented ATP-competitive choline kinase inhibitors.
Bioorg.Med.Chem.Lett., 51, 2021
6OHL
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BU of 6ohl by Molmil
Crystal structure of Fusobacterium nucleatum flavodoxin bound to flavin mononucleotide
分子名称: FLAVIN MONONUCLEOTIDE, Flavodoxin, GLYCEROL, ...
著者Kolesnikov, M, Murphy, M.E.P.
登録日2019-04-05
公開日2019-06-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural insight into the high reduction potentials observed for Fusobacterium nucleatum flavodoxin.
Protein Sci., 28, 2019
4X64
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BU of 4x64 by Molmil
Crystal Structure of 30S ribosomal subunit from Thermus thermophilus
分子名称: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Demirci, H, Chen, J, Choi, J, Soltis, M, Puglisi, J.D.
登録日2014-12-06
公開日2015-11-18
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献N(6)-methyladenosine in mRNA disrupts tRNA selection and translation-elongation dynamics.
Nat.Struct.Mol.Biol., 23, 2016
4X3H
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BU of 4x3h by Molmil
CRYSTAL STRUCTURE OF ARC N-LOBE COMPLEXED WITH STARGAZIN PEPTIDE
分子名称: Activity-regulated cytoskeleton-associated protein, VOLTAGE-DEPENDENT CALCIUM CHANNEL GAMMA-2 SUBUNIT
著者zhang, W, ward, m, leahy, d, worley, p.
登録日2014-11-30
公開日2015-06-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Structural basis of arc binding to synaptic proteins: implications for cognitive disease.
Neuron, 86, 2015
4WZN
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BU of 4wzn by Molmil
CRYSTAL STRUCTURE OF THE 2B PROTEIN SOLUBLE DOMAIN FROM HEPATITIS A VIRUS
分子名称: GLYCEROL, Genome polyprotein
著者Garriga, D, Vives-Adrian, L, Buxaderas, M, Ferreira-da-Silva, F, Almeida, B, Macedo-Ribeiro, S, Pereira, P.J, Verdaguer, N.
登録日2014-11-20
公開日2015-01-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Basis for Host Membrane Remodeling Induced by Protein 2B of Hepatitis A Virus.
J.Virol., 89, 2015
4X3I
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BU of 4x3i by Molmil
The crystal structure of Arc N-lobe complexed with CAMK2A fragment
分子名称: Activity-regulated cytoskeleton-associated protein, CALCIUM/CALMODULIN-DEPENDENT PROTEIN KINASE TYPE II SUBUNIT ALPHA
著者Zhang, W, Ward, M, Leahy, D, Worley, P.
登録日2014-11-30
公開日2015-06-03
最終更新日2017-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis of arc binding to synaptic proteins: implications for cognitive disease.
Neuron, 86, 2015

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