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7SLY
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BU of 7sly by Molmil
Vanin-1 complexed with Compound 27
分子名称: (8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(1S)-1-(pyrazin-2-yl)ethyl]amino}pyrimidin-5-yl)methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, Pantetheinase, ...
著者Vajdos, F.F.
登録日2021-10-25
公開日2022-01-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Discovery of a Series of Pyrimidine Carboxamides as Inhibitors of Vanin-1.
J.Med.Chem., 65, 2022
7SLX
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BU of 7slx by Molmil
Vanin-1 complexed with Compound 11
分子名称: (3R)-1-(2-{[1-(pyrimidin-5-yl)cyclopropyl]amino}pyrimidine-5-carbonyl)piperidine-3-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, Pantetheinase, ...
著者Vajdos, F.F.
登録日2021-10-25
公開日2022-01-12
最終更新日2022-01-26
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery of a Series of Pyrimidine Carboxamides as Inhibitors of Vanin-1.
J.Med.Chem., 65, 2022
5HL3
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BU of 5hl3 by Molmil
Crystal structure of Listeria monocytogenes InlP
分子名称: CALCIUM ION, CHLORIDE ION, Lmo2470 protein
著者Nocadello, S, Light, S.H, Minasov, G, Kiryukhina, O, Kwon, K, Faralla, C, Bakardjiev, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-01-14
公開日2017-01-18
最終更新日2021-01-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Listeria monocytogenes InlP interacts with afadin and facilitates basement membrane crossing.
Plos Pathog., 14, 2018
3P23
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BU of 3p23 by Molmil
Crystal structure of the Human kinase and RNase domains in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, SULFATE ION, ...
著者Ali, M.M.U, Pearl, L.H.
登録日2010-10-01
公開日2011-02-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of the Ire1 autophosphorylation complex and implications for the unfolded protein response.
Embo J., 30, 2011
7Y1F
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BU of 7y1f by Molmil
Cryo-EM structure of human k-opioid receptor-Gi complex
分子名称: Dynorphin, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Chen, B.O, Xu, F.E.
登録日2022-06-08
公開日2023-05-24
最終更新日2023-06-21
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structure of human kappa-opioid receptor-Gi complex bound to an endogenous agonist dynorphin A.
Protein Cell, 14, 2023
7KEF
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BU of 7kef by Molmil
RNA polymerase II elongation complex with unnatural base dTPT3, rNaM in swing state
分子名称: (1S)-1,4-anhydro-1-(3-methoxynaphthalen-2-yl)-5-O-phosphono-D-ribitol, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ...
著者Oh, J, Wang, D.
登録日2020-10-10
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.89 Å)
主引用文献Transcriptional processing of an unnatural base pair by eukaryotic RNA polymerase II.
Nat.Chem.Biol., 17, 2021
7KED
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BU of 7ked by Molmil
RNA polymerase II elongation complex with unnatural base dTPT3
分子名称: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ...
著者Oh, J, Wang, W, Wang, D.
登録日2020-10-10
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Transcriptional processing of an unnatural base pair by eukaryotic RNA polymerase II.
Nat.Chem.Biol., 17, 2021
7KEE
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BU of 7kee by Molmil
RNA polymerase II elongation complex with unnatural base dTPT3, rNaMTP bound to E-site
分子名称: (1S)-1,4-anhydro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-1-(3-methoxynaphthalen-2-yl)-D-ribitol, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ...
著者Oh, J, Wang, D.
登録日2020-10-10
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献Transcriptional processing of an unnatural base pair by eukaryotic RNA polymerase II.
Nat.Chem.Biol., 17, 2021
6AP4
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BU of 6ap4 by Molmil
Crystal structure of the DNA polymerase III subunit beta from Acinetobacter baumannii
分子名称: DNA polymerase III subunit beta, MAGNESIUM ION
著者McGrath, A.E, Oakley, A.J.
登録日2017-08-16
公開日2017-12-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Crystal structures and biochemical characterization of DNA sliding clamps from three Gram-negative bacterial pathogens.
J. Struct. Biol., 204, 2018
7LQ7
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BU of 7lq7 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies CV503 and COVA1-16
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COVA1-16 heavy chain, COVA1-16 light chain, ...
著者Yuan, M, Zhu, X, Wilson, I.A.
登録日2021-02-13
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Bispecific antibodies targeting distinct regions of the spike protein potently neutralize SARS-CoV-2 variants of concern.
Sci Transl Med, 13, 2021
6AMS
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BU of 6ams by Molmil
Crystal structure of the DNA polymerase III subunit beta from Pseudomonas aeruginosa
分子名称: Beta sliding clamp, PHOSPHATE ION
著者McGrath, A.E, Oakley, A.J.
登録日2017-08-11
公開日2017-11-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Crystal structures and biochemical characterization of DNA sliding clamps from three Gram-negative bacterial pathogens.
J. Struct. Biol., 204, 2018
5DO4
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BU of 5do4 by Molmil
Thrombin-RNA aptamer complex
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Pallan, P.S, Egli, M.
登録日2015-09-10
公開日2016-09-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.859 Å)
主引用文献Evoking picomolar binding in RNA by a single phosphorodithioate linkage.
Nucleic Acids Res., 44, 2016
3C0R
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BU of 3c0r by Molmil
Structure of Ovarian Tumor (OTU) domain in complex with Ubiquitin
分子名称: 3-AMINOPROPANE, Ubiquitin, Ubiquitin thioesterase OTU1
著者Messick, T.E, Marmorstein, R.
登録日2008-01-21
公開日2008-02-19
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.315 Å)
主引用文献Structural basis for ubiquitin recognition by the Otu1 ovarian tumor domain protein
J.Biol.Chem., 283, 2008
5CX1
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BU of 5cx1 by Molmil
Nitrogenase molybdenum-iron protein beta-K400E mutant
分子名称: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, FE(8)-S(7) CLUSTER, ...
著者Owens, C.P, Luca, M.A, Tezcan, F.A.
登録日2015-07-28
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7476 Å)
主引用文献Evidence for Functionally Relevant Encounter Complexes in Nitrogenase Catalysis.
J.Am.Chem.Soc., 137, 2015
6AMQ
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BU of 6amq by Molmil
Crystal structure of the DNA polymerase III subunit beta from Enterobacter cloacae
分子名称: DNA polymerase III subunit beta, SULFATE ION
著者McGrath, A.E, Oakley, A.J.
登録日2017-08-11
公開日2017-11-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Crystal structures and biochemical characterization of DNA sliding clamps from three Gram-negative bacterial pathogens.
J. Struct. Biol., 204, 2018
3BY4
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BU of 3by4 by Molmil
Structure of Ovarian Tumor (OTU) domain in complex with Ubiquitin
分子名称: 3-AMINOPROPANE, Ubiquitin, Ubiquitin thioesterase OTU1
著者Messick, T.E, Marmorstein, R.
登録日2008-01-15
公開日2008-02-19
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural basis for ubiquitin recognition by the Otu1 ovarian tumor domain protein
J.Biol.Chem., 283, 2008
6SNJ
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BU of 6snj by Molmil
Solution structure of the FUS/TLS RNA recognition motif in complex with U1 snRNA stem loop III
分子名称: RNA-binding protein FUS, U1 snRNA stem loop III, RNA (28-MER)
著者Campagne, S, Allain, F.H.
登録日2019-08-26
公開日2020-10-28
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Aberrant interaction of FUS with the U1 snRNA provides a molecular mechanism of FUS induced amyotrophic lateral sclerosis.
Nat Commun, 11, 2020
8DMB
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BU of 8dmb by Molmil
Structure of Desulfovirgula thermocuniculi IsrB (DtIsrB) in complex with omega RNA and target DNA
分子名称: MAGNESIUM ION, Ubiquitin-like protein SMT3,IsrB protein,monomeric superfolder Green Fluorescent Protein, non-target DNA, ...
著者Seiichi, H, Kappel, K, Zhang, F.
登録日2022-07-08
公開日2022-10-19
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structure of the OMEGA nickase IsrB in complex with omega RNA and target DNA.
Nature, 610, 2022
4QIO
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BU of 4qio by Molmil
Lambda-[Ru(TAP)2(dppz)]2+ bound to d(TCGGCGCCIA) at high resolution
分子名称: 5'-D(*TP*CP*GP*GP*CP*GP*CP*CP*IP*A)-3', BARIUM ION, CHLORIDE ION, ...
著者Gurung, S.P, Hall, J.P, Cardin, C.J.
登録日2014-06-01
公開日2015-06-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Inosine Can Increase DNA's Susceptibility to Photo-oxidation by a Ru II Complex due to Structural Change in the Minor Groove.
Chemistry, 23, 2017
6HV0
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BU of 6hv0 by Molmil
IRE1 kinase/RNase in complex with imidazo[1,2-b]pyridazin-8-amine compound 33
分子名称: 6-chloranyl-3-(2~{H}-indazol-5-yl)-~{N}-propan-2-yl-imidazo[1,2-b]pyridazin-8-amine, Serine/threonine-protein kinase/endoribonuclease IRE1
著者Bayliss, R, Bhatia, C, Collins, I.
登録日2018-10-09
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Binding to an Unusual Inactive Kinase Conformation by Highly Selective Inhibitors of Inositol-Requiring Enzyme 1 alpha Kinase-Endoribonuclease.
J.Med.Chem., 62, 2019
4R8J
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BU of 4r8j by Molmil
d(TCGGCGCCGA) with lambda-[Ru(TAP)2(dppz)]2+ soaked in D2O
分子名称: BARIUM ION, CHLORIDE ION, DNA (5'-D(*(THM)P*CP*GP*GP*CP*GP*CP*CP*GP*A)-3'), ...
著者Hall, J.P, Gurung, S.P, Winter, G.W, Cardin, C.J.
登録日2014-09-02
公開日2015-10-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Monitoring one-electron photo-oxidation of guanine in DNA crystals using ultrafast infrared spectroscopy.
Nat Chem, 7, 2015
8EL7
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BU of 8el7 by Molmil
CryoEM structure of Resistance to Inhibitors of Cholinesterase-8B (Ric-8B) in complex with G alpha s
分子名称: Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, Isoform 1 of Synembryn-B
著者Papasergi-Scott, M.M, Skiniotis, G.
登録日2022-09-23
公開日2023-03-01
最終更新日2023-05-17
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structures of Ric-8B in complex with G alpha protein folding clients reveal isoform specificity mechanisms.
Structure, 31, 2023
4RIK
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BU of 4rik by Molmil
Amyloid forming segment, AVVTGVTAV, from the NAC domain of Parkinson's disease protein alpha-synuclein, residues 69-77
分子名称: Alpha-synuclein
著者Guenther, E.L, Sawaya, M.R, Ivanova, M, Eisenberg, D.S.
登録日2014-10-06
公開日2015-08-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.854 Å)
主引用文献Structure of the toxic core of alpha-synuclein from invisible crystals.
Nature, 525, 2015
4RIL
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BU of 4ril by Molmil
Structure of the amyloid forming segment, GAVVTGVTAVA, from the NAC domain of Parkinson's disease protein alpha-synuclein, residues 68-78, determined by electron diffraction
分子名称: Alpha-synuclein
著者Rodriguez, J.A, Ivanova, M, Sawaya, M.R, Cascio, D, Reyes, F, Shi, D, Johnson, L, Guenther, E, Sangwan, S, Hattne, J, Nannenga, B, Brewster, A.S, Messerschmidt, M, Boutet, S, Sauter, N.K, Gonen, T, Eisenberg, D.S.
登録日2014-10-06
公開日2015-08-26
最終更新日2023-09-20
実験手法ELECTRON CRYSTALLOGRAPHY (1.43 Å)
主引用文献Structure of the toxic core of alpha-synuclein from invisible crystals.
Nature, 525, 2015
6T6K
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BU of 6t6k by Molmil
Y201W mutant of the orange carotenoid protein from Synechocystis at pH 6.5
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCINE, ...
著者Sluchanko, N.N, Gushchin, I, Botnarevskiy, V.S, Slonimskiy, Y.B, Remeeva, A, Kovalev, K, Stepanov, A.V, Gordeliy, V, Maksimov, E.G.
登録日2019-10-18
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Role of hydrogen bond alternation and charge transfer states in photoactivation of the Orange Carotenoid Protein.
Commun Biol, 4, 2021

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