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4WJ1
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BU of 4wj1 by Molmil
Crystal structure of EspB from the ESX-1 type VII secretion system
分子名称: Antigen MTB48, Mycobacterial protein
著者Solomonson, M, Strynadka, N.C.J.
登録日2014-09-29
公開日2015-02-25
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.415 Å)
主引用文献Structure of EspB from the ESX-1 type VII secretion system and insights into its export mechanism.
Structure, 23, 2015
6WX1
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BU of 6wx1 by Molmil
Antigen Binding Fragment of OKT9
分子名称: GLYCEROL, OKT9 Fab Heavy Chain, OKT9 Fab Light Chain
著者Rodriguez, J.A, Helguera, G, Sawaya, M, Cascio, D, Collazo, M, Flores, M, Zink, S, Ferrero, S, Payes, C, Fuentes, D, Short, C.
登録日2020-05-09
公開日2021-05-26
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Antibody-Based Inhibition of Pathogenic New World Hemorrhagic Fever Mammarenaviruses by Steric Occlusion of the Human Transferrin Receptor 1 Apical Domain.
J.Virol., 95, 2021
4X3A
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BU of 4x3a by Molmil
gallus interleukin-1 beta mutant - R140A
分子名称: IL-1 beta
著者Yin, H.S, Cheng, W.T.
登録日2014-11-28
公開日2015-12-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献gallus interleukin-1 beta mutant - R140A
To Be Published
4X6O
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BU of 4x6o by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl (4-{4-chloro-2-[(1S)-1-({3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]propanoyl}amino)-2-phenylethyl]-1H-imidazol-5-yl}phenyl)carbamate
分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, light chain, ...
著者Wei, A.
登録日2014-12-08
公開日2015-02-18
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties.
Bioorg.Med.Chem.Lett., 25, 2015
4WL4
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BU of 4wl4 by Molmil
Crystal structure of human carbonic anhydrase II in complex with the 6-hydroxy-chromene-2-thione inhibitor
分子名称: 1,2-ETHANEDIOL, 6-hydroxy-2H-chromene-2-thione, Carbonic anhydrase 2, ...
著者Ferraroni, M.
登録日2014-10-06
公開日2015-10-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献New classes of carbonic anhydrase inhibitors
to be published
4WUA
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BU of 4wua by Molmil
Crystal structure of human SRPK1 complexed to an inhibitor SRPIN340
分子名称: CITRIC ACID, N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]-4-pyridinecarboxamide, SRSF protein kinase 1, ...
著者Hoshina, M, Ikura, T, Hosoya, T, Hagiwara, M, Ito, N.
登録日2014-10-31
公開日2015-09-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of a Dual Inhibitor of SRPK1 and CK2 That Attenuates Pathological Angiogenesis of Macular Degeneration in Mice
Mol.Pharmacol., 88, 2015
4X0Y
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BU of 4x0y by Molmil
JC polyomavirus VP1 from a genotype 3 strain
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Major capsid protein, ...
著者Stroh, L.J, Stehle, T.
登録日2014-11-24
公開日2015-04-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Greater Affinity of JC Polyomavirus Capsid for alpha 2,6-Linked Lactoseries Tetrasaccharide c than for Other Sialylated Glycans Is a Major Determinant of Infectivity.
J.Virol., 89, 2015
4WVO
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BU of 4wvo by Molmil
An engineered PYR1 mandipropamid receptor in complex with mandipropamid and HAB1
分子名称: (2S)-2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)ethanamide, Abscisic acid receptor PYR1, MAGNESIUM ION, ...
著者Peterson, F.C, Volkman, B.F, Cutler, S.R.
登録日2014-11-06
公開日2015-02-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.251 Å)
主引用文献Agrochemical control of plant water use using engineered abscisic acid receptors.
Nature, 520, 2015
4W1V
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BU of 4w1v by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a thiazole inhibitor
分子名称: 1,2-ETHANEDIOL, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, CHLORIDE ION, ...
著者Finzel, B.C, Dai, R.
登録日2014-08-13
公開日2015-02-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Target-Based Identification of Whole-Cell Active Inhibitors of Biotin Biosynthesis in Mycobacterium tuberculosis.
Chem.Biol., 22, 2015
4X37
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Gallus interleukin-1 mutant - E118K
分子名称: IL-1 beta
著者Yin, H.S, Cheng, W.T, Cheng, T.
登録日2014-11-28
公開日2015-12-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Gallus interleukin-1 mutant - E118K
To Be Published
4X11
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BU of 4x11 by Molmil
JC Polyomavirus genotype 3 VP1 in complex with GD1a oligosaccharide
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Major capsid protein, ...
著者Stroh, L.J, Stehle, T.
登録日2014-11-24
公開日2015-05-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Greater Affinity of JC Polyomavirus Capsid for alpha 2,6-Linked Lactoseries Tetrasaccharide c than for Other Sialylated Glycans Is a Major Determinant of Infectivity.
J.Virol., 89, 2015
4X5C
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BU of 4x5c by Molmil
Anthranilate phosphoribosyltransferase variant R193L from Mycobacterium tuberculosis with pyrophosphate/PRPP and Mg2+ bound
分子名称: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, Anthranilate phosphoribosyltransferase, MAGNESIUM ION, ...
著者Cookson, T.V.M, Parker, E.J, Lott, J.S.
登録日2014-12-05
公開日2015-11-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Structures of Mycobacterium tuberculosis Anthranilate Phosphoribosyltransferase Variants Reveal the Conformational Changes That Facilitate Delivery of the Substrate to the Active Site.
Biochemistry, 54, 2015
4X39
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BU of 4x39 by Molmil
Gallus interleukin-1 beta mutant - T117A
分子名称: IL-1 beta
著者Yin, H.S, Cheng, W.T.
登録日2014-11-28
公開日2015-12-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Gallus interleukin-1 beta mutant - T117A
To Be Published
4X5B
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BU of 4x5b by Molmil
Anthranilate phosphoribosyltransferase variant R193L from Mycobacterium tuberculosis in complex with PRPP and Mg
分子名称: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, Anthranilate phosphoribosyltransferase, MAGNESIUM ION
著者Cookson, T.V.M, Parker, E.J, Lott, J.S.
登録日2014-12-05
公開日2015-11-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Structures of Mycobacterium tuberculosis Anthranilate Phosphoribosyltransferase Variants Reveal the Conformational Changes That Facilitate Delivery of the Substrate to the Active Site.
Biochemistry, 54, 2015
4X38
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BU of 4x38 by Molmil
Gallus interleukin-1 beta mutant - E118A
分子名称: IL-1 beta
著者Yin, H.S, Cheng, W.T.
登録日2014-11-28
公開日2015-12-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Gallus interleukin-1 beta mutant - E118A
To Be Published
4XC1
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BU of 4xc1 by Molmil
Crystal structure of human 4E10 Fab in complex with its peptide epitope on HIV-1 GP41: crystals cryoprotected with sn-Glycerol 3-phosphate
分子名称: 4E10 FAB HEAVY CHAIN, 4E10 FAB LIGHT CHAIN, CYCLOHEXYLAMMONIUM ION, ...
著者Irimia, A, Stanfield, R.L, Wilson, I.A.
登録日2014-12-17
公開日2016-02-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Crystallographic Identification of Lipid as an Integral Component of the Epitope of HIV Broadly Neutralizing Antibody 4E10.
Immunity, 44, 2016
4XCP
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BU of 4xcp by Molmil
Fatty Acid and Retinol binding protein Na-FAR-1 from Necator americanus
分子名称: Nematode fatty acid retinoid binding protein, PALMITIC ACID
著者Gabrielsen, M, Rey-Burusco, M.F, Ibanez-Shimabukuro, M, Griffiths, K, Kennedy, M.W, Corsico, B, Smith, B.O.
登録日2014-12-18
公開日2015-09-16
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Diversity in the structures and ligand-binding sites of nematode fatty acid and retinol-binding proteins revealed by Na-FAR-1 from Necator americanus.
Biochem.J., 471, 2015
4XBJ
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BU of 4xbj by Molmil
Y274F alanine racemase from E. coli inhibited by l-ala-p
分子名称: Alanine racemase, biosynthetic, SULFATE ION, ...
著者Squire, C.J, Yosaatmadja, Y, Patrick, W.M.
登録日2014-12-17
公開日2015-12-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Mechanistic and Evolutionary Insights from the Reciprocal Promiscuity of Two Pyridoxal Phosphate-dependent Enzymes.
J.Biol.Chem., 291, 2016
4XEU
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BU of 4xeu by Molmil
Crystal structure of a transketolase from Pseudomonas aeruginosa
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Transketolase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2014-12-24
公開日2015-01-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of a transketolase from Pseudomonas aeruginosa
To Be Published
4XDL
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BU of 4xdl by Molmil
Crystal structure of human two pore domain potassium ion channel TREK2 (K2P10.1) in complex with a brominated fluoxetine derivative.
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-[2-bromanyl-4-(trifluoromethyl)phenoxy]-N-methyl-3-phenyl-propan-1-amine, CADMIUM ION, ...
著者Mackenzie, A, Pike, A.C.W, Dong, Y.Y, Mukhopadhyay, S, Ruda, G.F, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2014-12-19
公開日2015-03-18
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献K2P channel gating mechanisms revealed by structures of TREK-2 and a complex with Prozac.
Science, 347, 2015
6VU1
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Cap3G-TAR-F1 is an RNA hairpin. The 1H-1H NOESY data was collected at 308 K in 10 mM KH2PO4 pH 7.4.
分子名称: RNA (34-MER)
著者Summers, M.F, Brown, J.D.
登録日2020-02-14
公開日2020-04-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural basis for transcriptional start site control of HIV-1 RNA fate.
Science, 368, 2020
5LIG
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BU of 5lig by Molmil
G-Quadruplex formed at the 5'-end of NHEIII_1 Element in human c-MYC promoter bound to triangulenium based fluorescence probe DAOTA-M2
分子名称: 8,12-bis(2-morpholinoethyl)-8H-benzo[ij]xantheno[1,9,8-cdef][2,7]naphthyridin-12-iumhexafluorophosphate, DNA (5'-D(*TP*AP*GP*GP*GP*AP*GP*GP*GP*TP*AP*GP*GP*GP*AP*GP*GP*GP*T)-3')
著者Kotar, A, Wang, B, Shivalingam, A, Gonzalez-Garcia, J, Vilar, R, Plavec, J.
登録日2016-07-14
公開日2016-09-14
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR Structure of a Triangulenium-Based Long-Lived Fluorescence Probe Bound to a G-Quadruplex.
Angew.Chem.Int.Ed.Engl., 55, 2016
4W9E
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BU of 4w9e by Molmil
pVHL:EloB:EloC in complex with (2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(thiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 4)
分子名称: (4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ...
著者Gadd, M.S, Soares, P, Galdeano, C, van Molle, I, Ciulli, A.
登録日2014-08-27
公開日2014-09-10
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
4W9F
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pVHL:EloB:EloC in complex with (2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 5)
分子名称: (4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ...
著者van Molle, I, Hewitt, S, Galdeano, C, Gadd, M.S, Ciulli, A.
登録日2014-08-27
公開日2014-09-10
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
4WBP
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Crystal structure of the HR-1 domain of human caprin-1 in the P3121 space group
分子名称: Caprin-1
著者Wu, Y, Zhu, J, Huang, X, Du, Z.
登録日2014-09-03
公開日2015-10-21
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of the HR-1 domain of human caprin-1 in the P3121 space group
To be published

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件を2025-10-22に公開中

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