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8PZ7
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BU of 8pz7 by Molmil
crystal structure of VDR complex with D-Bishomo-1a,25-dihydroxyvitamin D3 Analog 57
分子名称: (1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{R},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,8,9,9~{a}-hexahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-2-methyl-cyclohexane-1,3-diol, Nuclear receptor coactivator 2, Vitamin D3 receptor A
著者Rochel, N.
登録日2023-07-27
公開日2023-08-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Design, synthesis, and biological activity of D-bishomo-1 alpha ,25-dihydroxyvitamin D 3 analogs and their crystal structures with the vitamin D nuclear receptor.
Eur.J.Med.Chem., 271, 2024
6Y6Q
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BU of 6y6q by Molmil
Structure of Andes virus envelope glycoprotein Gc in postfusion conformation
分子名称: Envelope polyprotein, SULFATE ION, alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Serris, A, Rey, F.A, Guardado-Calvo, P.
登録日2020-02-27
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The Hantavirus Surface Glycoprotein Lattice and Its Fusion Control Mechanism.
Cell, 183, 2020
4WVW
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BU of 4wvw by Molmil
Chicken Galectin-8 N-terminal domain complexed with 3'-sialyl-lactose
分子名称: DI(HYDROXYETHYL)ETHER, Galectin, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
著者Ruiz, F.M, Romero, A.
登録日2014-11-07
公開日2015-09-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Combining Crystallography and Hydrogen-Deuterium Exchange to Study Galectin-Ligand Complexes.
Chemistry, 21, 2015
8Q3F
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BU of 8q3f by Molmil
Structural studies of human serum albumin using cryo-EM up to 0.38 nm resolution
分子名称: Serum albumin
著者Slawek, J, Taube, M, Rawski, M, Wojciechowska, D, Kozak, M.
登録日2023-08-04
公開日2023-08-16
実験手法ELECTRON MICROSCOPY (3.77 Å)
主引用文献Structural studies of human serum albumin using cryo-EM up to 0.38 nm resolution
To Be Published
4WZL
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BU of 4wzl by Molmil
Crystal structure of P domain from norovirus strain Saga4 in complex with HBGA type Lea (triglycan)
分子名称: 1,2-ETHANEDIOL, ACETATE ION, VP1, ...
著者Singh, B.K, Hansman, G.S.
登録日2014-11-20
公開日2014-12-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Human noroviruses' fondness for histo-blood group antigens.
J.Virol., 89, 2015
8Q63
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BU of 8q63 by Molmil
Cryo-EM structure of IC8', a second state of yeast mitochondrial RNA polymerase transcription initiation complex with 8-mer RNA, pppGpGpUpApApApUpG
分子名称: DNA-directed RNA polymerase, mitochondrial, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Goovaerts, Q, Shen, J, Patel, S.S, Das, K.
登録日2023-08-10
公開日2023-08-30
最終更新日2023-11-01
実験手法ELECTRON MICROSCOPY (3.68 Å)
主引用文献Structures illustrate step-by-step mitochondrial transcription initiation.
Nature, 622, 2023
8PZ9
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BU of 8pz9 by Molmil
Crystal structure of VDR in complex with D-Bishomo-1a,25-dihydroxyvitamin D3 Analog 55
分子名称: (1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{R},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,8,9,9~{a}-hexahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 2, Vitamin D3 receptor A
著者Rochel, N.
登録日2023-07-27
公開日2023-08-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Design, synthesis, and biological activity of D-bishomo-1 alpha ,25-dihydroxyvitamin D 3 analogs and their crystal structures with the vitamin D nuclear receptor.
Eur.J.Med.Chem., 271, 2024
6PEL
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BU of 6pel by Molmil
Crystal structure of bovine opsin with citronellol bound
分子名称: (3R)-3,7-dimethyloct-6-en-1-ol, ILENLKDVGLF G alpha peptide CT2, PALMITIC ACID, ...
著者Eger, B.T, Morizumi, T, Ernst, O.P.
登録日2019-06-20
公開日2020-06-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.186 Å)
主引用文献Odorant-binding site in visual opsin
To Be Published
4X1Z
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BU of 4x1z by Molmil
Crystal structure of RHDVb P domain in complex with H type 2
分子名称: SODIUM ION, VP1, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose
著者Leuthold, M.M, Hansman, G.S.
登録日2014-11-25
公開日2015-01-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Structural analysis of a rabbit hemorrhagic disease virus binding to histo-blood group antigens.
J.Virol., 89, 2015
4WZK
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BU of 4wzk by Molmil
Crystal structure of P domain from norovirus strain Saga4 in complex with HBGA type H2 (triglycan)
分子名称: ACETATE ION, VP1, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose
著者Singh, B.K, Hansman, G.S.
登録日2014-11-20
公開日2014-12-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Human noroviruses' fondness for histo-blood group antigens.
J.Virol., 89, 2015
4WZT
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BU of 4wzt by Molmil
Crystal structure of P domain from norovirus strain NSW0514 in complex with HBGA type A (triglycan)
分子名称: 1,2-ETHANEDIOL, VP1, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]alpha-D-galactopyranose
著者Singh, B.K, Hansman, G.S.
登録日2014-11-20
公開日2014-12-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Human noroviruses' fondness for histo-blood group antigens.
J.Virol., 89, 2015
8Q1N
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BU of 8q1n by Molmil
Cyclic peptide binder of the WBM-site of WDR5
分子名称: Cyclic peptide inhibitor, WD repeat-containing protein 5
著者Schmeing, S, Chang, J.Y, t Hart, P, Gasper, R.
登録日2023-08-01
公開日2023-09-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.843 Å)
主引用文献Macrocyclic peptides as inhibitors of WDR5-lncRNA interactions.
Chem.Commun.(Camb.), 59, 2023
5I9Q
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BU of 5i9q by Molmil
Crystal structure of 3BNC55 Fab in complex with 426c.TM4deltaV1-3 gp120
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3BNC55 Fab heavy chain, ...
著者Scharf, L, Chen, C, Bjorkman, P.J.
登録日2016-02-20
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis for germline antibody recognition of HIV-1 immunogens.
Elife, 5, 2016
4X1X
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BU of 4x1x by Molmil
Crystal structure of RHDVb P domain in complex with Lewis Y
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, VP1, ...
著者Leuthold, M.M, Hansman, G.S.
登録日2014-11-25
公開日2015-01-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural analysis of a rabbit hemorrhagic disease virus binding to histo-blood group antigens.
J.Virol., 89, 2015
8PSE
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BU of 8pse by Molmil
(3+1) hybrid G-quadruplex from a G-rich sequence with five G-runs
分子名称: DNA (5'-D(*AP*GP*GP*GP*TP*AP*GP*GP*GP*CP*GP*GP*CP*GP*(BG)P*GP*TP*AP*CP*GP*GP*GP*T)-3')
著者Jana, J, Vianney, Y.M, Schroder, N, Weisz, K.
登録日2023-07-13
公開日2023-09-27
最終更新日2023-10-18
実験手法SOLUTION NMR
主引用文献Showcasing Different G-Quadruplex Folds of a G-Rich Sequence: Between Rule-Based Prediction and Butterfly Effect.
J.Am.Chem.Soc., 145, 2023
4X7R
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BU of 4x7r by Molmil
Crystal structure of S. aureus TarM G117R mutant in complex with Fondaparinux, alpha-GlcNAc-glycerol and UDP
分子名称: (2S)-2,3-dihydroxypropyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside, TarM, ...
著者Worrall, L.J, Sobhanifar, S, Strynadka, N.C.
登録日2014-12-09
公開日2015-02-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure and mechanism of Staphylococcus aureus TarM, the wall teichoic acid alpha-glycosyltransferase.
Proc.Natl.Acad.Sci.USA, 112, 2015
8PSI
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BU of 8psi by Molmil
G-quadruplex with a 1-nt V-shaped loop from a G-rich sequence with five G-runs
分子名称: DNA (5'-D(*GP*GP*GP*TP*AP*GP*GP*GP*CP*GP*GP*CP*GP*GP*GP*GP*CP*AP*GP*GP*GP*T)-3')
著者Vianney, Y.M, Schroeder, N, Jana, J, Weisz, K.
登録日2023-07-13
公開日2023-09-27
最終更新日2023-10-18
実験手法SOLUTION NMR
主引用文献Showcasing Different G-Quadruplex Folds of a G-Rich Sequence: Between Rule-Based Prediction and Butterfly Effect.
J.Am.Chem.Soc., 145, 2023
5EWM
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BU of 5ewm by Molmil
CRYSTAL STRUCTURE OF AMINO TERMINAL DOMAINS OF THE NMDA RECEPTOR SUBUNIT GLUN1 AND GLUN2B IN COMPLEX WITH EVT-101
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[3-[bis(fluoranyl)methyl]-4-fluoranyl-phenyl]-3-[(2-methylimidazol-1-yl)methyl]pyridazine, Glutamate receptor ionotropic, ...
著者Pandit, J.
登録日2015-11-20
公開日2016-03-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献A Novel Binding Mode Reveals Two Distinct Classes of NMDA Receptor GluN2B-selective Antagonists.
Mol.Pharmacol., 89, 2016
8PHW
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BU of 8phw by Molmil
Human OATP1B1
分子名称: CHOLESTEROL HEMISUCCINATE, Fab18 (heavy chain, variable region), ...
著者Ciuta, A.-D, Nosol, K, Kowal, J, Mukherjee, S, Ramirez, A.S, Stieger, B, Kossiakoff, A.A, Locher, K.P.
登録日2023-06-20
公開日2023-09-27
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structure of human drug transporters OATP1B1 and OATP1B3.
Nat Commun, 14, 2023
8PMB
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BU of 8pmb by Molmil
Minimal I-motif comprising three cytosine-cytosine+ base-pairs
分子名称: minimal I-motif C21T333
著者Ghezzo, M, Trajkovski, M, Plavec, J, Sissi, C.
登録日2023-06-28
公開日2023-09-13
最終更新日2023-10-18
実験手法SOLUTION NMR
主引用文献A Screening Protocol for Exploring Loop Length Requirements for the Formation of a Three Cytosine-Cytosine + Base-Paired i-Motif.
Angew.Chem.Int.Ed.Engl., 62, 2023
8PSC
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BU of 8psc by Molmil
Three-layered basket-type G-quadruplex from a G-rich sequence with five G-runs
分子名称: DNA (5'-D(*AP*GP*(BG)P*GP*TP*AP*GP*GP*GP*CP*GP*GP*CP*GP*GP*GP*GP*CP*AP*GP*GP*GP*T)-3')
著者Vianney, Y.M, Schroeder, N, Jana, J, Weisz, K.
登録日2023-07-13
公開日2023-09-27
最終更新日2023-10-18
実験手法SOLUTION NMR
主引用文献Showcasing Different G-Quadruplex Folds of a G-Rich Sequence: Between Rule-Based Prediction and Butterfly Effect.
J.Am.Chem.Soc., 145, 2023
6Y74
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BU of 6y74 by Molmil
X-ray crystal structure of human carbonic anhydrase IX catalytic domain.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CHLORIDE ION, ...
著者Fisher, S.Z, Koruza, K.
登録日2020-02-28
公開日2020-08-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Biophysical Characterization of Cancer-Related Carbonic Anhydrase IX
Int J Mol Sci, 21, 2020
6Y78
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Structure of galectin-3C in complex with lactose determined by serial crystallography using a silicon nitride membrane support
分子名称: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Hakansson, M, Welin, M, Shilova, A, Kovacic, R, Mueller, U, Logan, D.T.
登録日2020-02-28
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Current status and future opportunities for serial crystallography at MAX IV Laboratory.
J.Synchrotron Radiat., 27, 2020
4WMT
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BU of 4wmt by Molmil
STRUCTURE OF MBP-MCL1 BOUND TO ligand 1 AT 2.35A
分子名称: 1,2-ETHANEDIOL, 7-[2-(1H-imidazol-1-yl)-4-methylpyridin-3-yl]-3-[3-(naphthalen-1-yloxy)propyl]-1-[2-oxo-2-(piperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid, FORMIC ACID, ...
著者Clifton, M.C, Dranow, D.M.
登録日2014-10-09
公開日2015-05-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10, 2015
7B01
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BU of 7b01 by Molmil
ADAMTS13-CUB12
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Maltodextrin-binding protein,Maltodextrin-binding protein,Maltodextrin-binding protein,ADAMTS13 CUB12,A disintegrin and metalloproteinase with thrombospondin motifs 13,A disintegrin and metalloproteinase with thrombospondin motifs 13,A disintegrin and metalloproteinase with thrombospondin motifs 13, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Kim, H.J, Emsley, J.
登録日2020-11-18
公開日2021-04-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of ADAMTS13 CUB domains reveals their role in global latency.
Sci Adv, 7, 2021

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