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7NJG
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BU of 7njg by Molmil
Xylose isomerase grown inside HARE serial crystallography chip
分子名称: COBALT (II) ION, Xylose isomerase
著者Norton-Baker, B, Mehrabi, P, Boger, J, Schonherr, R, von Stetten, D, Schikora, H, Martin, R.W, Miller, R.J.D, Redecke, L, Schulz, E.C.
登録日2021-02-16
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A simple vapor-diffusion method enables protein crystallization inside the HARE serial crystallography chip.
Acta Crystallogr D Struct Biol, 77, 2021
4PPR
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BU of 4ppr by Molmil
Crystal structure of Mycobacterium tuberculosis D,D-peptidase Rv3330 in complex with meropenem
分子名称: (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, Penicillin-binding protein DacB1
著者Prigozhin, D.M, Huizar, J.P, Mavrici, D, Alber, T, TB Structural Genomics Consortium (TBSGC)
登録日2014-02-27
公開日2014-11-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Subfamily-specific adaptations in the structures of two penicillin-binding proteins from Mycobacterium tuberculosis.
Plos One, 9, 2014
6DZY
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BU of 6dzy by Molmil
Cryo-EM structure of the ts2-active human serotonin transporter in complex with 15B8 Fab and 8B6 ScFv bound to ibogaine
分子名称: (5beta)-12-methoxyibogamine, 15B8 antibody heavy chain, 15B8 antibody light chain, ...
著者Coleman, J.A, Yang, D, Gouaux, E.
登録日2018-07-05
公開日2019-04-24
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Serotonin transporter-ibogaine complexes illuminate mechanisms of inhibition and transport.
Nature, 569, 2019
7NJI
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BU of 7nji by Molmil
HEX1 (in cellulo) loaded on HARE serial crystallography chip
分子名称: Woronin body major protein
著者Norton-Baker, B, Mehrabi, P, Boger, J, Schonherr, R, von Stetten, D, Schikora, H, Martin, R.W, Miller, R.J.D, Redecke, L, Schulz, E.C.
登録日2021-02-16
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A simple vapor-diffusion method enables protein crystallization inside the HARE serial crystallography chip.
Acta Crystallogr D Struct Biol, 77, 2021
6E07
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BU of 6e07 by Molmil
Crystal structure of Canton G6PD in complex with structural NADP
分子名称: GLYCEROL, Glucose-6-phosphate 1-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Rahighi, S, Mochly-Rosen, D, Wakatsuki, S.
登録日2018-07-06
公開日2018-07-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Correcting glucose-6-phosphate dehydrogenase deficiency with a small-molecule activator.
Nat Commun, 9, 2018
4PST
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BU of 4pst by Molmil
Multiconformer model for Escherichia coli dihydrofolate reductase at 277 K
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
著者Keedy, D.A, van den Bedem, H, Sivak, D.A, Petsko, G.A, Ringe, D, Wilson, M.A, Fraser, J.S.
登録日2014-03-07
公開日2014-06-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR.
Structure, 22, 2014
4PSS
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BU of 4pss by Molmil
Multiconformer model for Escherichia coli dihydrofolate reductase at 100K
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
著者Keedy, D.A, van den Bedem, H, Sivak, D.A, Petsko, G.A, Ringe, D, Wilson, M.A, Fraser, J.S.
登録日2014-03-07
公開日2014-06-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.849 Å)
主引用文献Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR.
Structure, 22, 2014
4PTJ
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BU of 4ptj by Molmil
Ensemble model for Escherichia coli dihydrofolate reductase at 277K
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
著者Keedy, D.A, van den Bedem, H, Sivak, D.A, Petsko, G.A, Ringe, D, Wilson, M.A, Fraser, J.S.
登録日2014-03-10
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR.
Structure, 22, 2014
6DZV
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BU of 6dzv by Molmil
Wild type human serotonin transporter in complex with 15B8 Fab bound to ibogaine in occluded conformation
分子名称: (5beta)-12-methoxyibogamine, 15B8 antibody heavy chain, 15B8 antibody light chain, ...
著者Coleman, J.A, Yang, D, Gouaux, E.
登録日2018-07-05
公開日2019-04-24
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Serotonin transporter-ibogaine complexes illuminate mechanisms of inhibition and transport.
Nature, 569, 2019
6E0V
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BU of 6e0v by Molmil
Apo crystal structure of the colanidase tailspike protein gp150 of Phage Phi92
分子名称: 1,2-ETHANEDIOL, Bacteriophage Phi92 gp150, CHLORIDE ION, ...
著者Leiman, P.G, Browning, C, Gerardy-Schahn, R, Shneider, M.M, Plattner, M, Schwarzer, D.
登録日2018-07-07
公開日2019-07-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of the colanidase tailspike protein gp150 of Phage Phi92 complexed with one repeating unit of colanic acid
To Be Published
6DZZ
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BU of 6dzz by Molmil
Cryo-EM Structure of the wild-type human serotonin transporter in complex with ibogaine and 15B8 Fab in the inward conformation
分子名称: (5beta)-12-methoxyibogamine, 15B8 antibody heavy chain, 15B8 antibody light chain, ...
著者Yang, D, Coleman, J.A, Gouaux, E.
登録日2018-07-05
公開日2019-04-24
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Serotonin transporter-ibogaine complexes illuminate mechanisms of inhibition and transport.
Nature, 569, 2019
4PG1
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BU of 4pg1 by Molmil
Insights into Substrate and Metal Binding from the Crystal Structure of Cyanobacterial Aldehyde Deformylating Oxygenase with Substrate Bound
分子名称: (1S,2S)-2-nonylcyclopropanecarboxylic acid, Aldehyde decarbonylase, DIMETHYL SULFOXIDE, ...
著者Buer, B.C, Paul, B, Das, D, Stuckey, J.A, Marsh, E.N.G.
登録日2014-05-01
公開日2014-11-19
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound.
Acs Chem.Biol., 9, 2014
4PGI
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BU of 4pgi by Molmil
Insights into Substrate and Metal Binding from the Crystal Structure of Cyanobacterial Aldehyde Deformylating Oxygenase with Substrate Analogs Bound
分子名称: 1,2-ETHANEDIOL, 11-[2-(2-ethoxyethoxy)ethoxy]undecanal, Aldehyde decarbonylase, ...
著者Buer, B.C, Paul, B, Das, D, Stuckey, J.A, Marsh, E.N.G.
登録日2014-05-02
公開日2015-02-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound.
Acs Chem.Biol., 9, 2014
7NN3
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BU of 7nn3 by Molmil
A carbohydrate esterase family 15 (CE15) glucuronoyl esterase from Caldicellulosiruptor kristjansonii
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Beta-xylanase, ...
著者Krska, D, Mazurkewich, S, Navarro Poulsen, J, Larsbrink, J, Lo Leggio, L.
登録日2021-02-24
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.88948345 Å)
主引用文献Structural and Functional Analysis of a Multimodular Hyperthermostable Xylanase-Glucuronoyl Esterase from Caldicellulosiruptor kristjansonii .
Biochemistry, 60, 2021
6E0W
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BU of 6e0w by Molmil
Crystal structure of the colanidase tailspike protein gp150 of Phage Phi92 complexed with one repeating unit of colanic acid
分子名称: 1,2-ETHANEDIOL, 1,5-anhydro-4,6-O-[(1R)-1-carboxyethylidene]-D-galactitol, Bacteriophage Phi92 gp150, ...
著者Plattner, M, Browning, C, Gerardy-Schahn, R, Shneider, M.M, Leiman, P.G, Schwarzer, D.
登録日2018-07-07
公開日2019-07-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.803 Å)
主引用文献Crystal structure of the colanidase tailspike protein gp150 of Phage Phi92 complexed with one repeating unit of colanic acid
To Be Published
7NAS
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BU of 7nas by Molmil
Bacterial 30S ribosomal subunit assembly complex state A (multibody refinement for body domain of 30S ribosome)
分子名称: 16S rRNA, 30S ribosomal protein S11, 30S ribosomal protein S12, ...
著者Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S.
登録日2021-01-25
公開日2021-07-07
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.31 Å)
主引用文献A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit.
Sci Adv, 7, 2021
6E3S
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BU of 6e3s by Molmil
Crystal Structure of the Heterodimeric HIF-2 Complex with Antagonist PT2385
分子名称: 3-{[(1S)-2,2-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1
著者Wu, D, Su, X, Lu, J, Li, S, Hood, B, Vasile, S, Potluri, N, Diao, X, Kim, Y, Khorasanizadeh, S, Rastinejad, F.
登録日2018-07-15
公開日2019-02-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Bidirectional modulation of HIF-2 activity through chemical ligands.
Nat. Chem. Biol., 15, 2019
6E3T
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BU of 6e3t by Molmil
Crystal Structure of the Heterodimeric HIF-2 Complex with Antagonist T1001
分子名称: (6S)-6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1
著者Wu, D, Su, X, Lu, J, Li, S, Hood, B, Vasile, S, Potluri, N, Diao, X, Kim, Y, Khorasanizadeh, S, Rastinejad, F.
登録日2018-07-15
公開日2019-02-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Bidirectional modulation of HIF-2 activity through chemical ligands.
Nat. Chem. Biol., 15, 2019
6DZW
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BU of 6dzw by Molmil
Cryo-EM structure of the ts2-inactive human serotonin transporter in complex with paroxetine and 15B8 Fab and 8B6 ScFv
分子名称: 15B8 antibody heavy chain, 15B8 antibody light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Coleman, J.A, Yang, D, Gouaux, E.
登録日2018-07-05
公開日2019-04-24
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Serotonin transporter-ibogaine complexes illuminate mechanisms of inhibition and transport.
Nature, 569, 2019
6E3U
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BU of 6e3u by Molmil
Crystal Structure of the Heterodimeric HIF-2 Complex with Agonist M1001
分子名称: 3-{[2-(pyrrolidin-1-yl)phenyl]amino}-1H-1lambda~6~,2-benzothiazole-1,1-dione, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1
著者Wu, D, Su, X, Lu, J, Li, S, Hood, B, Vasile, S, Potluri, N, Diao, X, Kim, Y, Khorasanizadeh, S, Rastinejad, F.
登録日2018-07-15
公開日2019-02-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Bidirectional modulation of HIF-2 activity through chemical ligands.
Nat. Chem. Biol., 15, 2019
4UW8
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BU of 4uw8 by Molmil
Structure of the carboxy-terminal domain of the bacteriophage T5 L- shaped tail fiber with its intra-molecular chaperone domain
分子名称: CITRATE ANION, L-SHAPED TAIL FIBER PROTEIN
著者Garcia-Doval, C, Luque, D, Caston, J.R, Otero, J.M, Llamas-Saiz, A.L, Boulanger, P, van Raaij, M.J.
登録日2014-08-08
公開日2015-08-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Structure of the Receptor-Binding Carboxy-Terminal Domain of the Bacteriophage T5 L-Shaped Tail Fibre with and without Its Intra-Molecular Chaperone.
Viruses, 7, 2015
7NDZ
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BU of 7ndz by Molmil
ThyX reconstituted with N5-carbinolamine flavin
分子名称: DI(HYDROXYETHYL)ETHER, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Flavin-dependent thymidylate synthase, ...
著者Bou-Nader, C, Pecqueur, L, Hamdane, D.
登録日2021-02-02
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献An enzymatic activation of formaldehyde for nucleotide methylation.
Nat Commun, 12, 2021
7NIY
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BU of 7niy by Molmil
E. coli NfsA with FMN
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
著者Day, M.D, Jarrom, D, Hyde, E.I, White, S.A.
登録日2021-02-14
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献The structures of E. coli NfsA bound to the antibiotic nitrofurantoin; to 1,4-benzoquinone and to FMN.
Biochem.J., 478, 2021
7NB9
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BU of 7nb9 by Molmil
E. coli NfsA with nitrofurantoin
分子名称: 1-[(~{E})-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione, DIMETHYL SULFOXIDE, FLAVIN MONONUCLEOTIDE, ...
著者Day, M.D, Jarrom, D, Grainger, A.I, Parr, R.J, Hyde, E.I, White, S.A.
登録日2021-01-25
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献The structures of E. coli NfsA bound to the antibiotic nitrofurantoin; to 1,4-benzoquinone and to FMN.
Biochem.J., 478, 2021
6E3Y
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BU of 6e3y by Molmil
Cryo-EM structure of the active, Gs-protein complexed, human CGRP receptor
分子名称: Calcitonin gene-related peptide 1, Calcitonin gene-related peptide type 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Liang, Y.L, Khoshouei, M, Deganutti, G, Glukhova, A, Koole, C, Peat, T.S, Radjainia, M, Plitzko, J.M, Baumeister, W, Miller, L.J, Hay, D.L, Christopoulos, A, Reynolds, C.A, Wootten, D, Sexton, P.M.
登録日2018-07-16
公開日2018-09-19
最終更新日2020-01-15
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structure of the active, Gs-protein complexed, human CGRP receptor.
Nature, 561, 2018

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