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4DUV
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BU of 4duv by Molmil
E. coli (lacZ) beta-galactosidase (G974A) 2-deoxy-galactosyl-enzyme and bis-Tris complex
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-deoxy-alpha-D-galactopyranose, Beta-galactosidase, ...
著者Wheatley, R.W, Lo, S, Janzcewicz, L.J, Dugdale, M.L, Huber, R.E.
登録日2012-02-22
公開日2013-04-03
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Glucose Acceptor site of lacZ beta-galactosidase for the synthesis of allolactose - the natural inducer of the lac operon
To be Published
6CXB
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BU of 6cxb by Molmil
Structure of N-truncated R1-type pyocin tail fiber at 1.7 angstrom resolution
分子名称: GLYCEROL, MAGNESIUM ION, R1-type pyocin tail fiber protein
著者Salazar, A.J, Sherekar, M, Saccettini, J.C.
登録日2018-04-02
公開日2019-02-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献R pyocin tail fiber structure reveals a receptor-binding domain with a lectin fold.
PLoS ONE, 14, 2019
4DCH
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BU of 4dch by Molmil
Insights into Glucokinase Activation Mechanism: Observation of Multiple Distinct Protein Conformations
分子名称: (2R)-3-cyclopentyl-2-[4-(methylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide, Glucokinase, IODIDE ION, ...
著者Greasley, S.E, Hickey, M, Feng, J, Garcia, E.
登録日2012-01-17
公開日2012-02-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS.
J.Biol.Chem., 287, 2012
2BY0
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BU of 2by0 by Molmil
Is radiation damage dependent on the dose-rate used during macromolecular crystallography data collection
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, MAGNESIUM ION, ...
著者Leiros, H.-K.S, Timmins, J, Ravelli, R.B.G, McSweeney, S.M.
登録日2005-07-28
公開日2006-02-06
最終更新日2025-10-01
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Is Radiation Damage Dependent on the Dose-Rate Used During Macromolecular Crystallography Data Collection?
Acta Crystallogr.,Sect.D, 62, 2006
5VDI
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BU of 5vdi by Molmil
Crystal Structure of Human Glycine Receptor alpha-3 Mutant N38Q Bound to AM-3607, Glycine, and Ivermectin
分子名称: (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, (3S,3aS,9bS)-2-[(2H-1,3-benzodioxol-5-yl)sulfonyl]-3,5-dimethyl-1,2,3,3a,5,9b-hexahydro-4H-pyrrolo[3,4-c][1,6]naphthyridin-4-one, GLYCINE, ...
著者Shaffer, P.L, Huang, X, Chen, H.
登録日2017-04-03
公開日2017-05-24
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal Structures of Human GlyR alpha 3 Bound to Ivermectin.
Structure, 25, 2017
1SB8
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BU of 1sb8 by Molmil
Crystal structure of Pseudomonas aeruginosa UDP-N-acetylglucosamine 4-epimerase complexed with UDP-N-acetylgalactosamine
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, URIDINE-DIPHOSPHATE-N-ACETYLGALACTOSAMINE, wbpP
著者Ishiyama, N, Creuzenet, C, Lam, J.S, Berghuis, A.M.
登録日2004-02-10
公開日2004-05-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of WbpP, a Genuine UDP-N-acetylglucosamine 4-Epimerase from Pseudomonas aeruginosa: SUBSTRATE SPECIFICITY IN UDP-HEXOSE 4-EPIMERASES.
J.Biol.Chem., 279, 2004
3T0Q
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BU of 3t0q by Molmil
Motor Domain Structure of the Kar3-like kinesin from Ashbya gossypii
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, AGR253Wp, ...
著者Duan, D, Hnatchuk, D.J, Brenner, J, Davis, D, Allingham, J.S.
登録日2011-07-20
公開日2012-04-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structure of the Kar3-like kinesin motor domain from the filamentous fungus Ashbya gossypii.
Proteins, 80, 2012
6VN3
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BU of 6vn3 by Molmil
USP7 IN COMPLEX WITH LIGAND COMPOUND 23
分子名称: 1-{[7-(5-chloro-2-{[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy}-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl}-1H-pyrrole-2,5-dione, Ubiquitin carboxyl-terminal hydrolase 7
著者Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M.
登録日2020-01-29
公開日2020-04-29
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020
5VF2
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BU of 5vf2 by Molmil
scFv 2D10 re-refined as a complex with trehalose replacing the original alpha-1,6-mannobiose
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, UNKNOWN ATOM OR ION, ...
著者Porebski, P.J, Wlodawer, A, Dauter, Z, Minor, W, Stanfield, R, Jaskolski, M, Pozharski, E, Weichenberger, C.X, Rupp, B.
登録日2017-04-06
公開日2017-12-06
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Detect, correct, retract: How to manage incorrect structural models.
FEBS J., 285, 2018
3G3W
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BU of 3g3w by Molmil
Crystal structure of spin labeled T4 Lysozyme (T151R1) at 291 K
分子名称: 2-HYDROXYETHYL DISULFIDE, AZIDE ION, CHLORIDE ION, ...
著者Fleissner, M.R, Cascio, D, Hubbell, W.L.
登録日2009-02-02
公開日2009-05-05
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural origin of weakly ordered nitroxide motion in spin-labeled proteins.
Protein Sci., 18, 2009
9C5N
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BU of 9c5n by Molmil
Trypanosoma cruzi R19T/K20S/C64Y mutant beta-3-HBDH APO structure
分子名称: 1,2-ETHANEDIOL, Hydroxybutyrate dehydrogenase
著者Hashimoto, H, Debler, E.W.
登録日2024-06-06
公開日2025-08-27
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Trypanosoma cruzi D-3-hydroxybutyrate dehydrogenase (HBDH) is NADP-dependent enzyme.
To Be Published
9C5I
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BU of 9c5i by Molmil
Trypanosoma cruzi beta-3-HBDH APO structure (C2 space group)
分子名称: 1,2-ETHANEDIOL, Hydroxybutyrate dehydrogenase
著者Hashimoto, H, Debler, E.W.
登録日2024-06-06
公開日2025-08-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Trypanosoma cruzi D-3-hydroxybutyrate dehydrogenase (HBDH) is NADP-dependent enzyme.
To Be Published
7LK4
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BU of 7lk4 by Molmil
Crystal structure of BAK L100A in complex with activating antibody fragments
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 7D10 antibody VH fragment, 7D10 antibody VL fragment, ...
著者Robin, Y.A, Colman, P.M.
登録日2021-02-01
公開日2022-02-09
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure of the BAK-activating antibody 7D10 bound to BAK reveals an unexpected role for the alpha 1-alpha 2 loop in BAK activation.
Cell Death Differ., 29, 2022
7LJP
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BU of 7ljp by Molmil
Structure of Thermotoga maritima SmpB
分子名称: 1,4-DIETHYLENE DIOXIDE, GLYCEROL, SULFATE ION, ...
著者Chan, C.W, Mondragon, A.
登録日2021-01-29
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of Thermotoga maritima SmpB reveals its C-terminal tail domain in a helical conformation mimicking that of a ribosome-bound state
To Be Published
3G4V
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BU of 3g4v by Molmil
Ligand migration and cavities within scapharca dimeric hemoglobin: wild type with co bound to heme and chloropentane bound to the XE4 cavity
分子名称: 1-chloropentane, CARBON MONOXIDE, GLOBIN-1, ...
著者Knapp, J.E, Pahl, R, Cohen, J, Nichols, J.C, Schulten, K, Gibson, Q.H, Srajer, V, Royer Jr, W.E.
登録日2009-02-04
公開日2009-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Ligand migration and cavities within Scapharca Dimeric HbI: studies by time-resolved crystallo-graphy, Xe binding, and computational analysis.
Structure, 17, 2009
5VKT
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BU of 5vkt by Molmil
Cinnamyl alcohol dehydrogenases (SbCAD4) from Sorghum bicolor (L.) Moench
分子名称: ACETATE ION, Cinnamyl alcohol dehydrogenases (SbCAD4), D-MALATE, ...
著者Walker, A.M, Jun, S.Y, Kang, C.
登録日2017-04-22
公開日2017-08-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.827 Å)
主引用文献The Enzyme Activity and Substrate Specificity of Two Major Cinnamyl Alcohol Dehydrogenases in Sorghum (Sorghum bicolor), SbCAD2 and SbCAD4.
Plant Physiol., 174, 2017
9C5H
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BU of 9c5h by Molmil
Trypanosoma cruzi beta-3-HBDH structure in complex with NADPH and malonate
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Hydroxybutyrate dehydrogenase, ...
著者Hashimoto, H, Debler, E.W.
登録日2024-06-06
公開日2025-08-27
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Trypanosoma cruzi D-3-hydroxybutyrate dehydrogenase (HBDH) is NADP-dependent enzyme.
To Be Published
9C5O
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BU of 9c5o by Molmil
Trypanosoma cruzi R42F mutant beta-3-HBDH structure
分子名称: 1,2-ETHANEDIOL, Hydroxybutyrate dehydrogenase
著者Hashimoto, H, Debler, E.W.
登録日2024-06-06
公開日2025-08-27
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Trypanosoma cruzi D-3-hydroxybutyrate dehydrogenase (HBDH) is NADP-dependent enzyme.
To Be Published
9C5M
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BU of 9c5m by Molmil
Trypanosoma cruzi R19T/K20S/C64Y mutant beta-3-HBDH structure in complex with NADH and malonate (P1 space group)
分子名称: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Hydroxybutyrate dehydrogenase, ...
著者Hashimoto, H, Debler, E.W.
登録日2024-06-06
公開日2025-08-27
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Trypanosoma cruzi D-3-hydroxybutyrate dehydrogenase (HBDH) is NADP-dependent enzyme.
To Be Published
8QWY
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BU of 8qwy by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-((5-isopropoxy-2-methoxyphenyl)amino)pyrazin-2-yl)benzoic acid
分子名称: 4-[6-[(2-methoxy-5-propan-2-yloxy-phenyl)amino]pyrazin-2-yl]benzoic acid, Casein kinase II subunit alpha, SULFATE ION
著者Kraemer, A, Galal, K, Willson, T, Knapp, S, Structural Genomics Consortium (SGC)
登録日2023-10-20
公開日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-(6-isopropoxy-1H-indol-1-yl)pyrazin-2-yl)benzoic acid
To Be Published
4DT6
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BU of 4dt6 by Molmil
Co-crystal structure of eIF4E with inhibitor
分子名称: 1,2-ETHANEDIOL, 7-[2-(4-chlorophenoxy)ethyl]guanosine 5'-(dihydrogen phosphate), Eukaryotic translation initiation factor 4E, ...
著者Min, X, Johnstone, S, Walker, N, Wang, Z.
登録日2012-02-20
公開日2012-04-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-Guided Design, Synthesis, and Evaluation of Guanine-Derived Inhibitors of the eIF4E mRNA-Cap Interaction.
J.Med.Chem., 55, 2012
2BY1
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BU of 2by1 by Molmil
Is radiation damage dependent on the dose-rate used during macromolecular crystallography data collection
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, MAGNESIUM ION, ...
著者Leiros, H.-K.S, Timmins, J, Ravelli, R.B.G, McSweeney, S.M.
登録日2005-07-28
公開日2006-02-06
最終更新日2025-10-01
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Is Radiation Damage Dependent on the Dose-Rate Used During Macromolecular Crystallography Data Collection?
Acta Crystallogr.,Sect.D, 62, 2006
3G42
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BU of 3g42 by Molmil
Crystal Structure of TACE with Tryptophan Sulfonamide Derivative Inhibitor
分子名称: ADAM 17, N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-D-tryptophan, ZINC ION
著者Xu, W, Park, K, Gopalsamy, A, Aplasca, A, Zhang, Y.H, Levin, J.I.
登録日2009-02-03
公開日2009-05-19
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Synthesis and activity of tryptophan sulfonamide derivatives as novel non-hydroxamate TNF-alpha converting enzyme (TACE) inhibitors.
Bioorg.Med.Chem., 17, 2009
4V3U
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BU of 4v3u by Molmil
Structure of human nNOS R354A G357D mutant heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(pyridin-3-yl) propan-1-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}-3-(pyridin-3-yl)propan-1-amine, ...
著者Li, H, Poulos, T.L.
登録日2014-10-20
公開日2014-12-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
3G4R
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BU of 3g4r by Molmil
Ligand migration and cavities within scapharca dimeric hemoglobin: wild type with co bound to HEME and dichloroethane bound to the XE4 cavity
分子名称: 1,2-DICHLOROETHANE, CARBON MONOXIDE, Globin-1, ...
著者Knapp, J.E, Pahl, R, Cohen, J, Nichols, J.C, Schulten, K, Gibson, Q.H, Srajer, V, Royer Jr, W.E.
登録日2009-02-04
公開日2009-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Ligand migration and cavities within Scapharca Dimeric HbI: studies by time-resolved crystallo-graphy, Xe binding, and computational analysis.
Structure, 17, 2009

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