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4XP9
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BU of 4xp9 by Molmil
X-ray structure of Drosophila dopamine transporter bound to psychostimulant D-amphetamine
分子名称: (2S)-1-phenylpropan-2-amine, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Aravind, P, Wang, K, Gouaux, E.
登録日2015-01-16
公開日2015-05-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Neurotransmitter and psychostimulant recognition by the dopamine transporter.
Nature, 521, 2015
4XPA
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BU of 4xpa by Molmil
X-ray structure of Drosophila dopamine transporter bound to 3,4dichlorophenethylamine
分子名称: 2-(3,4-dichlorophenyl)ethanamine, Antibody fragment heavy chain-protein, 9D5-heavy chain, ...
著者Aravind, P, Wang, K, Gouaux, E.
登録日2015-01-16
公開日2015-05-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Neurotransmitter and psychostimulant recognition by the dopamine transporter.
Nature, 521, 2015
5Y6T
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BU of 5y6t by Molmil
Crystal structure of endo-1,4-beta-mannanase from Eisenia fetida
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ISOPROPYL ALCOHOL, endo-1,4-beta-mannanase
著者Hirano, Y, Ueda, M, Tamada, T.
登録日2017-08-15
公開日2018-06-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Gene cloning, expression, and X-ray crystallographic analysis of a beta-mannanase from Eisenia fetida.
Enzyme.Microb.Technol., 117, 2018
4Y95
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BU of 4y95 by Molmil
Crystal structure of the kinase domain of Bruton's tyrosine kinase with mutations in the activation loop
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 4-tert-butyl-N-[2-methyl-3-(4-methyl-6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-5-oxo-4,5-dihydropyrazin-2-yl)phenyl]benzamide, BETA-MERCAPTOETHANOL, ...
著者Wang, Q, Rosen, C.E, Kuriyan, J.
登録日2015-02-16
公開日2015-03-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Autoinhibition of Bruton's tyrosine kinase (Btk) and activation by soluble inositol hexakisphosphate.
Elife, 4, 2015
3FIU
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BU of 3fiu by Molmil
Structure of NMN synthetase from Francisella tularensis
分子名称: ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, NH(3)-dependent NAD(+) synthetase, ...
著者Sorci, L, Martynowski, D, Eyobo, Y, Osterman, A.L, Zhang, H.
登録日2008-12-12
公開日2009-03-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Nicotinamide mononucleotide synthetase is the key enzyme for an alternative route of NAD biosynthesis in Francisella tularensis
Proc.Natl.Acad.Sci.USA, 106, 2009
4Y64
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BU of 4y64 by Molmil
AAGlyB in complex with amino-acid analogues
分子名称: 5'-(D-alanylamino)-5'-deoxyuridine, Histo-blood group ABO system transferase, octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside
著者Wang, S, Cuesta-Seijo, J.A, Striebeck, A, Lafont, D, Palcic, M.M, Vidal, S.
登録日2015-02-12
公開日2015-09-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Design of Glycosyltransferase Inhibitors: Serine Analogues as Pyrophosphate Surrogates?
Chempluschem, 80, 2015
4Y94
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BU of 4y94 by Molmil
Crystal structure of the PH-TH module of Bruton's tyrosine kinase bound to inositol hexakisphosphate
分子名称: INOSITOL HEXAKISPHOSPHATE, Non-specific protein-tyrosine kinase, ZINC ION
著者Wang, Q, Kuriyan, J.
登録日2015-02-16
公開日2015-03-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Autoinhibition of Bruton's tyrosine kinase (Btk) and activation by soluble inositol hexakisphosphate.
Elife, 4, 2015
7BMH
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BU of 7bmh by Molmil
Crystal structure of a light-driven proton pump LR (Mac) from Leptosphaeria maculans
分子名称: EICOSANE, OLEIC ACID, Opsin
著者Kovalev, K, Zabelskii, D, Dmitrieva, N, Volkov, O, Shevchenko, V, Astashkin, R, Zinovev, E, Gordeliy, V.
登録日2021-01-20
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-based insights into evolution of rhodopsins.
Commun Biol, 4, 2021
7BH4
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BU of 7bh4 by Molmil
XFEL structure of apo CTX-M-15 after mixing for 0.7 sec with ertapenem using a piezoelectric injector (PolyPico)
分子名称: Beta-lactamase, SULFATE ION
著者Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J.
登録日2021-01-10
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
7BHN
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BU of 7bhn by Molmil
Crystal structure of hen egg white lysozyme using drop-on-drop SFX method - 2 s mixing with N-acetyl-D-glucosamine.
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, Lysozyme, ...
著者Butryn, A, Orville, A.M.
登録日2021-01-11
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
7BH5
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BU of 7bh5 by Molmil
XFEL structure of the ertapenem-derived CTX-M-15 acylenzyme after mixing for 2 sec using a piezoelectric injector (PolyPico)
分子名称: (2~{S},3~{R},4~{R})-3-[5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid, Beta-lactamase, CHLORIDE ION, ...
著者Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J.
登録日2021-01-10
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
7BHM
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BU of 7bhm by Molmil
Crystal structure of hen egg white lysozyme using drop-on-drop SFX method - 0.7 s mixing with N-acetyl-D-glucosamine.
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, Lysozyme, ...
著者Butryn, A, Orville, A.M.
登録日2021-01-11
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
7BH7
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BU of 7bh7 by Molmil
Room temperature, serial X-ray structure of the ertapenem-derived acylenzyme of CTX-M-15 (10 min soak) collected on fixed target chips at Diamond Light Source I24
分子名称: (2~{S},3~{R},4~{R})-3-[5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid, Beta-lactamase, CHLORIDE ION, ...
著者Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J.
登録日2021-01-10
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
7BH6
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BU of 7bh6 by Molmil
Room temperature, serial X-ray structure of CTX-M-15 collected on fixed target chips at Diamond Light Source I24
分子名称: Beta-lactamase, CHLORIDE ION, SODIUM ION, ...
著者Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J.
登録日2021-01-10
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
5GPJ
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BU of 5gpj by Molmil
Crystal Structure of Proton-Pumping Pyrophosphatase
分子名称: MAGNESIUM ION, PHOSPHATE ION, Pyrophosphate-energized vacuolar membrane proton pump
著者Li, K.M, Tsai, J.Y, Sun, Y.J.
登録日2016-08-03
公開日2016-12-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Membrane pyrophosphatases from Thermotoga maritima and Vigna radiata suggest a conserved coupling mechanism
Nat Commun, 7, 2016
7BHK
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BU of 7bhk by Molmil
Crystal structure of hen egg white lysozyme using drop-on-drop SFX method.
分子名称: CHLORIDE ION, Lysozyme, SODIUM ION
著者Butryn, A, Orville, A.M.
登録日2021-01-11
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
7BH3
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BU of 7bh3 by Molmil
XFEL structure of CTX-M-15 resting state
分子名称: Beta-lactamase, CHLORIDE ION, SULFATE ION
著者Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J.
登録日2021-01-10
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
7BHL
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BU of 7bhl by Molmil
Crystal structure of hen egg white lysozyme using drop-on-drop SFX method - 0.2 s mixing with N-acetyl-D-glucosamine.
分子名称: CHLORIDE ION, Lysozyme, SODIUM ION
著者Butryn, A, Orville, A.M.
登録日2021-01-11
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
4YK0
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BU of 4yk0 by Molmil
Crystal structure of the CBP bromodomain in complex with CPI098
分子名称: (4R)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, CREB-binding protein
著者Bellon, S.F, Jayaram, H.
登録日2015-03-03
公開日2016-04-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Regulatory T Cell Modulation by CBP/EP300 Bromodomain Inhibition.
J.Biol.Chem., 291, 2016
4YO0
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BU of 4yo0 by Molmil
Crystal structure of monoclonal anti-human podoplanin antibody NZ-1 with bound PA peptide
分子名称: 1,2-ETHANEDIOL, Heavy chain of antigen binding fragment, Fab, ...
著者Fujii, Y, Kitago, Y, Arimori, T, Takagi, J.
登録日2015-03-11
公開日2016-03-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Tailored placement of a turn-forming PA tag into the structured domain of a protein to probe its conformational state
J.Cell.Sci., 129, 2016
5GXQ
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BU of 5gxq by Molmil
The crystal structure of the nucleosome containing H3.6
分子名称: DNA (146-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
著者Taguchi, H, Xie, Y, Horikoshi, N, Kurumizaka, H.
登録日2016-09-19
公開日2017-04-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Crystal Structure and Characterization of Novel Human Histone H3 Variants, H3.6, H3.7, and H3.8
Biochemistry, 56, 2017
4YTF
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BU of 4ytf by Molmil
Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Diseases
分子名称: N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)-L-alaninamide, Tyrosine-protein kinase JAK2
著者Farmer, L, Ledeboer, M.W, Zuccola, H.J.
登録日2015-03-17
公開日2015-08-12
最終更新日2015-10-07
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases.
J.Med.Chem., 58, 2015
4YTI
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BU of 4yti by Molmil
Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Disease
分子名称: (2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-[2,2,2-tris(fluoranyl)ethyl]butanamide, Tyrosine-protein kinase JAK2
著者Zuccola, H.J, Ledeboer, M.
登録日2015-03-17
公開日2015-08-12
最終更新日2015-10-07
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases.
J.Med.Chem., 58, 2015
4Y63
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BU of 4y63 by Molmil
AAGlyB in complex with amino-acid analogues
分子名称: 5'-deoxy-5'-{[(2S)-2-(triaza-1,2-dien-2-ium-1-yl)propanoyl]amino}uridine, Histo-blood group ABO system transferase, MANGANESE (II) ION, ...
著者Wang, S, Cuesta-Seijo, J.A, Striebeck, A, Lafont, D, Palcic, M.M, Vidal, S.
登録日2015-02-12
公開日2015-09-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Design of Glycosyltransferase Inhibitors: Serine Analogues as Pyrophosphate Surrogates?
Chempluschem, 80, 2015
5GSE
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BU of 5gse by Molmil
Crystal structure of unusual nucleosome
分子名称: DNA (250-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
著者Kato, D, Osakabe, A, Arimura, Y, Park, S.Y, Kurumizaka, H.
登録日2016-08-16
公開日2017-05-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Crystal structure of the overlapping dinucleosome composed of hexasome and octasome
Science, 356, 2017

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