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2DTJ
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BU of 2dtj by Molmil
Crystal structure of regulatory subunit of aspartate kinase from Corynebacterium glutamicum
分子名称: Aspartokinase, CITRIC ACID, THREONINE
著者Yoshida, A, Tomita, T, Fushinobu, S, Kuzuyama, T, Nishiyama, M.
登録日2006-07-12
公開日2007-05-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structural Insight into Concerted Inhibition of alpha(2)beta(2)-Type Aspartate Kinase from Corynebacterium glutamicum
J.Mol.Biol., 368, 2007
7Q6C
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BU of 7q6c by Molmil
complement C6 FIM1-2 bound to CP010 antibody
分子名称: ACETATE ION, CP010 heavy chain, CP010 light chain, ...
著者Olesen, H.G, Andersen, G.R.
登録日2021-11-06
公開日2022-05-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.29274 Å)
主引用文献Development, Characterization, and in vivo Validation of a Humanized C6 Monoclonal Antibody that Inhibits the Membrane Attack Complex.
J Innate Immun, 2022
6B69
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BU of 6b69 by Molmil
Beta-Lactamase, 500ms timepoint, mixed, shards crystal form
分子名称: (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, (2R)-2-[(S)-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-(hydroxymethyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, ...
著者Pandey, S, Schmidt, M.
登録日2017-10-01
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B6D
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BU of 6b6d by Molmil
Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 100ms
分子名称: (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone
著者Pandey, S, Schmidt, M.
登録日2017-10-01
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B5Y
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BU of 6b5y by Molmil
Beta-lactamase, mixed with Ceftriaxone, 30ms time point, Shards crystal form
分子名称: Beta-lactamase, Ceftriaxone, PHOSPHATE ION
著者Pandey, S, Schmidt, M.
登録日2017-09-29
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B6A
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BU of 6b6a by Molmil
Beta-Lactamase, 2secs timepoint, mixed, shards crystal form
分子名称: (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone, ...
著者Pandey, S, Schmidt, M.
登録日2017-10-01
公開日2018-06-27
最終更新日2020-01-15
実験手法X-RAY DIFFRACTION (2.298 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B6C
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BU of 6b6c by Molmil
Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 30ms
分子名称: Beta-lactamase, Ceftriaxone
著者Pandey, S, Schmidt, M.
登録日2017-10-01
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B6B
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BU of 6b6b by Molmil
Beta-Lactamase, unmixed needles crystal form
分子名称: Beta-lactamase
著者Pandey, S, Schmidt, M.
登録日2017-10-01
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B6E
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BU of 6b6e by Molmil
Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 500ms
分子名称: (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone
著者Pandey, S, Schmidt, M.
登録日2017-10-01
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B68
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BU of 6b68 by Molmil
Beta-Lactamase, 100ms timepoint, mixed, shards crystal form
分子名称: (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone, ...
著者Pandey, S, Schmidt, M.
登録日2017-10-01
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6FDG
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BU of 6fdg by Molmil
Novel crystal structure of DHNA-CoA Thioesterase from Staphylococcus aureus
分子名称: 4-hydroxybenzoyl-CoA thioesterase
著者Murad, A.M, Betzel, C, Wrenger, C.
登録日2017-12-22
公開日2018-02-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Novel crystal structure of DHNA-CoA Thioesterase from Staphylococcus aureus
To Be Published
6USZ
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BU of 6usz by Molmil
Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Vigers, G.P, Smith, D.J.
登録日2019-10-28
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Identification of the Clinical Development CandidateMRTX849, a Covalent KRASG12CInhibitor for the Treatment of Cancer.
J.Med.Chem., 63, 2020
6USX
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BU of 6usx by Molmil
Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer
分子名称: 1-{4-[2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Vigers, G.P, Smith, D.J.
登録日2019-10-28
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Identification of the Clinical Development CandidateMRTX849, a Covalent KRASG12CInhibitor for the Treatment of Cancer.
J.Med.Chem., 63, 2020
6UT0
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BU of 6ut0 by Molmil
Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Vigers, G.P, Smith, D.J.
登録日2019-10-29
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Identification of the Clinical Development CandidateMRTX849, a Covalent KRASG12CInhibitor for the Treatment of Cancer.
J.Med.Chem., 63, 2020
6B5X
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BU of 6b5x by Molmil
Beta-Lactamase, unmixed shards crystal form
分子名称: Beta-lactamase, PHOSPHATE ION
著者Pandey, S.
登録日2017-09-29
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B6F
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BU of 6b6f by Molmil
Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 2sec
分子名称: Beta-lactamase, Ceftriaxone
著者Pandey, S, Schmidt, M.
登録日2017-10-01
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
7KDT
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BU of 7kdt by Molmil
Human Tom70 in complex with SARS CoV2 Orf9b
分子名称: Mitochondrial import receptor subunit TOM70, ORF9b protein
著者QCRG Structural Biology Consortium
登録日2020-10-09
公開日2020-10-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Comparative host-coronavirus protein interaction networks reveal pan-viral disease mechanisms.
Science, 370, 2020
6FRL
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BU of 6frl by Molmil
BrvH, a flavin-dependent halogenase from Brevundimonas sp. BAL3
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, L(+)-TARTARIC ACID, ...
著者Widmann, C, Neubauer, P.R, Sewald, N, Niemann, H.H.
登録日2018-02-16
公開日2018-05-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A flavin-dependent halogenase from metagenomic analysis prefers bromination over chlorination.
PLoS ONE, 13, 2018
4KPS
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BU of 4kps by Molmil
Structure and receptor binding specificity of the hemagglutinin H13 from avian influenza A virus H13N6
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, ...
著者Lu, X, Qi, J, Shi, Y, Gao, G.
登録日2013-05-14
公開日2013-07-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.587 Å)
主引用文献Structure and Receptor Binding Specificity of Hemagglutinin H13 from Avian Influenza A Virus H13N6
J.Virol., 87, 2013
6GKB
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BU of 6gkb by Molmil
Iron soak structure of Y40F SynFtn
分子名称: FE (III) ION, Ferritin
著者Hemmings, A.M, Bradley, J.M.
登録日2018-05-18
公開日2019-01-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Reaction of O2with a diiron protein generates a mixed-valent Fe2+/Fe3+center and peroxide.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6GKA
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BU of 6gka by Molmil
20 minute Fe2+ soak structure of SynFtn
分子名称: CHLORIDE ION, FE (III) ION, Ferritin
著者Hemmings, A.M, Bradley, J.M.
登録日2018-05-18
公開日2019-01-23
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Reaction of O2with a diiron protein generates a mixed-valent Fe2+/Fe3+center and peroxide.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
4GMI
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BU of 4gmi by Molmil
BACE-1 in complex with HEA-type macrocyclic inhibitor, MV078571
分子名称: (4S,8E)-4-[(1R)-2-{[2-(5-tert-butyl-1,3-oxazol-2-yl)propan-2-yl]amino}-1-hydroxyethyl]-16-methyl-6-oxa-3-azabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione, ACETATE ION, Beta-secretase 1, ...
著者Lindberg, J.D, Derbyshire, D.
登録日2012-08-16
公開日2013-09-04
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design and synthesis of novel BACE-1 inhibitors
To be Published
5KLA
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BU of 5kla by Molmil
Crystal structure of the drosophila Pumilio RNA-binding domain in complex with hunchback RNA
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Maternal protein pumilio, ...
著者Qiu, C, Hall, T.M.T.
登録日2016-06-23
公開日2016-08-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Drosophila Nanos acts as a molecular clamp that modulates the RNA-binding and repression activities of Pumilio.
Elife, 5, 2016
6TSG
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BU of 6tsg by Molmil
Crystal structure of Peroxisome proliferator-activated receptor gamma (PPARG) in complex with TETRAC
分子名称: 3,3',5,5'-TETRAIODOTHYROACETIC ACID, Peroxisome proliferator-activated receptor gamma
著者Chaikuad, A, Gellrich, L, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Merk, D, Knapp, S, Structural Genomics Consortium (SGC)
登録日2019-12-20
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献l-Thyroxin and the Nonclassical Thyroid Hormone TETRAC Are Potent Activators of PPAR gamma.
J.Med.Chem., 63, 2020
6B86
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BU of 6b86 by Molmil
2.2A Crystal Structure of Co-CAO1
分子名称: COBALT (II) ION, Carotenoid oxygenase 1
著者Hill, H.E, Kiser, P.D.
登録日2017-10-05
公開日2018-07-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Preparation and characterization of metal-substituted carotenoid cleavage oxygenases.
J. Biol. Inorg. Chem., 23, 2018

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