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6X7U
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BU of 6x7u by Molmil
Crystal Structure of the Human Nudix Hydrolase Nudt16 in complex with FAD
Descriptor: ADENOSINE MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, MANGANESE (II) ION, ...
Authors:Hamilton, K, Tong, L.
Deposit date:2020-05-30
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mammalian Nudix proteins cleave nucleotide metabolite caps on RNAs.
Nucleic Acids Res., 48, 2020
6XUG
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BU of 6xug by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with A2410 (compound 53 in publication) in the closed form in crystal form IV
Descriptor: 4-chloranyl-1-(1~{H}-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole, 5'-nucleotidase, CALCIUM ION, ...
Authors:Strater, N.
Deposit date:2020-01-19
Release date:2020-04-22
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Discovery of Potent and Selective Non-Nucleotide Small Molecule Inhibitors of CD73.
J.Med.Chem., 63, 2020
6XUQ
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BU of 6xuq by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with A1618 (compound 1b in publication) in the closed state in crystal form III
Descriptor: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
Authors:Strater, N.
Deposit date:2020-01-20
Release date:2020-04-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Discovery of Potent and Selective Non-Nucleotide Small Molecule Inhibitors of CD73.
J.Med.Chem., 63, 2020
6XUE
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BU of 6xue by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with A2396 (compound 74 in publication) in the closed form in crystal form IV
Descriptor: 4-[[5-[7-chloranyl-3-(1~{H}-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzenecarbonitrile, 5'-nucleotidase, CALCIUM ION, ...
Authors:Strater, N.
Deposit date:2020-01-19
Release date:2020-04-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery of Potent and Selective Non-Nucleotide Small Molecule Inhibitors of CD73.
J.Med.Chem., 63, 2020
7UY4
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BU of 7uy4 by Molmil
Aminoglycoside-modifying enzyme ANT-3,9 in complex with spectinomycin and AMP-PNP
Descriptor: Aminoglycoside (3'') (9) adenylyltransferase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Reeve, S.M, Lee, R.E, Das, N, Jayaraman, S.
Deposit date:2022-05-06
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Characterization of the spectinomycin deactivating enzyme ANT-3,9
To Be Published
2MCW
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BU of 2mcw by Molmil
Solid-state NMR structure of piscidin 3 in aligned 3:1 phosphatidylcholine/phosphoglycerol lipid bilayers
Descriptor: Piscidin-3
Authors:Fu, R, Tian, Y, Perrin Jr, B.S, Grant, C.V, Pastor, R.W, Cotten, M.L.
Deposit date:2013-08-27
Release date:2014-01-22
Last modified:2024-11-06
Method:SOLID-STATE NMR
Cite:High-resolution structures and orientations of antimicrobial peptides piscidin 1 and piscidin 3 in fluid bilayers reveal tilting, kinking, and bilayer immersion.
J.Am.Chem.Soc., 136, 2014
8WR8
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BU of 8wr8 by Molmil
The Crystal Structure of cGAS from Biortus
Descriptor: Cyclic GMP-AMP synthase
Authors:Wang, F, Cheng, W, Yuan, Z, Lin, D, Guo, S.
Deposit date:2023-10-13
Release date:2023-11-15
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The Crystal Structure of cGAS from Biortus
To Be Published
6SLT
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BU of 6slt by Molmil
Flavin-dependent tryptophan 6-halogenase Thal in complex with tryptophan and FAD
Descriptor: ADENOSINE MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Moritzer, A, Niemann, H.H.
Deposit date:2019-08-20
Release date:2019-10-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Binding of FAD and tryptophan to the tryptophan 6-halogenase Thal is negatively coupled.
Protein Sci., 28, 2019
6WTI
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BU of 6wti by Molmil
The Cryo-EM structure of the ubiquinol oxidase from Escherichia coli
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, COPPER (II) ION, Cytochrome o ubiquinol oxidase, ...
Authors:Su, C.-C.
Deposit date:2020-05-02
Release date:2021-01-20
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.38 Å)
Cite:A 'Build and Retrieve' methodology to simultaneously solve cryo-EM structures of membrane proteins.
Nat.Methods, 18, 2021
6WU0
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BU of 6wu0 by Molmil
CryoEM structure of Burkholderia pseudomallei hopanoid biosynthesis-associated RND transporter HpnN
Descriptor: Hopanoid biosynthesis associated RND transporter like protein HpnN
Authors:Lyu, M, Yu, E.W.
Deposit date:2020-05-04
Release date:2021-02-03
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:A 'Build and Retrieve' methodology to simultaneously solve cryo-EM structures of membrane proteins.
Nat.Methods, 18, 2021
1O6Y
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BU of 1o6y by Molmil
Catalytic domain of PknB kinase from Mycobacterium tuberculosis
Descriptor: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, SERINE/THREONINE-PROTEIN KINASE PKNB
Authors:Ortiz-Lombardia, M, Pompeo, F, Boitel, B, Alzari, P.M, TB Structural Genomics Consortium (TBSGC)
Deposit date:2002-10-21
Release date:2003-01-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of the Catalytic Domain of the Pknb Serine/Threonine Kinase from Mycobacterium Tuberculosis
J.Biol.Chem., 278, 2003
4LM5
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BU of 4lm5 by Molmil
Crystal structure of Pim1 in complex with 2-{4-[(3-aminopropyl)amino]quinazolin-2-yl}phenol (resulting from displacement of SKF86002)
Descriptor: 2-{4-[(3-aminopropyl)amino]quinazolin-2-yl}phenol, GLYCEROL, Serine/threonine-protein kinase pim-1
Authors:Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S.
Deposit date:2013-07-10
Release date:2014-02-12
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002.
Acta Crystallogr.,Sect.D, 70, 2014
5OT3
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BU of 5ot3 by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp191 and RKp117
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-08-19
Release date:2018-09-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
6K5L
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BU of 6k5l by Molmil
The crystal structure of isocitrate dehydrogenase kinase/phosphatase wtih two Mn2+ from E. coli
Descriptor: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, Isocitrate dehydrogenase kinase/phosphatase, ...
Authors:Zhang, X, Lei, Z, Zheng, J, Jia, Z.
Deposit date:2019-05-29
Release date:2019-07-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Characterization of metal binding of bifunctional kinase/phosphatase AceK and implication in activity modulation.
Sci Rep, 9, 2019
2MCV
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BU of 2mcv by Molmil
Solid-state NMR structure of piscidin 1 in aligned 1:1 phosphatidylethanolamine/phosphoglycerol lipid bilayers
Descriptor: Moronecidin
Authors:Fu, R, Tian, Y, Perrin Jr, B.S, Grant, C.V, Hayden, R.M, Pastor, R.W, Cotten, M.L.
Deposit date:2013-08-27
Release date:2014-01-22
Last modified:2024-10-30
Method:SOLID-STATE NMR
Cite:High-resolution structures and orientations of antimicrobial peptides piscidin 1 and piscidin 3 in fluid bilayers reveal tilting, kinking, and bilayer immersion.
J.Am.Chem.Soc., 136, 2014
4LMU
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BU of 4lmu by Molmil
Crystal structure of Pim1 in complex with the inhibitor Quercetin (resulting from displacement of SKF86002)
Descriptor: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, GLYCEROL, Serine/threonine-protein kinase pim-1
Authors:Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S.
Deposit date:2013-07-11
Release date:2014-02-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002.
Acta Crystallogr.,Sect.D, 70, 2014
4LL5
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BU of 4ll5 by Molmil
Crystal Structure of Pim-1 in complex with the fluorescent compound SKF86002
Descriptor: 6-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole, CALCIUM ION, GLYCEROL, ...
Authors:Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S.
Deposit date:2013-07-09
Release date:2014-02-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002.
Acta Crystallogr.,Sect.D, 70, 2014
2MCU
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BU of 2mcu by Molmil
Solid-state NMR structure of piscidin 1 in aligned 3:1 phosphatidylcholine/phosphoglycerol lipid bilayers
Descriptor: Moronecidin
Authors:Fu, R, Tian, Y, Perrin Jr, B.S, Grant, C.V, Pastor, R.W, Cotten, M.L.
Deposit date:2013-08-27
Release date:2014-01-22
Last modified:2014-03-19
Method:SOLID-STATE NMR
Cite:High-resolution structures and orientations of antimicrobial peptides piscidin 1 and piscidin 3 in fluid bilayers reveal tilting, kinking, and bilayer immersion.
J.Am.Chem.Soc., 136, 2014
7KLV
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BU of 7klv by Molmil
Full-length human mitochondrial Hsp90 (TRAP1) SpyCatcher/SpyTag-SdhB heterodimer in the presence of AMP-PNP
Descriptor: Heat shock protein 75 kDa, mitochondrial, SpyCatcher, ...
Authors:Liu, Y.X, Agard, D.A.
Deposit date:2020-11-01
Release date:2021-11-03
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM analysis of human mitochondrial Hsp90 in multiple tetrameric states
To Be Published
5X3F
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BU of 5x3f by Molmil
Crystal structure of the YgjG-Protein A-Zpa963-PKA catalytic domain
Descriptor: Putrescine aminotransferase,Immunoglobulin G-binding protein A, Zpa963,cAMP-dependent protein kinase catalytic subunit alpha
Authors:Youn, S.J, Kwon, N.Y, Lee, J.H, Kim, J.H, Lee, H, Lee, J.O.
Deposit date:2017-02-05
Release date:2017-06-28
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.38 Å)
Cite:Construction of novel repeat proteins with rigid and predictable structures using a shared helix method.
Sci Rep, 7, 2017
5KF4
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BU of 5kf4 by Molmil
Crystal structure of FN3 domain (Residues P368-P466) of Human collagen XX
Descriptor: Collagen alpha-1(XX) chain
Authors:Xie, Y, Cheng, Z, Zhao, J.
Deposit date:2016-06-12
Release date:2016-07-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the second fibronectin type III (FN3) domain from human collagen alpha 1 type XX
Acta Crystallogr F Struct Biol Commun, 73, 2017
2R7K
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BU of 2r7k by Molmil
Crystal structure of FAICAR synthetase (PurP) from M. jannaschii complexed with AMPPCP and AICAR
Descriptor: 5-formaminoimidazole-4-carboxamide-1-(beta)-D-ribofuranosyl 5'-monophosphate synthetase, AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, CHLORIDE ION, ...
Authors:Zhang, Y, White, R.H, Ealick, S.E.
Deposit date:2007-09-09
Release date:2007-12-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure and function of 5-formaminoimidazole-4-carboxamide ribonucleotide synthetase from Methanocaldococcus jannaschii.
Biochemistry, 47, 2008
7NN0
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BU of 7nn0 by Molmil
Crystal structure of the SARS-CoV-2 helicase in complex with AMP-PNP
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SARS-CoV-2 helicase NSP13, ...
Authors:Newman, J.A, Yosaatmadja, Y, Douangamath, A, Bountra, C, Gileadi, O.
Deposit date:2021-02-23
Release date:2021-03-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
5NVD
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BU of 5nvd by Molmil
Crystal structure of hexameric CBS-CP12 protein from bloom-forming cyanobacteria at 2.5 A resolution in P6322 crystal form
Descriptor: CBS-CP12
Authors:Hackenberg, C, Hakanpaa, J, Eigner, C, Antonyuk, S.V, Dittmann, E, Lamzin, V.S.
Deposit date:2017-05-04
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and functional insights into the unique CBS-CP12 fusion protein family in cyanobacteria.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7N11
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BU of 7n11 by Molmil
Crystal structure of the M. abscessus LeuRS editing domain in complex with epetraborole-AMP adduct
Descriptor: Leucine--tRNA ligase, SULFATE ION
Authors:Kalthoff, E, Schmeing, M.
Deposit date:2021-05-26
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Efficacy of epetraborole against Mycobacterium abscessus is increased with norvaline.
Plos Pathog., 17, 2021

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数据于2024-11-06公开中

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