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5FN0
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BU of 5fn0 by Molmil
Crystal structure of Pseudomonas fluorescens kynurenine-3- monooxygenase (KMO) in complex with GSK180
分子名称: 3-(5,6-DICHLORO-2-OXOBENZO[D]OXAZOL-3(2H)-YL)PROPANOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, KYNURENINE 3-MONOOXYGENASE
著者Mole, D.J, Webster, S.P, Uings, I, Zheng, X, Binnie, M, Wilson, K, Hutchinson, J.P, Mirguet, O, Walker, A, Beaufils, B, Ancellin, N, Trottet, L, Beneton, V, Mowat, C.G, Wilkinson, M, Rowland, P, Haslam, C, McBride, A, Homer, N.Z.M, Baily, J.E, Sharp, M.G.F, Garden, O.J, Hughes, J, Howie, S.E.M, Holmes, D, Liddle, J, Iredale, J.P.
登録日2015-11-10
公開日2016-01-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Kynurenine-3-Monooxygenase Inhibition Prevents Multiple Organ Failure in Rodent Models of Acute Pancreatitis.
Nat.Med. (N.Y.), 22, 2016
5FL0
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BU of 5fl0 by Molmil
Structure of a hydrolase with an inhibitor
分子名称: (3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-2-(butylamino)-5-(hydroxymethyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d] [1,3]thiazole-6,7-diol, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Cekic, N, Heinonen, J.E, Stubbs, K.A, Roth, C, McEachern, E.J, Davies, G.J, Vocadlo, D.J.
登録日2015-10-20
公開日2016-08-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Analysis of transition state mimicry by tight binding aminothiazoline inhibitors provides insight into catalysis by humanO-GlcNAcase.
Chem Sci, 7, 2016
5FOY
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BU of 5foy by Molmil
De novo structure of the binary mosquito larvicide BinAB at pH 7
分子名称: 41.9 KDA INSECTICIDAL TOXIN, LARVICIDAL TOXIN 51 KDA PROTEIN
著者Colletier, J.P, Sawaya, M.R, Gingery, M, Rodriguez, J.A, Cascio, D, Brewster, A.S, Michels-Clark, T, Boutet, S, Williams, G.J, Messerschmidt, M, DePonte, D.P, Sierra, R.G, Laksmono, H, Koglin, J.E, Hunter, M.S, W Park, H, Uervirojnangkoorn, M, Bideshi, D.L, Brunger, A.T, Federici, B.A, Sauter, N.K, Eisenberg, D.S.
登録日2015-11-26
公開日2016-10-05
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献De Novo Phasing with X-Ray Laser Reveals Mosquito Larvicide Binab Structure.
Nature, 539, 2016
5FIL
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BU of 5fil by Molmil
Bovine mitochondrial ATP synthase state 3b
分子名称: ATP SYNTHASE F(0) COMPLEX SUBUNIT B1, MITOCHONDRIAL, ATP SYNTHASE F(0) COMPLEX SUBUNIT C1, ...
著者Zhou, A, Rohou, A, Schep, D.G, Bason, J.V, Montgomery, M.G, Walker, J.E, Grigorieff, N, Rubinstein, J.L.
登録日2015-09-28
公開日2015-10-14
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (7.1 Å)
主引用文献Structure and conformational states of the bovine mitochondrial ATP synthase by cryo-EM.
Elife, 4, 2015
5FL1
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BU of 5fl1 by Molmil
Structure of a hydrolase with an inhibitor
分子名称: (3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-5-(hydroxymethyl)-2-(prop-2-enylamino)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d][1,3]thiazole-6,7-diol, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Cekic, N, Heinonen, J.E, Stubbs, K.A, Roth, C, McEachern, E.J, Davies, G.J, Vocadlo, D.J.
登録日2015-10-20
公開日2016-08-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Analysis of transition state mimicry by tight binding aminothiazoline inhibitors provides insight into catalysis by humanO-GlcNAcase.
Chem Sci, 7, 2016
5FUY
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BU of 5fuy by Molmil
catalytic domain of Thymidine kinase from Trypanosoma brucei with dTMP
分子名称: PHOSPHATE ION, THYMDINE KINASE, ZINC ION, ...
著者Timm, J, Valente, M, Castillo-Acosta, V, Balzarini, T, Nettleship, J.E, Rada, H, Wilson, K.S, Gonzalez-Pacanowska, D.
登録日2016-01-31
公開日2016-07-27
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Cell Cycle Regulation and Novel Structural Features of Thymidine Kinase, an Essential Enzyme in Trypanosoma Brucei.
Mol.Microbiol., 102, 2016
1PLK
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BU of 1plk by Molmil
CRYSTALLOGRAPHIC STUDIES ON P21H-RAS USING SYNCHROTRON LAUE METHOD: IMPROVEMENT OF CRYSTAL QUALITY AND MONITORING OF THE GTPASE REACTION AT DIFFERENT TIME POINTS
分子名称: C-H-RAS P21 PROTEIN, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
著者Scheidig, A, Sanchez-Llorente, A, Lautwein, A, Pai, E.F, Corrie, J.E.T, Reid, G.P, Wittinghofer, A, Goody, R.S.
登録日1994-03-13
公開日1994-07-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystallographic studies on p21(H-ras) using the synchrotron Laue method: improvement of crystal quality and monitoring of the GTPase reaction at different time points.
Acta Crystallogr.,Sect.D, 50, 1994
5UHY
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BU of 5uhy by Molmil
A Human Antibody Against Zika Virus Crosslinks the E Protein to Prevent Infection
分子名称: ZV67 Fab chain 1, ZV67 Fab chain 2, envelope protein
著者Hasan, S.S, Miller, A, Sapparapu, G, Fernandez, E, Klose, T, Long, F, Fokine, A, Porta, J.C, Jiang, W, Diamond, M.S, Crowe Jr, J.E, Kuhn, R.J, Rossmann, M.G.
登録日2017-01-12
公開日2017-03-29
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (6.2 Å)
主引用文献A human antibody against Zika virus crosslinks the E protein to prevent infection.
Nat Commun, 8, 2017
8FBP
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BU of 8fbp by Molmil
Glutamine synthetase from Pseudomonas aeruginosa, filament double-unit in compressed conformation
分子名称: Glutamine synthetase
著者Phan, I.Q, Staker, B, Shek, R, Moser, T.H, Evans, J.E, van Voorhis, W.C, Myler, P.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-11-29
公開日2024-02-14
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Glutamine synthetase from Pseudomonas aeruginosa, filament double-unit in compressed conformation
To Be Published
9BT5
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BU of 9bt5 by Molmil
The crystal structure of the HA1 domain of hemagglutinin from A/Shanghai/02/2013 (H7N9) bound to H7-235 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, Monoclonal antibody H7-235 heavy chain, ...
著者Buchman, C.D, Dong, J, Crowe, J.E.
登録日2024-05-14
公開日2025-06-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Pan-H7 influenza human antibody virus neutralization depends on avidity and steric hindrance.
JCI Insight, 2025
8G7M
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BU of 8g7m by Molmil
ATP-bound mtHsp60 V72I focus
分子名称: 60 kDa heat shock protein, mitochondrial, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Braxton, J.R, Shao, H, Tse, E, Gestwicki, J.E, Southworth, D.R.
登録日2023-02-16
公開日2023-07-12
最終更新日2025-06-04
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Asymmetric apical domain states of mitochondrial Hsp60 coordinate substrate engagement and chaperonin assembly.
Biorxiv, 2023
8G7L
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BU of 8g7l by Molmil
ATP-bound mtHsp60 V72I
分子名称: 60 kDa heat shock protein, mitochondrial, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Braxton, J.R, Shao, H, Tse, E, Gestwicki, J.E, Southworth, D.R.
登録日2023-02-16
公開日2023-07-12
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Asymmetric apical domain states of mitochondrial Hsp60 coordinate substrate engagement and chaperonin assembly.
Biorxiv, 2023
8G7O
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BU of 8g7o by Molmil
ATP- and mtHsp10-bound mtHsp60 V72I focus
分子名称: 10 kDa heat shock protein, mitochondrial, 60 kDa heat shock protein, ...
著者Braxton, J.R, Shao, H, Tse, E, Gestwicki, J.E, Southworth, D.R.
登録日2023-02-16
公開日2023-07-12
最終更新日2025-05-28
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Asymmetric apical domain states of mitochondrial Hsp60 coordinate substrate engagement and chaperonin assembly.
Biorxiv, 2023
8G7N
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BU of 8g7n by Molmil
ATP- and mtHsp10-bound mtHsp60 V72I
分子名称: 10 kDa heat shock protein, mitochondrial, 60 kDa heat shock protein, ...
著者Braxton, J.R, Shao, H, Tse, E, Gestwicki, J.E, Southworth, D.R.
登録日2023-02-16
公開日2023-07-12
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Asymmetric apical domain states of mitochondrial Hsp60 coordinate substrate engagement and chaperonin assembly.
Biorxiv, 2023
8G7K
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BU of 8g7k by Molmil
mtHsp60 V72I apo focus
分子名称: 60 kDa heat shock protein, mitochondrial
著者Braxton, J.R, Shao, H, Tse, E, Gestwicki, J.E, Southworth, D.R.
登録日2023-02-16
公開日2023-07-12
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Asymmetric apical domain states of mitochondrial Hsp60 coordinate substrate engagement and chaperonin assembly.
Biorxiv, 2023
8G7J
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BU of 8g7j by Molmil
mtHsp60 V72I apo
分子名称: 60 kDa heat shock protein, mitochondrial
著者Braxton, J.R, Shao, H, Tse, E, Gestwicki, J.E, Southworth, D.R.
登録日2023-02-16
公開日2023-07-12
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Asymmetric apical domain states of mitochondrial Hsp60 coordinate substrate engagement and chaperonin assembly.
Biorxiv, 2023
8G9Q
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BU of 8g9q by Molmil
Tricomplex of Compound-1, KRAS G12C, and CypA
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K.
登録日2023-02-21
公開日2023-08-16
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Chemical remodeling of a cellular chaperone to target the active state of mutant KRAS.
Science, 381, 2023
8FZA
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BU of 8fza by Molmil
Class I type III preQ1 riboswitch from E. coli
分子名称: 7-DEAZA-7-AMINOMETHYL-GUANINE, MANGANESE (II) ION, PreQ1 Riboswitch (30-MER)
著者Wedekind, J.E, Schroeder, G.M, Jenkins, J.L.
登録日2023-01-27
公開日2023-08-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and function analysis of a type III preQ 1 -I riboswitch from Escherichia coli reveals direct metabolite sensing by the Shine-Dalgarno sequence.
J.Biol.Chem., 299, 2023
8G9P
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BU of 8g9p by Molmil
Tricomplex of RMC-4998, KRAS G12C, and CypA
分子名称: (2S)-2-{(5S)-7-[(2E)-4-(dimethylamino)-4-methylpent-2-enoyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl}-N-[(1P,8S,10R,14S,21M)-22-ethyl-21-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]-3-methylbutanamide (non-preferred name), CHLORIDE ION, GTPase KRas, ...
著者Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K.
登録日2023-02-21
公開日2023-08-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Chemical remodeling of a cellular chaperone to target the active state of mutant KRAS.
Science, 381, 2023
8G4J
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BU of 8g4j by Molmil
Crystal structure of Cavia porcellus (guinea pig) importin-alpha 1 in cargo-free state
分子名称: Importin subunit alpha
著者Hawker, J.E, Roby, J.A, Stewart, M, Forwood, J.K.
登録日2023-02-09
公開日2023-02-22
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structure of Cavia porcellus (guinea pig) importin-alpha 1 in cargo-free state
To Be Published
8GAI
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BU of 8gai by Molmil
Cavia porcellus (guinea pig) importin-alpha 1 in complex with Bimax2 peptide
分子名称: Bimax2, Importin subunit alpha
著者Hawker, J.E, Forwood, J.K, Donnelly, C.M, Stewart, M.
登録日2023-02-22
公開日2023-04-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal structure of Cavia porcellus (guinea pig) importin-alpha 1 in complex with bimax2 peptide
To Be Published
8GCK
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BU of 8gck by Molmil
Crystal structure of the human CHIP-TPR domain in complex with a 6mer acetylated tau peptide
分子名称: ACE-SER-ILE-ASP-MET-VAL-ASP, E3 ubiquitin-protein ligase CHIP
著者Wucherer, K, Bohn, M.F, Basu, K, Nadel, C.M, Gestwicki, J.E, Craik, C.S.
登録日2023-03-02
公開日2024-03-06
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.36823535 Å)
主引用文献Intersecting PTMs regulate clearance of pathogenic tau by the ubiquitin ligase CHIP.
To Be Published
4PXU
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BU of 4pxu by Molmil
Structural basis for the assembly of the mitotic motor kinesin-5 into bipolar tetramers
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Bipolar kinesin KRP-130
著者Scholey, J.E, Nithianantham, S, Scholey, J.M, Al-Bassam, J.
登録日2014-03-25
公開日2014-04-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Structural basis for the assembly of the mitotic motor Kinesin-5 into bipolar tetramers.
Elife, 3, 2014
4Q3P
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BU of 4q3p by Molmil
Crystal structure of Schistosoma mansoni arginase
分子名称: Arginase, GLYCEROL, MANGANESE (II) ION
著者Hai, Y, Edwards, J.E, Van Zandt, M.C, Hoffmann, K.F, Christianson, D.W.
登録日2014-04-12
公開日2014-07-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Crystal Structure of Schistosoma mansoni Arginase, a Potential Drug Target for the Treatment of Schistosomiasis.
Biochemistry, 53, 2014
4Q3V
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BU of 4q3v by Molmil
Crystal structure of Schistosoma mansoni arginase in complex with inhibitor BEC
分子名称: Arginase, GLYCEROL, MANGANESE (II) ION, ...
著者Hai, Y, Edwards, J.E, Van Zandt, M.C, Hoffmann, K.F, Christianson, D.W.
登録日2014-04-12
公開日2014-07-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structure of Schistosoma mansoni Arginase, a Potential Drug Target for the Treatment of Schistosomiasis.
Biochemistry, 53, 2014

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