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4YY2
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Computationally designed left-handed alpha/alpha toroid with 3 repeats in space group P212121
分子名称: SODIUM ION, dTor_3x33L
著者Hallinan, J.P, Bradley, P, Stoddard, B.L.
登録日2015-03-23
公開日2015-12-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.854 Å)
主引用文献Rational design of alpha-helical tandem repeat proteins with closed architectures.
Nature, 528, 2015
4Z46
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BU of 4z46 by Molmil
X-ray structure of the bis-platinum lysozyme adduct formed in the reaction between the protein and the two drugs Cisplatin and Oxaliplatin
分子名称: 1,2-ETHANEDIOL, CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II), Cisplatin, ...
著者Merlino, A.
登録日2015-04-01
公開日2015-05-27
最終更新日2015-06-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Oxaliplatin vs. cisplatin: competition experiments on their binding to lysozyme.
Dalton Trans, 44, 2015
2Q8B
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BU of 2q8b by Molmil
Structure of the malaria antigen AMA1 in complex with a growth-inhibitory antibody
分子名称: 1F9 heavy chain, 1F9 light chain, Apical membrane antigen 1
著者Gupta, A, Murphy, V.J, Anders, R.F, Batchelor, A.H.
登録日2007-06-10
公開日2007-10-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the Malaria Antigen AMA1 in Complex with a Growth-Inhibitory Antibody
Plos Pathog., 3, 2007
2Q8Y
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Structural insight into the enzymatic mechanism of the phophothreonine lyase
分子名称: 27.5 kDa virulence protein, Mitogen-activated protein kinase 7
著者Zhu, Y.-Q, Wang, D.-C, Shao, F.
登録日2007-06-12
公開日2007-12-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insights into the enzymatic mechanism of the pathogenic MAPK phosphothreonine lyase
Mol.Cell, 28, 2007
4ZFI
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BU of 4zfi by Molmil
Structure of Mdm2 with low molecular weight inhibitor
分子名称: (5S)-3,5-bis(4-chlorobenzyl)-4-(6-chloro-1H-indol-3-yl)-5-hydroxy-1-methyl-1,5-dihydro-2H-pyrrol-2-one, E3 ubiquitin-protein ligase Mdm2
著者Zak, K.M, Twarda-Clapa, A, Wrona, E.M, Grudnik, P, Dubin, G, Holak, T.A.
登録日2015-04-21
公開日2016-10-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Unique Mdm2-Binding Mode of the 3-Pyrrolin-2-one- and 2-Furanone-Based Antagonists of the p53-Mdm2 Interaction.
ACS Chem. Biol., 11, 2016
3VG0
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BU of 3vg0 by Molmil
Antibody Fab fragment
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Monoclonal antibody 9F8 Fab fragment H chain, ...
著者Carpenter, B, Hemsworth, G.R, Ross, R.J, Artymiuk, P.J.
登録日2012-01-10
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structure of the human obesity receptor leptin-binding domain reveals the mechanism of leptin antagonism by a monoclonal antibody.
Structure, 20, 2012
2Q1A
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2-keto-3-deoxy-D-arabinonate dehydratase complexed with magnesium and 2-oxobutyrate
分子名称: 2-KETOBUTYRIC ACID, 2-keto-3-deoxy-D-arabinonate dehydratase, MAGNESIUM ION
著者Barends, T, Brouns, S, Worm, P, Akerboom, J, Turnbull, A, Salmon, L.
登録日2007-05-24
公開日2008-04-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural insight into substrate binding and catalysis of a novel 2-keto-3-deoxy-D-arabinonate dehydratase illustrates common mechanistic features of the FAH superfamily.
J.Mol.Biol., 379, 2008
3VEK
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BU of 3vek by Molmil
Both Zn Fingers of GATA1 Bound to Palindromic DNA Recognition Site, P1 Crystal Form
分子名称: DNA (5'-D(*AP*AP*GP*AP*GP*TP*CP*CP*AP*TP*CP*TP*GP*AP*TP*AP*AP*GP*AP*C)-3'), DNA (5'-D(*TP*TP*GP*TP*CP*TP*TP*AP*TP*CP*AP*GP*AP*TP*GP*GP*AP*CP*TP*C)-3'), Erythroid transcription factor, ...
著者Jacques, D.A, Ripin, N, Wilkinson-White, L.E, Guss, J.M, Matthews, J.M.
登録日2012-01-09
公開日2013-01-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献GATA1 directly mediates interactions with closely spaced pseudopalindromic but not distantly spaced double GATA sites on DNA.
Protein Sci., 24, 2015
6MKX
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BU of 6mkx by Molmil
Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) R77A mutant from Salmonella typhimurium
分子名称: Lysine/arginine/ornithine-binding periplasmic protein
著者Romero-Romero, S, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A.
登録日2018-09-26
公開日2019-08-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.284 Å)
主引用文献The interplay of protein-ligand and water-mediated interactions shape affinity and selectivity in the LAO binding protein.
Febs J., 287, 2020
6MLE
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BU of 6mle by Molmil
Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) from Salmonella typhimurium complexed with arginine
分子名称: ACETATE ION, ARGININE, Lysine/arginine/ornithine-binding periplasmic protein
著者Romero-Romero, S, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A.
登録日2018-09-27
公開日2019-08-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.858 Å)
主引用文献The interplay of protein-ligand and water-mediated interactions shape affinity and selectivity in the LAO binding protein.
Febs J., 287, 2020
1LTM
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BU of 1ltm by Molmil
ACCELERATED X-RAY STRUCTURE ELUCIDATION OF A 36 KDA MURAMIDASE/TRANSGLYCOSYLASE USING WARP
分子名称: 1,2-ETHANEDIOL, 36 KDA SOLUBLE LYTIC TRANSGLYCOSYLASE, BICINE, ...
著者Van Asselt, E.J, Dijkstra, B.W.
登録日1997-09-26
公開日1998-11-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Accelerated X-ray structure elucidation of a 36 kDa muramidase/transglycosylase using wARP.
Acta Crystallogr.,Sect.D, 54, 1998
4ZAU
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AZD9291 complex with wild type EGFR
分子名称: Epidermal growth factor receptor, N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
著者Squire, C.J, Yosaatmadja, Y, Flanagan, J.U, McKeage, M.
登録日2015-04-14
公開日2015-11-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Binding mode of the breakthrough inhibitor AZD9291 to epidermal growth factor receptor revealed.
J.Struct.Biol., 192, 2015
6MKW
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Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) D11A mutant from Salmonella typhimurium complexed with histidine
分子名称: GLYCEROL, HISTIDINE, Lysine/arginine/ornithine transport protein
著者Romero-Romero, S, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A.
登録日2018-09-26
公開日2019-08-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献The interplay of protein-ligand and water-mediated interactions shape affinity and selectivity in the LAO binding protein.
Febs J., 287, 2020
6MLG
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BU of 6mlg by Molmil
Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) R77A mutant from Salmonella typhimurium complexed with arginine
分子名称: ACETATE ION, ARGININE, Lysine/arginine/ornithine-binding periplasmic protein, ...
著者Romero-Romero, S, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A.
登録日2018-09-27
公開日2019-08-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.892 Å)
主引用文献The interplay of protein-ligand and water-mediated interactions shape affinity and selectivity in the LAO binding protein.
Febs J., 287, 2020
4A4W
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Ligand binding domain of human PPAR gamma in complex with amorfrutin B
分子名称: AMORFRUTIN B, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA
著者de Groot, J.C, Weidner, C, Krausze, J, Kawamoto, K, Schroeder, F.C, Sauer, S, Buessow, K.
登録日2011-10-20
公開日2012-10-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Characterization of Amorfrutins Bound to the Peroxisome Proliferator-Activated Receptor Gamma.
J.Med.Chem., 56, 2013
2QX3
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BU of 2qx3 by Molmil
Structure of pectate lyase II from Xanthomonas campestris pv. campestris str. ATCC 33913
分子名称: PHOSPHATE ION, Pectate lyase II
著者Garron, M.L, Shaya, D.
登録日2007-08-10
公開日2008-03-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A seductive method to improve the thermostability and activity of an enzyme
To be Published
6MLD
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BU of 6mld by Molmil
Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) F52A mutant from Salmonella typhimurium
分子名称: ACETATE ION, Lysine/arginine/ornithine-binding periplasmic protein
著者Romero-Romero, S, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A.
登録日2018-09-27
公開日2019-08-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献The interplay of protein-ligand and water-mediated interactions shape affinity and selectivity in the LAO binding protein.
Febs J., 287, 2020
2QCB
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BU of 2qcb by Molmil
T7-tagged full-length streptavidin complexed with ruthenium ligand
分子名称: N-(4-{[(2-AMINOETHYL)AMINO]SULFONYL}PHENYL)-5-[(3AS,4S,6AR)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANAMIDE-(1,2,3,4,5,6-ETA)-BENZENE-CHLORO-RUTHENIUM(III), Streptavidin
著者Le Trong, I, Creus, M, Pordea, A, Ward, T.R, Stenkamp, R.E.
登録日2007-06-19
公開日2008-04-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献X-ray structure and designed evolution of an artificial transfer hydrogenase
Angew.Chem.Int.Ed.Engl., 47, 2008
2QF5
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High resolution structure of the major periplasmic domain from the cell shape-determining filament MreC (monoclinic form)
分子名称: Cell shape determining protein MreC
著者Lovering, A.L, Strynadka, N.C.J.
登録日2007-06-26
公開日2007-08-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献High-resolution Structure of the Major Periplasmic Domain from the Cell Shape-determining Filament MreC.
J.Mol.Biol., 372, 2007
2QHX
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Structure of Pteridine Reductase from Leishmania major complexed with a ligand
分子名称: IODIDE ION, METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Gibellini, F, Mcluskey, K, Tulloch, L, Hunter, W.N.
登録日2007-07-03
公開日2007-12-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Discovery of potent pteridine reductase inhibitors to guide antiparasite drug development.
Proc.Natl.Acad.Sci.USA, 105, 2008
2QKW
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BU of 2qkw by Molmil
Structural basis for activation of plant immunity by bacterial effector protein AvrPto
分子名称: Avirulence protein, Protein kinase
著者Xing, W.M, Zou, Y, Liu, Q, Hao, Q, Zhou, J.M, Chai, J.J.
登録日2007-07-11
公開日2007-08-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The structural basis for activation of plant immunity by bacterial effector protein AvrPto
Nature, 449, 2007
2QY1
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pectate lyase A31G/R236F from Xanthomonas campestris
分子名称: PHOSPHATE ION, Pectate lyase II
著者Garron, M.L, Shaya, D.
登録日2007-08-13
公開日2008-02-26
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Improvement of the thermostability and activity of a pectate lyase by single amino acid substitutions, using a strategy based on melting-temperature-guided sequence alignment.
Appl.Environ.Microbiol., 74, 2008
2QZL
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Crystal Structure of human Beta Secretase complexed with IXS
分子名称: Beta-secretase 1, N-[(1S)-1-benzyl-2-{[(1S)-2-(isobutylamino)-1-methyl-2-oxoethyl]amino}ethyl]-N'-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]isophthalamide
著者Munshi, S.
登録日2007-08-16
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献BACE-1 inhibition by a series of psi[CH2NH] reduced amide isosteres
Bioorg.Med.Chem.Lett., 16, 2006
4AA7
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E.coli GlmU in complex with an antibacterial inhibitor
分子名称: BIFUNCTIONAL PROTEIN GLMU, N-(2,4-dimethoxy-5-{[(2R)-2-methyl-2,3-dihydro-1H-indol-1-yl]sulfonyl}phenyl)acetamide, SULFATE ION
著者Otterbein, L, Breed, J, Ogg, D.J.
登録日2011-11-30
公開日2012-08-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibitors of Acetyltransferase Domain of N-Acetylglucosamine-1-Phosphate-Uridyltransferase/ Glucosamine-1-Phosphate-Acetyltransferase (Glmu). Part 1: Hit to Lead Evaluation of a Novel Arylsulfonamide Series.
Bioorg.Med.Chem.Lett., 22, 2012
6NX7
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ECAII(D90T,K162T) MUTANT IN COMPLEX WITH CITRATE AT PH 5.6
分子名称: ACETIC ACID, CITRIC ACID, L-asparaginase 2
著者Lubkowski, J, Wlodawer, A.
登録日2019-02-08
公開日2019-08-07
最終更新日2020-08-19
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Opportunistic complexes of E. coli L-asparaginases with citrate anions.
Sci Rep, 9, 2019

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