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4Y6S
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BU of 4y6s by Molmil
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC134, and manganese
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, MANGANESE (II) ION, ...
著者Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
登録日2015-02-13
公開日2015-04-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Synthesis and Bioactivity of beta-Substituted Fosmidomycin Analogues Targeting 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase.
J.Med.Chem., 58, 2015
1X8I
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Crystal Structure of the Zinc Carbapenemase CphA in Complex with the Antibiotic Biapenem
分子名称: 5H-PYRAZOLO(1,2-A)(1,2,4)TRIAZOL-4-IUM, 6-((2-CARBOXY-6-(1-HYDROXYETHYL)-4-METHYL-7-OXO-1-AZABICYCLO(3.2.0)HEPT-2-EN-3-YL)THIO)-6,7-DIHYDRO-, HYDROXIDE, ...
著者Garau, G, Dideberg, O.
登録日2004-08-18
公開日2004-12-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Metallo-beta-lactamase Enzyme in Action: Crystal Structures of the Monozinc Carbapenemase CphA and its Complex with Biapenem
J.Mol.Biol., 345, 2005
1X8G
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BU of 1x8g by Molmil
Crystal Structure of the Mono-Zinc Carbapenemase CphA from Aeromonas Hydrophyla
分子名称: Beta-lactamase, CARBONATE ION, SULFATE ION, ...
著者Garau, G, Dideberg, O.
登録日2004-08-18
公開日2004-12-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A Metallo-beta-lactamase Enzyme in Action: Crystal Structures of the Monozinc Carbapenemase CphA and its Complex with Biapenem
J.Mol.Biol., 345, 2005
8AGG
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BU of 8agg by Molmil
Structure of the Legionella phosphocholine hydrolase Lem3
分子名称: MAGNESIUM ION, Phosphocholine hydrolase Lem3
著者Kaspers, M.S, Itzen, A, Pogenberg, V.
登録日2022-07-20
公開日2023-04-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Dephosphocholination by Legionella effector Lem3 functions through remodelling of the switch II region of Rab1b.
Nat Commun, 14, 2023
8ANP
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Legionella effector Lem3 mutant D190A in complex with Mg2+
分子名称: MAGNESIUM ION, Phosphocholine hydrolase Lem3, SULFATE ION, ...
著者Kaspers, M.S, Pogenberg, V, Ernst, S, Ecker, F, Pett, C, Ochtrop, P, Hedberg, C, Groll, M, Itzen, A.
登録日2022-08-05
公開日2023-04-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Dephosphocholination by Legionella effector Lem3 functions through remodelling of the switch II region of Rab1b.
Nat Commun, 14, 2023
8ALK
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BU of 8alk by Molmil
Structure of the Legionella phosphocholine hydrolase Lem3 in complex with its substrate Rab1
分子名称: 2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxyethyl-[3-(2-chloranylethanoylamino)propyl]-dimethyl-azanium, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Kaspers, M.S, Pett, C, Hedberg, C, Itzen, A, Pogenberg, V.
登録日2022-08-01
公開日2023-04-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Dephosphocholination by Legionella effector Lem3 functions through remodelling of the switch II region of Rab1b.
Nat Commun, 14, 2023
1PYY
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BU of 1pyy by Molmil
Double mutant PBP2x T338A/M339F from Streptococcus pneumoniae strain R6 at 2.4 A resolution
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 6-O-octanoyl-beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, Penicillin-binding protein 2X, ...
著者Chesnel, L, Pernot, L, Lemaire, D, Champelovier, D, Croize, J, Dideberg, O, Vernet, T, Zapun, A.
登録日2003-07-09
公開日2003-09-30
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献The Structural Modifications Induced by the M339F Substitution in PBP2x from Streptococcus pneumoniae Further Decreases the Susceptibility to beta-Lactams of Resistant Strains
J.Biol.Chem., 278, 2003
5H47
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Crystal structure of AOL complexed with 2-MeSe-Fuc
分子名称: Uncharacterized protein, methyl 6-deoxy-2-Se-methyl-2-seleno-alpha-L-galactopyranoside
著者Kato, R, Nishikawa, Y, Makyio, H.
登録日2016-10-31
公開日2017-01-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Synthesis of seleno-fucose compounds and their application to the X-ray structural determination of carbohydrate-lectin complexes using single/multi-wavelength anomalous dispersion phasing
Bioorg. Med. Chem., 25, 2017
2X9J
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BU of 2x9j by Molmil
Structure of the Mutant D206N of Phycoerythrobilin Synthase PebS from the Cyanophage P-SSM2 in complex with bound substrate Biliverdin IXA
分子名称: BILIVERDINE IX ALPHA, PHYCOERYTHROBILIN SYNTHASE
著者Busch, A.W.U, Frankenberg-Dinkel, N, Hofmann, E.
登録日2010-03-21
公開日2010-11-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Radical Mechanism of Cyanophage Phycoerythrobilin Synthase (Pebs).
Biochem.J., 433, 2011
4Y67
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BU of 4y67 by Molmil
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC176, and manganese
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, MANGANESE (II) ION, ...
著者Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
登録日2015-02-12
公開日2015-04-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Synthesis and Bioactivity of beta-Substituted Fosmidomycin Analogues Targeting 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase.
J.Med.Chem., 58, 2015
4Y6P
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BU of 4y6p by Molmil
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC177, and manganese
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, CALCIUM ION, ...
著者Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
登録日2015-02-13
公開日2015-04-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Synthesis and Bioactivity of beta-Substituted Fosmidomycin Analogues Targeting 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase.
J.Med.Chem., 58, 2015
6YX5
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BU of 6yx5 by Molmil
Structure of DrrA from Legionella pneumophilia in complex with human Rab8a
分子名称: MAGNESIUM ION, Multifunctional virulence effector protein DrrA, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Schneider, S, Du, J, von Wrisberg, M.K, Lang, K, Itzen, A.
登録日2020-04-30
公開日2020-12-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Rab1-AMPylation by Legionella DrrA is allosterically activated by Rab1.
Nat Commun, 12, 2021
8B5V
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BU of 8b5v by Molmil
Crystal Structure of Trypanosoma Cruzi phosphomannosemutase
分子名称: MAGNESIUM ION, PHOSPHATE ION, Phosphomannomutase
著者Robinson, D.A, Ferguson, M.A.J.
登録日2022-09-24
公開日2022-10-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of Trypanosoma Cruzi phosphomannosemutase
To Be Published
5MWP
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BU of 5mwp by Molmil
The structure of MR in complex with AZD9977.
分子名称: 2-[(3~{S})-7-fluoranyl-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{N}-methyl-ethanamide, Mineralocorticoid receptor, NCOA1 peptide
著者Edman, K, Aagaard, A, Backstrom, S.
登録日2017-01-19
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Preclinical pharmacology of AZD9977: A novel mineralocorticoid receptor modulator separating organ protection from effects on electrolyte excretion.
PLoS ONE, 13, 2018
5MWY
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BU of 5mwy by Molmil
The structure of MR in complex with eplerenone.
分子名称: Mineralocorticoid receptor, NCOA1, eplerenone
著者Edman, K, Aagaard, A, Backstrom, S.
登録日2017-01-20
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Preclinical pharmacology of AZD9977: A novel mineralocorticoid receptor modulator separating organ protection from effects on electrolyte excretion.
PLoS ONE, 13, 2018
4EAL
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BU of 4eal by Molmil
Co-crystal of AMPK core with ATP soaked with AMP
分子名称: 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ...
著者Chen, L, Wang, J, Zhang, Y.-Y, Yan, S.F, Neumann, D, Schlattner, U, Wang, Z.-X, Wu, J.-W.
登録日2012-03-22
公開日2012-06-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.506 Å)
主引用文献AMP-activated protein kinase undergoes nucleotide-dependent conformational changes
Nat.Struct.Mol.Biol., 19, 2012
1AXS
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BU of 1axs by Molmil
MATURE OXY-COPE CATALYTIC ANTIBODY WITH HAPTEN
分子名称: (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-5-PHENYL-1-CYCLOHEXANOL, CADMIUM ION, OXY-COPE CATALYTIC ANTIBODY
著者Mundorff, E.C, Ulrich, H.D, Stevens, R.C.
登録日1997-10-20
公開日1998-02-04
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The interplay between binding energy and catalysis in the evolution of a catalytic antibody.
Nature, 389, 1997
8B8Y
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BU of 8b8y by Molmil
Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 7e)
分子名称: 4,5-bis(chloranyl)-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma
著者Holton, S.J, Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J.
登録日2022-10-05
公開日2022-12-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
2VHK
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BU of 2vhk by Molmil
Atomic resolution (0.94 A) structure of purified thaumatin I grown in sodium L-tartrate at 22C
分子名称: GLYCEROL, L(+)-TARTARIC ACID, THAUMATIN-I
著者Jakoncic, J, Asherie, N, Ginsberg, C.
登録日2007-11-21
公開日2009-02-10
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (0.94 Å)
主引用文献Tartrate Chirality Determines Thaumatin Crystal Habit
Cryst.Growth Des., 9, 2009
5MG3
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BU of 5mg3 by Molmil
EM fitted model of bacterial holo-translocon
分子名称: Membrane protein insertase YidC, Protein translocase subunit SecD, Protein translocase subunit SecE, ...
著者Schaffitzel, C, Botte, M.
登録日2016-11-20
公開日2016-12-28
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (14 Å)
主引用文献A central cavity within the holo-translocon suggests a mechanism for membrane protein insertion.
Sci Rep, 6, 2016
8BHD
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BU of 8bhd by Molmil
N-terminal domain of Plasmodium berghei glutamyl-tRNA synthetase (Tbxo4 derivative crystal structure)
分子名称: GLYCEROL, Glutamate--tRNA ligase, SULFATE ION, ...
著者Benas, P, Jaramillo Ponce, J.R, Legrand, P, Frugier, M, Sauter, C.
登録日2022-10-31
公開日2023-01-25
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献Solution X-ray scattering highlights discrepancies in Plasmodium multi-aminoacyl-tRNA synthetase complexes.
Protein Sci., 32, 2023
1BQ3
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BU of 1bq3 by Molmil
SACCHAROMYCES CEREVISIAE PHOSPHOGLYCERATE MUTASE IN COMPLEX WITH INOSITOL HEXAKISPHOSPHATE
分子名称: INOSITOL HEXAKISPHOSPHATE, PROTEIN (PHOSPHOGLYCERATE MUTASE 1), SULFATE ION
著者Rigden, D.J, Phillips, S.E.V, Fothergill-Gilmore, L.A.
登録日1998-08-20
公開日1998-08-26
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Polyanionic inhibitors of phosphoglycerate mutase: combined structural and biochemical analysis.
J.Mol.Biol., 289, 1999
1GFI
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BU of 1gfi by Molmil
STRUCTURES OF ACTIVE CONFORMATIONS OF GI ALPHA 1 AND THE MECHANISM OF GTP HYDROLYSIS
分子名称: GUANINE NUCLEOTIDE-BINDING PROTEIN G, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Coleman, D.E, Berghuis, A.M, Sprang, S.R.
登録日1994-11-11
公開日1995-03-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of active conformations of Gi alpha 1 and the mechanism of GTP hydrolysis.
Science, 265, 1994
5LYO
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BU of 5lyo by Molmil
Crystal structure of the zymogen matriptase catalytic domain
分子名称: SULFATE ION, Suppressor of tumorigenicity 14 protein
著者Hong, Z, Jensen, J.K.
登録日2016-09-28
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.498 Å)
主引用文献Blocking the proteolytic activity of zymogen matriptase with antibody-based inhibitors.
J.Biol.Chem., 294, 2019
5LEK
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BU of 5lek by Molmil
The Transcriptional Regulator PrfA-G145S mutant from Listeria Monocytogenes in complex with a 30-bp operator PrfA-box motif
分子名称: DNA (30-MER), Listeriolysin regulatory protein
著者Hall, M, Grundstrom, C, Begum, A, Lindberg, M, Sauer, U.H, Almqvist, F, Johansson, J, Sauer-Eriksson, A.E.
登録日2016-06-29
公開日2016-12-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for glutathione-mediated activation of the virulence regulatory protein PrfA in Listeria.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016

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