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5IV0
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BU of 5iv0 by Molmil
Crystal structure of Eis from Mycobacterium tuberculosis in complex with sulfonamide inhibitor 39 and coenzyme A
分子名称: CHLORIDE ION, COENZYME A, Enhanced intracellular survival protein, ...
著者Gajadeera, C.S, Hou, C, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2016-03-18
公開日2017-01-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Sulfonamide-Based Inhibitors of Aminoglycoside Acetyltransferase Eis Abolish Resistance to Kanamycin in Mycobacterium tuberculosis.
J. Med. Chem., 59, 2016
7KOD
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BU of 7kod by Molmil
Cryo-EM structure of heavy chain mouse apoferritin
分子名称: Ferritin heavy chain
著者Sun, M, Azumaya, C, Tse, E, Frost, A, Southworth, D, Verba, K.A, Cheng, Y, Agard, D.A.
登録日2020-11-08
公開日2020-12-16
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (1.655 Å)
主引用文献Practical considerations for using K3 cameras in CDS mode for high-resolution and high-throughput single particle cryo-EM.
J.Struct.Biol., 213, 2021
5KEZ
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BU of 5kez by Molmil
Selective and potent inhibition of the glycosidase human amylase by the short and extremely compact peptide piHA from mRNA display
分子名称: ACE-DTY-PRO-TYR-SER-CYS-TRP-VAL-ARG-HIS-NH2, CALCIUM ION, CHLORIDE ION, ...
著者Caner, S, Brayer, G.D.
登録日2016-06-10
公開日2017-03-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Rapid Discovery of Potent and Selective Glycosidase-Inhibiting De Novo Peptides.
Cell Chem Biol, 24, 2017
5KIT
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BU of 5kit by Molmil
Crystal Structure of Nicotinamide Phosphoribosyltransferase (Nampt) in Complex with Inhibitors 37
分子名称: 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION, ...
著者Li, D, Wang, W.
登録日2016-06-17
公開日2016-08-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Minimizing CYP2C9 Inhibition of Exposed-Pyridine NAMPT (Nicotinamide Phosphoribosyltransferase) Inhibitors.
J.Med.Chem., 59, 2016
7KP1
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BU of 7kp1 by Molmil
CD1a-42:2 SM binary complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-2-microglobulin, T-cell surface glycoprotein CD1a, ...
著者Wegrecki, M, Le Nours, J, Rossjohn, J.
登録日2020-11-10
公開日2021-05-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献CD1a selectively captures endogenous cellular lipids that broadly block T cell response.
J.Exp.Med., 218, 2021
7KP0
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BU of 7kp0 by Molmil
CD1a-42:1 SM binary complex
分子名称: (4R,7S)-4-hydroxy-7-[(1S,2E)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-4,9-dioxo-3,5-dioxa-8-aza-4lambda~5~-phosphadotriacontan-1-aminium, 1,2-ETHANEDIOL, Beta-2-microglobulin, ...
著者Wegrecki, M, Le Nours, J, Rossjohn, J.
登録日2020-11-10
公開日2021-05-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献CD1a selectively captures endogenous cellular lipids that broadly block T cell response.
J.Exp.Med., 218, 2021
7KOZ
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BU of 7koz by Molmil
CD1a-36:2 SM binary complex
分子名称: (4S,7S,17Z)-4-hydroxy-7-[(1S,2E)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-4,9-dioxo-3,5-dioxa-8-aza-4lambda~5~-phosphahexacos-17-en-1-aminium, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wegrecki, M, Le Nours, J, Rossjohn, J.
登録日2020-11-10
公開日2021-05-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献CD1a selectively captures endogenous cellular lipids that broadly block T cell response.
J.Exp.Med., 218, 2021
1PM7
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BU of 1pm7 by Molmil
RmlC (dTDP-6-DEOXY-D-XYLO-4-HEXULOSE 3,5-EPIMERASE)STRUCTURE FROM MYCOBACTERIUM TUBERCULOSIS AND INHIBITOR DESIGN. THE APO STRUCTURE.
分子名称: ACETATE ION, GLYCEROL, RFBC
著者Dong, C, Naismith, J.H, TB Structural Genomics Consortium (TBSGC)
登録日2003-06-10
公開日2003-12-09
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Novel inhibitors of an emerging target in Mycobacterium tuberculosis; substituted thiazolidinones as inhibitors of dTDP-rhamnose synthesis.
Bioorg.Med.Chem.Lett., 13, 2003
4HPV
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BU of 4hpv by Molmil
Crystal structure of S-Adenosylmethionine synthetase from Sulfolobus solfataricus
分子名称: S-adenosylmethionine synthase
著者Wang, F, Hurley, K.A, Helmich, K.E, Singh, S, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2012-10-24
公開日2012-11-14
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.214 Å)
主引用文献Understanding molecular recognition of promiscuity of thermophilic methionine adenosyltransferase sMAT from Sulfolobus solfataricus.
Febs J., 281, 2014
4HOP
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BU of 4hop by Molmil
Crystal structure of the computationally designed NNOS-Syntrophin complex
分子名称: Alpha-1-syntrophin, Nitric oxide synthase, brain
著者Harwood, I.M, Melero, C, Ollikainen, N, Kortemme, T.
登録日2012-10-22
公開日2013-11-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Quantification of the transferability of a designed protein specificity switch reveals extensive epistasis in molecular recognition.
Proc.Natl.Acad.Sci.USA, 111, 2014
4HIY
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BU of 4hiy by Molmil
crystal structure of R34/53A, D95N, H112W mutant of borna disease virus matrix protein
分子名称: Matrix protein, SULFATE ION
著者Dautel, P, Kolenko, P, Stubbs, M.T.
登録日2012-10-12
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献Matrix protein variants provide support for alternative borna disease virus infection pathway
To be Published
4HUH
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BU of 4huh by Molmil
Structure of the bacteriophage T4 tail terminator protein, gp15 (C-terminal truncation mutant 1-261).
分子名称: Tail connector protein Gp15
著者Fokine, A, Zhang, Z, Kanamaru, S, Bowman, V.D, Aksyuk, A, Arisaka, F, Rao, V.B, Rossmann, M.G.
登録日2012-11-02
公開日2013-02-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The molecular architecture of the bacteriophage t4 neck.
J.Mol.Biol., 425, 2013
4IMI
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BU of 4imi by Molmil
Novel Modifications on C-terminal Domain of RNA Polymerase II can Fine- tune the Phosphatase Activity of Ssu72.
分子名称: CG14216, CTD, PHOSPHATE ION, ...
著者Luo, Y, Yogesha, S.D, Zhang, Y.
登録日2013-01-03
公開日2013-08-07
最終更新日2013-10-30
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Novel Modifications on C-terminal Domain of RNA Polymerase II Can Fine-tune the Phosphatase Activity of Ssu72.
Acs Chem.Biol., 8, 2013
6AX2
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BU of 6ax2 by Molmil
Solution structure of Magi3 a specific insect toxin from the spider Macrothele gigas
分子名称: Mu-hexatoxin-Mg2a
著者del Rio-Portilla, F, Titaux-Delgado, G.A, Escobedo-Gonzalez, F.C.
登録日2017-09-06
公開日2018-01-10
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Successful refolding and NMR structure of rMagi3: A disulfide-rich insecticidal spider toxin.
Protein Sci., 27, 2018
4IMJ
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BU of 4imj by Molmil
Novel Modifications on C-terminal Domain of RNA Polymerase II can Fine-tune the Phosphatase Activity of Ssu72
分子名称: CG14216, CTD, PHOSPHATE ION, ...
著者Luo, Y, Yogesha, S.D, Zhang, Y.
登録日2013-01-03
公開日2013-08-07
最終更新日2013-10-23
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Novel Modifications on C-terminal Domain of RNA Polymerase II Can Fine-tune the Phosphatase Activity of Ssu72.
Acs Chem.Biol., 8, 2013
6CD7
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BU of 6cd7 by Molmil
Crystal structure of APH(2")-IVa in complex with plazomicin
分子名称: (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-{[(2S,3R)-3-amino-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2H-pyran-2-y l]oxy}-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-2-hydroxybutanamide, APH(2'')-Id, CHLORIDE ION
著者Stogios, P.J, Evdokimova, E, Dong, A, Di Leo, R, Savchenko, A, Satchell, K.J, Joachimiak, J, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2018-02-08
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Plazomicin Retains Antibiotic Activity against Most Aminoglycoside Modifying Enzymes.
ACS Infect Dis, 4, 2018
4J8T
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BU of 4j8t by Molmil
Engineered Digoxigenin binder DIG10.2
分子名称: DIGOXIGENIN, Engineered Digoxigenin binder protein DIG10.2
著者Stoddard, B.L, Doyle, L.A.
登録日2013-02-14
公開日2013-06-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Computational design of ligand-binding proteins with high affinity and selectivity.
Nature, 501, 2013
4JVL
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BU of 4jvl by Molmil
Crystal structure of human estrogen sulfotransferase (SULT1E1) in complex with inactive cofactor PAP and estradiol (E2)
分子名称: 1,2-ETHANEDIOL, ADENOSINE-3'-5'-DIPHOSPHATE, ESTRADIOL, ...
著者Gosavi, R.A, Knudsen, G.A, Birnbaum, L.S, Pedersen, L.C.
登録日2013-03-25
公開日2013-09-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.943 Å)
主引用文献Mimicking of Estradiol Binding by Flame Retardants and Their Metabolites: A Crystallographic Analysis.
Environ.Health Perspect., 121, 2013
6CFB
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BU of 6cfb by Molmil
Isolation, Characterization, and Synthesis of the Barrettides: Disulfide-Containing Peptides from the Marine Sponge Geodia barretti
分子名称: barrettide A
著者Rosengren, K.J, Carstens, B.B, Clark, R.J, Goransson, U.
登録日2018-02-14
公開日2018-03-21
最終更新日2020-01-01
実験手法SOLUTION NMR
主引用文献Isolation, Characterization, and Synthesis of the Barrettides: Disulfide-Containing Peptides from the Marine Sponge Geodia barretti.
J. Nat. Prod., 78, 2015
4JTN
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BU of 4jtn by Molmil
Cysteine Dioxygenase at pH 8.0 in the presence of dithionite
分子名称: Cysteine dioxygenase type 1, FE (II) ION
著者Driggers, C.M, Karplus, P.A.
登録日2013-03-23
公開日2013-06-26
最終更新日2013-09-11
実験手法X-RAY DIFFRACTION (1.593 Å)
主引用文献Cysteine Dioxygenase Structures from pH4 to 9: Consistent Cys-Persulfenate Formation at Intermediate pH and a Cys-Bound Enzyme at Higher pH.
J.Mol.Biol., 425, 2013
4JTO
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BU of 4jto by Molmil
Cysteine bound Cysteine Dioxygenase at pH 8.0 in the presence of Cys and dithionite
分子名称: CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION
著者Driggers, C.M, Karplus, P.A.
登録日2013-03-23
公開日2013-06-26
最終更新日2013-09-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Cysteine Dioxygenase Structures from pH4 to 9: Consistent Cys-Persulfenate Formation at Intermediate pH and a Cys-Bound Enzyme at Higher pH.
J.Mol.Biol., 425, 2013
4J9A
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BU of 4j9a by Molmil
Engineered Digoxigenin binder DIG10.3
分子名称: DIGOXIGENIN, Engineered Digoxigenin binder protein DIG10.3
著者Stoddard, B.L, Doyle, L.A.
登録日2013-02-15
公開日2013-06-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Computational design of ligand-binding proteins with high affinity and selectivity.
Nature, 501, 2013
4HEI
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BU of 4hei by Molmil
2A X-RAY STRUCTURE OF HPF from VIBRIO CHOLERAE
分子名称: COBALT (III) ION, RIBOSOME HIBERNATION PROTEIN YHBH, THIOCYANATE ION, ...
著者De Bari, H, Berry, E.A.
登録日2012-10-03
公開日2012-10-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of Vibrio cholerae ribosome hibernation promoting factor.
Acta Crystallogr.,Sect.F, 69, 2013
4GW0
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BU of 4gw0 by Molmil
Crystal structure of arginine kinase in complex with imino-L-ornithine, MgADP, and nitrate.
分子名称: ADENOSINE-5'-DIPHOSPHATE, Arginine kinase, MAGNESIUM ION, ...
著者Clark, S.A, Davulcu, O, Chapman, M.S.
登録日2012-08-31
公開日2012-10-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.448 Å)
主引用文献Crystal structures of arginine kinase in complex with ADP, nitrate, and various phosphagen analogs.
Biochem.Biophys.Res.Commun., 427, 2012
4GW2
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BU of 4gw2 by Molmil
Crystal structure of arginine kinase in complex with L-ornithine, MgADP, and nitrate.
分子名称: ADENOSINE-5'-DIPHOSPHATE, Arginine kinase, L-ornithine, ...
著者Clark, S.A, Davulcu, O, Chapman, M.S.
登録日2012-08-31
公開日2012-10-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.157 Å)
主引用文献Crystal structures of arginine kinase in complex with ADP, nitrate, and various phosphagen analogs.
Biochem.Biophys.Res.Commun., 427, 2012

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