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3G77
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Bacterial cytosine deaminase V152A/F316C/D317G mutant
分子名称: Cytosine deaminase, FE (III) ION
著者Stoddard, B, Zhao, L.
登録日2009-02-09
公開日2009-09-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Bacterial cytosine deaminase mutants created by molecular engineering show improved 5-fluorocytosine-mediated cell killing in vitro and in vivo.
Cancer Res., 69, 2009
6K1N
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BU of 6k1n by Molmil
PLP-bound form of a putative cystathionine gamma-lyase
分子名称: Cystathionine gamma-lyase, PYRIDOXAL-5'-PHOSPHATE
著者Chen, S, Wang, Y.
登録日2019-05-10
公開日2020-05-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structural characterization of cystathionine gamma-lyase smCSE enables aqueous metal quantum dot biosynthesis.
Int.J.Biol.Macromol., 174, 2021
3GCS
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Human P38 MAP kinase in complex with Sorafenib
分子名称: 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Gruetter, C, Simard, J.R, Rauh, D.
登録日2009-02-22
公開日2009-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors.
J.Am.Chem.Soc., 131, 2009
3GCU
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Human P38 MAP kinase in complex with RL48
分子名称: 1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 14, ...
著者Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
登録日2009-02-22
公開日2009-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors.
J.Am.Chem.Soc., 131, 2009
3GCQ
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Human P38 MAP kinase in complex with RL45
分子名称: 1-{4-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
登録日2009-02-22
公開日2009-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors.
J.Am.Chem.Soc., 131, 2009
3ZVQ
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BU of 3zvq by Molmil
Crystal Structure of proteolyzed lysozyme
分子名称: LYSOZYME C
著者Kishan, K.V, Sharma, A.
登録日2011-07-26
公開日2011-10-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Salt-assisted religation of proteolyzed Glutathione-S-transferase follows Hofmeister series.
Protein Pept.Lett., 17, 2010
6RV0
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human Alanine:Glyoxylate Aminotransferase major allele (AGT-Ma); with PMP in the active site
分子名称: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Serine--pyruvate aminotransferase
著者Giardina, G, Cutruzzola, F, Cellini, B, Mirco, D.
登録日2019-05-30
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Cycloserine enantiomers are reversible inhibitors of human alanine:glyoxylate aminotransferase: implications for Primary Hyperoxaluria type 1.
Biochem.J., 476, 2019
3DC3
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BU of 3dc3 by Molmil
Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, ZINC ION
著者Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
登録日2008-06-03
公開日2009-03-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
3DC9
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BU of 3dc9 by Molmil
Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
分子名称: Carbonic anhydrase 2, ZINC ION
著者Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
登録日2008-06-03
公開日2009-03-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
5G51
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BU of 5g51 by Molmil
High resolution structure of the part of VP3 protein of Deformed Wing Virus forming P-domain
分子名称: DWV-VP3-P-DOMAIN
著者Skubnik, K, Novacek, J, Fuzik, T, Pridal, A, Paxton, R, Plevka, P.
登録日2016-05-18
公開日2017-03-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure of deformed wing virus, a major honey bee pathogen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6U5Y
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Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
分子名称: 3-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-5-(1-cyanocyclobutyl)-2-hydroxy-N-methylbenzamide, WD repeat-containing protein 5
著者Zhao, B, Wang, F.
登録日2019-08-28
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.532 Å)
主引用文献Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5-MYC Protein-Protein Interaction.
J.Med.Chem., 62, 2019
6KGT
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BU of 6kgt by Molmil
Crystal structure of Penicillin binding protein 3 (PBP3) from Mycobacterium tuerculosis, complexed with faropenem
分子名称: (2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-5-[(2R)-oxolan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylic acid, COBALT (II) ION, Penicillin-binding protein PbpB
著者Lu, Z.K, Zhang, A.L, Liu, X, Guddat, L, Yang, H.T, Rao, Z.H.
登録日2019-07-12
公開日2020-03-11
実験手法X-RAY DIFFRACTION (2.308 Å)
主引用文献Structures ofMycobacterium tuberculosisPenicillin-Binding Protein 3 in Complex with Fivebeta-Lactam Antibiotics Reveal Mechanism of Inactivation.
Mol.Pharmacol., 97, 2020
6UMV
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BU of 6umv by Molmil
Human apo PD-1 double mutant
分子名称: CHLORIDE ION, Programmed cell death protein 1
著者Tang, S, Kim, P.S.
登録日2019-10-10
公開日2019-11-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.424 Å)
主引用文献A high-affinity human PD-1/PD-L2 complex informs avenues for small-molecule immune checkpoint drug discovery.
Proc.Natl.Acad.Sci.USA, 116, 2019
6KGU
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BU of 6kgu by Molmil
Crystal structure of Penicillin binding protein 3 (PBP3) from Mycobacterium tuerculosis, complexed with aztreonam
分子名称: 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid, COBALT (II) ION, Penicillin-binding protein PbpB
著者Lu, Z.K, Zhang, A.L, Liu, X, Guddat, L, Yang, H.T, Rao, Z.H.
登録日2019-07-12
公開日2020-03-11
実験手法X-RAY DIFFRACTION (2.106 Å)
主引用文献Structures ofMycobacterium tuberculosisPenicillin-Binding Protein 3 in Complex with Fivebeta-Lactam Antibiotics Reveal Mechanism of Inactivation.
Mol.Pharmacol., 97, 2020
6RL0
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BU of 6rl0 by Molmil
Recombinant Pseudomonas stutzeri nitrous oxide reductase, form I
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
著者Zhang, L, Wuest, A, Prasser, B, Mueller, C, Einsle, O.
登録日2019-04-30
公開日2019-06-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Functional assembly of nitrous oxide reductase provides insights into copper site maturation.
Proc.Natl.Acad.Sci.USA, 116, 2019
4A7D
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BU of 4a7d by Molmil
X-ray crystal structure of HEWL flash-cooled at high pressure
分子名称: CHLORIDE ION, LYSOZYME C, SODIUM ION
著者Burkhardt, A, Warmer, M, Panneerselvam, S, Wagner, A, Reimer, R, Hohenberg, H, Meents, A.
登録日2011-11-14
公開日2011-11-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.497 Å)
主引用文献Fast High-Pressure Freezing of Protein Crystals in Their Mother Liquor
Acta Crystallogr.,Sect.F, 68, 2012
3HB4
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BU of 3hb4 by Molmil
17beta-hydroxysteroid dehydrogenase type1 complexed with E2B
分子名称: 3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide, Estradiol 17-beta-dehydrogenase 1
著者Mazumdar, M, Fournier, D, Zhu, D.-W, Cadot, C, Poirier, D, Lin, S.-X.
登録日2009-05-04
公開日2009-12-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Binary and ternary crystal structure analyses of a novel inhibitor with 17beta-HSD type 1: a lead compound for breast cancer therapy.
Biochem.J., 424, 2009
6KGS
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BU of 6kgs by Molmil
Crystal structure of Penicillin binding protein 3 (PBP3) from Mycobacterium tuerculosis, complexed with meropenem
分子名称: (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, COBALT (II) ION, Penicillin-binding protein PbpB
著者Lu, Z.K, Zhang, A.L, Liu, X, Guddat, L, Yang, H.T, Rao, Z.H.
登録日2019-07-12
公開日2020-03-11
実験手法X-RAY DIFFRACTION (2.309 Å)
主引用文献Structures ofMycobacterium tuberculosisPenicillin-Binding Protein 3 in Complex with Fivebeta-Lactam Antibiotics Reveal Mechanism of Inactivation.
Mol.Pharmacol., 97, 2020
6KGW
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BU of 6kgw by Molmil
Crystal structure of Penicillin binding protein 3 (PBP3) from Mycobacterium tuerculosis, complexed with ampicillin
分子名称: (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, COBALT (II) ION, Penicillin-binding protein PbpB
著者Lu, Z.K, Zhang, A.L, Liu, X, Guddat, L, Yang, H.T, Rao, Z.H.
登録日2019-07-12
公開日2020-03-11
実験手法X-RAY DIFFRACTION (2.407 Å)
主引用文献Structures ofMycobacterium tuberculosisPenicillin-Binding Protein 3 in Complex with Fivebeta-Lactam Antibiotics Reveal Mechanism of Inactivation.
Mol.Pharmacol., 97, 2020
3GUR
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BU of 3gur by Molmil
Crystal Structure of mu class glutathione S-transferase (GSTM2-2) in complex with glutathione and 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol (NBDHEX)
分子名称: 1,2-ETHANEDIOL, GLUTATHIONE, Glutathione S-transferase Mu 2, ...
著者Federici, L, Lo Sterzo, C, Di Matteo, A, Scaloni, F, Federici, G, Caccuri, A.M.
登録日2009-03-30
公開日2009-10-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for the binding of the anticancer compound 6-(7-nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol to human glutathione s-transferases
Cancer Res., 69, 2009
6KGV
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Crystal structure of Penicillin binding protein 3 (PBP3) from Mycobacterium tuerculosis, complexed with amoxicillin
分子名称: 2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, COBALT (II) ION, Penicillin-binding protein PbpB
著者Lu, Z.K, Zhang, A.L, Liu, X, Guddat, L, Yang, H.T, Rao, Z.H.
登録日2019-07-12
公開日2020-03-11
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Structures ofMycobacterium tuberculosisPenicillin-Binding Protein 3 in Complex with Fivebeta-Lactam Antibiotics Reveal Mechanism of Inactivation.
Mol.Pharmacol., 97, 2020
6RV1
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human Alanine:Glyoxylate Aminotransferase major allele (AGT-Ma)
分子名称: PYRIDOXAL-5'-PHOSPHATE, Serine--pyruvate aminotransferase
著者Giardina, G, Cutruzzola, F, Cellini, B, Mirco, D.
登録日2019-05-30
公開日2020-04-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Cycloserine enantiomers are reversible inhibitors of human alanine:glyoxylate aminotransferase: implications for Primary Hyperoxaluria type 1.
Biochem.J., 476, 2019
6K40
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Crystal structure of alkyl hydroperoxide reductase from D. radiodurans R1
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alkyl hydroperoxide reductase AhpD, DI(HYDROXYETHYL)ETHER, ...
著者Kim, M.-K, Zhang, J, Zhao, L.
登録日2019-05-22
公開日2020-05-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Crystal structure of the AhpD-like protein DR1765 from Deinococcus radiodurans R1.
Biochem.Biophys.Res.Commun., 529, 2020
4A8A
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BU of 4a8a by Molmil
Asymmetric cryo-EM reconstruction of E. coli DegQ 12-mer in complex with lysozyme
分子名称: LYSOZYME C, PERIPLASMIC PH-DEPENDENT SERINE ENDOPROTEASE DEGQ
著者Malet, H, Canellas, F, Sawa, J, Yan, J, Thalassinos, K, Ehrmann, M, Clausen, T, Saibil, H.R.
登録日2011-11-20
公開日2011-12-28
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (14.2 Å)
主引用文献Newly Folded Substrates Inside the Molecular Cage of the Htra Chaperone Degq
Nat.Struct.Mol.Biol., 19, 2012
6U5M
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Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
分子名称: 5-bromo-2-hydroxy-N-[3-(methylsulfonyl)-5-(pentafluoro-lambda~6~-sulfanyl)phenyl]benzene-1-sulfonamide, WD repeat-containing protein 5
著者Zhao, B, Wang, F.
登録日2019-08-28
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5-MYC Protein-Protein Interaction.
J.Med.Chem., 62, 2019

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