4EGM
 
 | | The X-ray crystal structure of CYP199A4 in complex with 4-ethylbenzoic acid | | Descriptor: | 4-ethylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... | | Authors: | Zhou, W, Bell, S.G, Yang, W, Zhou, R.M, Tan, A.B.H, Wong, L.-L. | | Deposit date: | 2012-03-31 | | Release date: | 2013-02-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Investigation of the substrate range of CYP199A4: modification of the partition between hydroxylation and desaturation activities by substrate and protein engineering
Chemistry, 18, 2012
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4E45
 | | Crystal structure of the hMHF1/hMHF2 Histone-Fold Tetramer in Complex with Fanconi Anemia Associated Helicase hFANCM | | Descriptor: | Centromere protein S, Centromere protein X, Fanconi anemia group M protein, ... | | Authors: | Fox III, D, Zhao, Y, Yang, W, Weidong, W. | | Deposit date: | 2012-03-12 | | Release date: | 2013-03-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structures Reveal that FANCM remodels the MHF Tetramer in favor of binding Branched DNA
To be Published
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3ARW
 | | Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - complex structure with chelerythrine | | Descriptor: | 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium, Chitinase A, GLYCEROL | | Authors: | Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W. | | Deposit date: | 2010-12-09 | | Release date: | 2011-04-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms
J.Biol.Chem., 286, 2011
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1LX5
 | | Crystal Structure of the BMP7/ActRII Extracellular Domain Complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Activin Type II Receptor, alpha-D-mannopyranose-(1-3)-[beta-D-mannopyranose-(1-4)][alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Greenwald, J, Groppe, J, Kwiatkowski, W, Choe, S. | | Deposit date: | 2002-06-04 | | Release date: | 2003-04-01 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | The BMP7/ActRII Extracellular Domain Complex Provides New Insights into
the Cooperative Nature of Receptor Assembly
Mol.Cell, 11, 2003
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4GWN
 | | Crystal structure of human mature meprin beta | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Arolas, J.L, Broder, C, Jefferson, T, Guevara, T, Sterchi, E.E, Bode, W, Stocker, W, Becker-Pauly, C, Gomis-Ruth, F.X. | | Deposit date: | 2012-09-03 | | Release date: | 2012-09-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis for the sheddase function of human meprin beta metalloproteinase at the plasma membrane
Proc.Natl.Acad.Sci.USA, 109, 2012
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1LXI
 | | Refinement of BMP7 crystal structure | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BONE MORPHOGENETIC PROTEIN 7 | | Authors: | Greenwald, J, Groppe, J, Kwiatkowski, W, Choe, S. | | Deposit date: | 2002-06-05 | | Release date: | 2003-04-01 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The BMP7/ActRII Extracellular Domain Complex Provides New Insights into
the Cooperative Nature of Receptor Assembly
Mol.Cell, 11, 2003
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3A04
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3BFC
 | | class A beta-lactamase SED-G238C complexed with imipenem | | Descriptor: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Class A beta-lactamase Sed1 | | Authors: | Pernot, L, Petrella, S, Sougakoff, W. | | Deposit date: | 2007-11-21 | | Release date: | 2007-12-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Acyl-intermediate structures of the class A beta-lactamase SED-G238C
To be Published
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2YYL
 | | Crystal structure of the mutant of HpaB (T198I, A276G, and R466H) complexed with FAD | | Descriptor: | 4-hydroxyphenylacetate-3-hydroxylase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | | Authors: | Kim, S.-H, Hisano, T, Takeda, K, Iwasaki, W, Ebihara, A, Miki, K. | | Deposit date: | 2007-04-30 | | Release date: | 2007-09-04 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal Structure of the Oxygenase Component (HpaB) of the 4-Hydroxyphenylacetate 3-Monooxygenase from Thermus thermophilus HB8
J.Biol.Chem., 282, 2007
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4G5Q
 | | Structure of LGN GL4/Galphai1 complex | | Descriptor: | CITRIC ACID, G-protein-signaling modulator 2, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Jia, M, Li, J, Zhu, J, Wen, W, Zhang, M, Wang, W. | | Deposit date: | 2012-07-18 | | Release date: | 2012-09-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structures of the scaffolding protein LGN reveal the general mechanism by which GoLoco binding motifs inhibit the release of GDP from Galphai subunits in G-coupled heterotrimeric proteins
To be Published
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3BFF
 | | class A beta-lactamase SED-G238C complexed with faropenem | | Descriptor: | (2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-5-[(2R)-oxolan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylic acid, (5R,6S)-6-(1-hydroxyethyl)-7-oxo-3-[(2R)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, Class A beta-lactamase Sed1, ... | | Authors: | Pernot, L, Petrella, S, Sougakoff, W. | | Deposit date: | 2007-11-21 | | Release date: | 2007-12-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | acyl-intermediate structures of the class A beta-lactamase SED-G238C
To be Published
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4ER3
 | | Crystal Structure of Human DOT1L in complex with inhibitor EPZ004777 | | Descriptor: | 1,2-ETHANEDIOL, 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-lysine N-methyltransferase, ... | | Authors: | Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-04-19 | | Release date: | 2012-05-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
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1PPE
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4IAA
 | | Crystal structure of Ser/Thr kinase Pim1 in complex with thioridazine | | Descriptor: | 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, Serine/threonine-protein kinase pim-1 | | Authors: | Zhang, W, Wan, X, Li, W, Xie, Y, Huang, N. | | Deposit date: | 2012-12-06 | | Release date: | 2013-12-18 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Crystal structure of Ser/Thr kinase Pim1 in complex with thioridazine
To be Published
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3BFG
 | | class A beta-lactamase SED-G238C complexed with meropenem | | Descriptor: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, Class A beta-lactamase Sed1 | | Authors: | Pernot, L, Petrella, S, Sougakoff, W. | | Deposit date: | 2007-11-21 | | Release date: | 2007-12-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | acyl-intermediate structures of the class A beta-lactamase SED-G238C
To be Published
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3BFE
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3BFD
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3BMP
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6N9V
 | | Structure of bacteriophage T7 lagging-strand DNA polymerase (D5A/E7A) and gp4 (helicase/primase) bound to DNA including RNA/DNA hybrid, and an incoming dTTP (LagS1) | | Descriptor: | DNA primase/helicase, DNA-directed DNA polymerase, MAGNESIUM ION, ... | | Authors: | Gao, Y, Fox, T, Val, N, Yang, W. | | Deposit date: | 2018-12-04 | | Release date: | 2019-03-06 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structures and operating principles of the replisome.
Science, 363, 2019
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6MJU
 | | human cGAS catalytic domain bound with the inhibitor G108 | | Descriptor: | 1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one, Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Lama, L, Adura, C, Xie, W, Tomita, D, Kamei, T, Kuryavyi, V, Gogakos, T, Steinberg, J.I, Miller, M, Ramos-Espiritu, L, Asano, Y, Hashizume, S, Aida, J, Imaeda, T, Okamoto, R, Jennings, A.J, Michinom, M, Kuroita, T, Stamford, A, Gao, P, Meinke, P, Glickman, J.F, Patel, D.J, Tuschl, T. | | Deposit date: | 2018-09-22 | | Release date: | 2019-05-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression.
Nat Commun, 10, 2019
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4DUP
 | | Crystal Structure of a quinone oxidoreductase from Rhizobium etli CFN 42 | | Descriptor: | quinone oxidoreductase | | Authors: | Kumaran, D, Rice, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2012-02-22 | | Release date: | 2012-03-07 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal Structure of a quinone oxidoreductase from Rhizobium etli CFN 42
To be Published
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6YGV
 | | tRNA-Guanine Transglycosylase (TGT) in co-crystallized complex with (E)-N-ethyl-4-oxo-4-phenylbut-2-enamide | | Descriptor: | GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION, ... | | Authors: | Nguyen, A, Heyder, L, Heine, A, Diederich, W, Klebe, G. | | Deposit date: | 2020-03-27 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Ligands disturb dimer contacts
To Be Published
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6MS7
 | | Peroxisome proliferator-activated receptor gamma ligand binding domain in complex with a novel selective PPAR-gamma modulator VSP-77 | | Descriptor: | PGC1 LXXLL motif, Peroxisome proliferator-activated receptor gamma, {[(1S)-1-(4-chlorophenyl)octyl]oxy}acetic acid | | Authors: | Yi, W, Jiang, H, Zhou, X.E, Shi, J, Zhao, G, Zhang, X, Sun, Y, Suino-Powell, K, Li, J, Li, J, Melcher, K, Xu, H.E. | | Deposit date: | 2018-10-16 | | Release date: | 2019-10-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Identification and structural insight of an effective PPAR gamma modulator with improved therapeutic index for anti-diabetic drug discovery.
Chem Sci, 11, 2020
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6MJX
 | | human cGAS catalytic domain bound with cGAMP | | Descriptor: | Cyclic GMP-AMP synthase, ZINC ION, cGAMP | | Authors: | Lama, L, Adura, C, Xie, W, Tomita, D, Kamei, T, Kuryavyi, V, Gogakos, T, Steinberg, J.I, Miller, M, Ramos-Espiritu, L, Asano, Y, Hashizume, S, Aida, J, Imaeda, T, Okamoto, R, Jennings, A.J, Michinom, M, Kuroita, T, Stamford, A, Gao, P, Meinke, P, Glickman, J.F, Patel, D.J, Tuschl, T. | | Deposit date: | 2018-09-23 | | Release date: | 2019-05-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression.
Nat Commun, 10, 2019
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6MKY
 | | Human SDS22 | | Descriptor: | Protein phosphatase 1 regulatory subunit 7, SULFATE ION | | Authors: | Choy, M.S, Bolik-Coulon, N, Page, R, Peti, W. | | Deposit date: | 2018-09-26 | | Release date: | 2018-12-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The structure of SDS22 provides insights into the mechanism of heterodimer formation with PP1.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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