4ZXX
 
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2CJQ
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3UVY
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with a diacetylated histone 4 peptide (H4K16acK20ac) | | Descriptor: | Bromodomain-containing protein 4, Histone H4 | | Authors: | Filippakopoulos, P, Felletar, I, Picaud, S, Keates, T, Muniz, J, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-11-30 | | Release date: | 2012-01-18 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
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4G3I
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3UUX
 | | Crystal structure of yeast Fis1 in complex with Mdv1 fragment containing N-terminal extension and coiled coil domains | | Descriptor: | Mitochondria fission 1 protein, Mitochondrial division protein 1 | | Authors: | Zhang, Y, Chan, N.C, Gristick, H, Chan, D.C. | | Deposit date: | 2011-11-28 | | Release date: | 2012-02-08 | | Last modified: | 2012-04-25 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Crystal structure of mitochondrial fission complex reveals scaffolding function for mitochondrial division 1 (mdv1) coiled coil.
J.Biol.Chem., 287, 2012
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4G44
 | | Structure of P450 CYP121 in complex with lead compound MB286, 3-((1H-1,2,4-triazol-1-yl)methyl)aniline | | Descriptor: | 3-(1H-1,2,4-triazol-1-ylmethyl)aniline, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Hudson, S.A, McLean, K.J, Surade, S, Yang, Y.-Q, Leys, D, Ciulli, A, Munro, A.W, Abell, C. | | Deposit date: | 2012-07-16 | | Release date: | 2012-09-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121
Angew.Chem.Int.Ed.Engl., 51, 2012
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3UVF
 | | Expanding LAGALIDADG endonuclease scaffold diversity by rapidly surveying evolutionary sequence space | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, Intron-encoded DNA endonuclease I-HjeMI, ... | | Authors: | Jacoby, K, Metzger, M, Shen, B, Jarjour, J, Stoddard, B, Scharenberg, A. | | Deposit date: | 2011-11-29 | | Release date: | 2012-02-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Expanding LAGLIDADG endonuclease scaffold diversity by rapidly surveying evolutionary sequence space.
Nucleic Acids Res., 40, 2012
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4G5A
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3UXD
 | | Designed protein KE59 R1 7/10H with dichlorobenzotriazole (DBT) | | Descriptor: | 5,7-dichloro-1H-benzotriazole, Kemp eliminase KE59 R1 7/10H, PHOSPHATE ION | | Authors: | Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | | Deposit date: | 2011-12-05 | | Release date: | 2012-06-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59.
Proc.Natl.Acad.Sci.USA, 109, 2012
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8EG6
 | | huCaspase-6 in complex with inhibitor 2a | | Descriptor: | (3R)-1-(ethanesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Zhao, Y, Fan, P, Liu, J, Wang, Y, Van Horn, K, Wang, D, Medina-Cleghorn, D, Lee, P, Bryant, C, Altobelli, C, Jaishankar, P, Ng, R.A, Ambrose, A.J, Tang, Y, Arkin, M.R, Renslo, A.R. | | Deposit date: | 2022-09-11 | | Release date: | 2023-05-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Engaging a Non-catalytic Cysteine Residue Drives Potent and Selective Inhibition of Caspase-6.
J.Am.Chem.Soc., 145, 2023
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3UXU
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4GDA
 | | Circular Permuted Streptavidin A50/N49 | | Descriptor: | BIOTIN, ETHANOL, GLYCEROL, ... | | Authors: | Le Trong, I, Chu, V, Xing, Y, Lybrand, T.P, Stayton, P.S, Stenkamp, R.E. | | Deposit date: | 2012-07-31 | | Release date: | 2013-06-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Structural consequences of cutting a binding loop: two circularly permuted variants of streptavidin.
Acta Crystallogr.,Sect.D, 69, 2013
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4G5J
 | | Crystal structure of EGFR kinase in complex with BIBW2992 | | Descriptor: | (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide, Epidermal growth factor receptor, N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide | | Authors: | Solca, F, Dahl, G, Zoephel, A, Bader, G, Sanderson, M, Klein, C, Kraemer, O, Himmelsbach, F, Haaksma, E, Adolf, G.R. | | Deposit date: | 2012-07-18 | | Release date: | 2012-08-29 | | Last modified: | 2012-10-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Target Binding Properties and Cellular Activity of Afatinib (BIBW 2992), an Irreversible ErbB Family Blocker.
J.Pharmacol.Exp.Ther., 343, 2012
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3UW3
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4GDN
 | | Structure of FmtA-like protein | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Protein flp | | Authors: | Cougnoux, A, Gibold, L, Delmas, J, Robin, F, Dalmasso, G, Bonnet, R. | | Deposit date: | 2012-08-01 | | Release date: | 2012-10-03 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Analysis of Structure-Function Relationships in the Colibactin-Maturating Enzyme ClbP.
J.Mol.Biol., 424, 2012
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3UY7
 | | Designed protein KE59 R1 7/10H with G130S mutation | | Descriptor: | Kemp eliminase KE59 R1 7/10H, SODIUM ION, SULFATE ION | | Authors: | Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | | Deposit date: | 2011-12-06 | | Release date: | 2012-06-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4WKW
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3UXH
 | | Design, Synthesis and Biological Evaluation of Potetent Quinoline and Pyrroloquinoline Ammosamide Analogues as Inhibitors of Quinone Reductase 2 | | Descriptor: | 6,8-diamino-7-chloro-1-methyl-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinoline-4-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | | Authors: | Cushman, M, Mesecar, A.D, Fanwick, P.E, Narasimha, R, Jensen, K.C. | | Deposit date: | 2011-12-05 | | Release date: | 2012-01-18 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Design, synthesis, and biological evaluation of potent quinoline and pyrroloquinoline ammosamide analogues as inhibitors of quinone reductase 2.
J.Med.Chem., 55, 2012
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3V08
 | | Crystal structure of Equine Serum Albumin | | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, SULFATE ION, ... | | Authors: | Dayal, A, Jablonska, K, Porebski, P.J, Majorek, K.A, Chruszcz, M, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2011-12-07 | | Release date: | 2012-01-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural and immunologic characterization of bovine, horse, and rabbit serum albumins.
Mol.Immunol., 52, 2012
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4G7L
 | | Crystal Structure of rat Heme oxygenase-1 in complex with Heme and O2 | | Descriptor: | FORMIC ACID, Heme oxygenase 1, OXYGEN MOLECULE, ... | | Authors: | Sugishima, M, Moffat, K, Noguchi, M. | | Deposit date: | 2012-07-20 | | Release date: | 2012-10-31 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discrimination between CO and O(2) in heme oxygenase: comparison of static structures and dynamic conformation changes following CO photolysis.
Biochemistry, 51, 2012
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4G7X
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3V0W
 | | Crystal structure of Fab WN1 222-5 in complex with LPS | | Descriptor: | 2-amino-2-deoxy-alpha-D-glucopyranose-(1-2)-alpha-D-glucopyranose-(1-2)-alpha-D-glucopyranose-(1-3)-[alpha-D-galactopyranose-(1-6)]alpha-D-glucopyranose-(1-3)-[L-glycero-alpha-D-manno-heptopyranose-(1-7)]4-O-phosphono-L-glycero-alpha-D-manno-heptopyranose-(1-3)-4-O-phosphono-L-glycero-alpha-D-manno-heptopyranose-(1-5)-[3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)]3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, SULFATE ION, WN1 222-5 Fab (IgG2a) heavy chain, ... | | Authors: | Gomery, K, Evans, S.V. | | Deposit date: | 2011-12-08 | | Release date: | 2012-12-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Antibody WN1 222-5 mimics Toll-like receptor 4 binding in the recognition of LPS.
Proc.Natl.Acad.Sci.USA, 109, 2012
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8EG5
 | | huCaspase-6 in complex with inhibitor 3a | | Descriptor: | (3R,5S)-1-(ethanesulfonyl)-5-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide (bound form), 1,2-ETHANEDIOL, Caspase-6 subunit p11, ... | | Authors: | Zhao, Y, Fan, P, Liu, J, Wang, Y, Van Horn, K, Wang, D, Medina-Cleghorn, D, Lee, P, Bryant, C, Altobelli, C, Jaishankar, P, Ng, R.A, Ambrose, A.J, Tang, Y, Arkin, M.R, Renslo, A.R. | | Deposit date: | 2022-09-11 | | Release date: | 2023-05-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Engaging a Non-catalytic Cysteine Residue Drives Potent and Selective Inhibition of Caspase-6.
J.Am.Chem.Soc., 145, 2023
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1IYI
 | | Crystal structure of hematopoietic prostaglandin D synthase | | Descriptor: | CALCIUM ION, GLUTATHIONE, HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE | | Authors: | Inoue, T. | | Deposit date: | 2002-08-26 | | Release date: | 2003-04-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mechanism of metal activation of human hematopoietic prostaglandin D synthase
NAT.STRUCT.BIOL., 10, 2003
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3UZR
 | | Crystal structure of aminoglycoside phosphotransferase APH(2'')-Ib, apo form | | Descriptor: | 1,2-ETHANEDIOL, Aminoglycoside phosphotransferase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Stogios, P.J, Minasov, G, Singer, A.U, Tan, K, Nocek, B, Evdokimova, E, Egorova, E, Di Leo, R, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-12-07 | | Release date: | 2011-12-21 | | Last modified: | 2011-12-28 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of aminoglycoside phosphotransferase APH(2'')-Ib, apo form
TO BE PUBLISHED
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