5MVH
 
 | | Glycoside Hydrolase BACCELL_00856 | | Descriptor: | BACCELL_00856 | | Authors: | Munoz-Munoz, J, Cartmell, A, Terrapon, N, Henrissat, B, Gilbert, H.J. | | Deposit date: | 2017-01-16 | | Release date: | 2017-04-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Unusual active site location and catalytic apparatus in a glycoside hydrolase family.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4LMQ
 | | Development and Preclinical Characterization of a Humanized Antibody Targeting CXCL12 | | Descriptor: | Stromal cell-derived factor 1, hu30D8 Fab heavy chain, hu30D8 Fab light chain | | Authors: | Zhong, Z, Wang, J, Li, B, Xiang, H, Ultsch, M, Coons, M, Wong, T, Chiang, N.Y, Clark, S, Clark, R, Quintana, L, Gribling, P, Suto, E, Barck, K, Corpuz, R, Yao, J, Takkar, R, Lee, W.P, Damico-Beyer, L.A, Carano, R.D, Adams, C, Kelley, R.F, Wang, W, Ferrara, N. | | Deposit date: | 2013-07-10 | | Release date: | 2013-08-14 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.773 Å) | | Cite: | Development and Preclinical Characterization of a Humanized Antibody Targeting CXCL12.
Clin.Cancer Res., 19, 2013
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5EHJ
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-[(4aR,8aR)-octahydronaphthalen-2(1H)-ylidenemethanediyl]diphenol | | Descriptor: | 4,4'-[(4aR,8aR)-octahydronaphthalen-2(1H)-ylidenemethanediyl]diphenol, Estrogen receptor, NCOA2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | Deposit date: | 2015-10-28 | | Release date: | 2016-05-04 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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1OB3
 | | Structure of P. falciparum PfPK5 | | Descriptor: | CELL DIVISION CONTROL PROTEIN 2 HOMOLOG | | Authors: | Holton, S, Merckx, A, Burgess, D, Doerig, C, Noble, M, Endicott, J. | | Deposit date: | 2003-01-24 | | Release date: | 2004-01-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structures of P. Falciparum Pfpk5 Test the Cdk Regulation Paradigm and Suggest Mechanisms of Small Molecule Inhibition
Structure, 11, 2003
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3SXV
 | | Crystal structure of the complex of goat lactoperoxidase with amitrole at 2.1 A resolution | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Pandey, N, Singh, R.P, Singh, A.K, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2011-07-15 | | Release date: | 2011-08-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of the complex of goat lactoperoxidase with amitrole at 2.1 A resolution
TO BE PUBLISHED
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6F8C
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5TTO
 | | X-ray crystal structure of PPARgamma in complex with SR1643 | | Descriptor: | 4-bromo-N-{3,5-dichloro-4-[(quinolin-3-yl)oxy]phenyl}-2,5-difluorobenzene-1-sulfonamide, Peroxisome proliferator-activated receptor gamma | | Authors: | Bruning, J.B, Frkic, R.L, Griffin, P, Kamenecka, T, Abell, A. | | Deposit date: | 2016-11-04 | | Release date: | 2017-05-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.246 Å) | | Cite: | Structure-Activity Relationship of 2,4-Dichloro-N-(3,5-dichloro-4-(quinolin-3-yloxy)phenyl)benzenesulfonamide (INT131) Analogs for PPAR gamma-Targeted Antidiabetics.
J. Med. Chem., 60, 2017
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5MVD
 | | Crystal structure of potent human Dihydroorotate Dehydrogenase inhibitors based on hydroxylated azole scaffolds | | Descriptor: | 1,5-dimethyl-3-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazole-4-carboxamide, ACETATE ION, CHLORIDE ION, ... | | Authors: | Goyal, P, Andersson, M, Moritzer, A.C, Sainas, S, Pippione, A.C, Boschi, D, Al-Kadaraghi, S, Lolli, M, Friemann, R. | | Deposit date: | 2017-01-16 | | Release date: | 2017-03-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Design, synthesis, biological evaluation and X-ray structural studies of potent human dihydroorotate dehydrogenase inhibitors based on hydroxylated azole scaffolds.
Eur J Med Chem, 129, 2017
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5D5Z
 | | Structure of Chaetomium thermophilum Skn7 coiled-coil domain, crystal form II | | Descriptor: | Putative transcription factor | | Authors: | Neudegger, T, Verghese, J, Hayer-Hartl, M, Bracher, A, Hartl, F.U. | | Deposit date: | 2015-08-11 | | Release date: | 2015-12-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of human heat-shock transcription factor 1 in complex with DNA.
Nat.Struct.Mol.Biol., 23, 2016
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8DP9
 | | Crystal structure of the monomeric AvrM14-B Nudix hydrolase effector from Melampsora lini | | Descriptor: | AvrM14-B, SULFATE ION | | Authors: | McCombe, C.L, Outram, M.A, Ericsson, D.J, Williams, S.J. | | Deposit date: | 2022-07-15 | | Release date: | 2023-01-25 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | A rust-fungus Nudix hydrolase effector decaps mRNA in vitro and interferes with plant immune pathways.
New Phytol., 239, 2023
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6M48
 | | Crystal structure of pilus adhesin, SpaC from Lactobacillus rhamnosus GG - P21212 form | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, SpaC | | Authors: | Kant, A, Palva, A, Von Ossowaski, I, Krishnan, V. | | Deposit date: | 2020-03-05 | | Release date: | 2020-07-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of lactobacillar SpaC reveals an atypical five-domain pilus tip adhesin: Exposing its substrate-binding and assembly in SpaCBA pili.
J.Struct.Biol., 211, 2020
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7RMI
 | | SP6-11 biased agonist bound to active human neurokinin 1 receptor in complex with miniGs/q70 | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | | Authors: | Harris, J.A, Faust, B, Gondin, A.B, Daemgen, M.A, Suomivuori, C.M, Veldhuis, N.A, Cheng, Y, Dror, R.O, Thal, D, Manglik, A. | | Deposit date: | 2021-07-27 | | Release date: | 2021-11-03 | | Last modified: | 2022-01-05 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Selective G protein signaling driven by substance P-neurokinin receptor dynamics.
Nat.Chem.Biol., 18, 2022
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3L43
 | | Crystal structure of the dynamin 3 GTPase domain bound with GDP | | Descriptor: | Dynamin-3, GUANOSINE-5'-DIPHOSPHATE, UNKNOWN ATOM OR ION | | Authors: | Yang, S, Tempel, W, Tong, Y, Nedyalkova, L, Guan, X, Crombet, L, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-12-18 | | Release date: | 2010-01-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Crystal structure of the dynamin 3 GTPase domain bound with GDP
to be published
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6P1V
 | | Pre-catalytic ternary complex of human DNA Polymerase Mu with 1-nt gapped substrate containing undamaged template dG and bound incoming dCMPNPP | | Descriptor: | 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Kaminski, A.M, Pedersen, L.C, Bebenek, K, Chiruvella, K.K, Ramsden, D.A, Kunkel, T.A. | | Deposit date: | 2019-05-20 | | Release date: | 2019-09-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Unexpected behavior of DNA polymerase Mu opposite template 8-oxo-7,8-dihydro-2'-guanosine.
Nucleic Acids Res., 47, 2019
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2YQ4
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6BP4
 | | Structure of the S. pombe Clr4 catalytic domain bound to SAM | | Descriptor: | Histone-lysine N-methyltransferase, H3 lysine-9 specific, S-ADENOSYLMETHIONINE, ... | | Authors: | Currie, M.A, Moazed, D. | | Deposit date: | 2017-11-21 | | Release date: | 2018-07-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7701 Å) | | Cite: | Automethylation-induced conformational switch in Clr4 (Suv39h) maintains epigenetic stability.
Nature, 560, 2018
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5MOO
 | | Joint X-ray/neutron structure of cationic trypsin in complex with aniline | | Descriptor: | CALCIUM ION, Cationic trypsin, SULFATE ION, ... | | Authors: | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | | Deposit date: | 2016-12-14 | | Release date: | 2017-05-24 | | Last modified: | 2024-05-01 | | Method: | NEUTRON DIFFRACTION (1.441 Å), X-RAY DIFFRACTION | | Cite: | Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5MXK
 | | Structure of Mycobacterium Tuberculosis Transcriptional Regulatory Repressor Protein (EthR) in complex with fragment 7G9. | | Descriptor: | 1,2-ETHANEDIOL, HTH-type transcriptional regulator EthR, ~{N}-(5-oxidanylidene-7,8-dihydro-6~{H}-naphthalen-2-yl)ethanamide | | Authors: | Mendes, V, Chan, D.S.-H, Thomas, S.E, McConnell, B, Matak-Vinkovic, D, Coyne, A.G, Abell, C, Blundell, T.L. | | Deposit date: | 2017-01-23 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.932 Å) | | Cite: | Fragment Screening against the EthR-DNA Interaction by Native Mass Spectrometry.
Angew. Chem. Int. Ed. Engl., 56, 2017
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4YXV
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8OFI
 | | Ivabradine bound to HCN4 channel | | Descriptor: | Ivabradine, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4 | | Authors: | Saponaro, A, Chaves-Sanjuan, A, Sharifzadeh, A.S, Clarke, O.B, Marabelli, C, Bolognesi, M, Thiel, G, Moroni, A. | | Deposit date: | 2023-03-15 | | Release date: | 2024-08-14 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural determinants of ivabradine block of the open pore of HCN4.
Proc.Natl.Acad.Sci.USA, 121, 2024
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6ZM1
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5KCW
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-trifluoroethyl OBHS-N derivative | | Descriptor: | (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-phenyl-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-06-07 | | Release date: | 2016-11-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.905 Å) | | Cite: | Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
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2X9O
 | | STRUCTURE OF 15, 16- DIHYDROBILIVERDIN:FERREDOXIN OXIDOREDUCTASE (PebA) | | Descriptor: | 15,16-DIHYDROBILIVERDIN-FERREDOXIN OXIDOREDUCTASE, BILIVERDINE IX ALPHA | | Authors: | Busch, A.W.U, Frankenberg-Dinkel, N, Hofmann, E. | | Deposit date: | 2010-03-23 | | Release date: | 2011-03-30 | | Last modified: | 2013-11-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural and Mechanistic Insight Into the Ferredoxin-Mediated Two-Electron Reduction of Bilins.
Biochem.J., 439, 2011
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7RMG
 | | Substance P bound to active human neurokinin 1 receptor in complex with miniGs/q70 | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | | Authors: | Harris, J.A, Faust, B, Gondin, A.B, Daemgen, M.A, Suomivuori, C.M, Veldhuis, N.A, Cheng, Y, Dror, R.O, Thal, D, Manglik, A. | | Deposit date: | 2021-07-27 | | Release date: | 2021-11-03 | | Last modified: | 2022-01-05 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Selective G protein signaling driven by substance P-neurokinin receptor dynamics.
Nat.Chem.Biol., 18, 2022
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3OSH
 | | Crystal Structure of The Complex of Group 1 Phospholipase A2 With Atropin At 1.5 A Resolution | | Descriptor: | (1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE, CALCIUM ION, Phospholipase A2 isoform 3 | | Authors: | Shukla, P.K, Kaushik, S, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2010-09-09 | | Release date: | 2010-11-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal Structure of The Complex of Group 1 Phospholipase A2 With Atropin At 1.5 A Resolution
To be Published
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