6WL2
 
 | | preTCRbeta-pMHC complex crystal structure | | Descriptor: | ARG-GLY-TYR-VAL-TYR-GLN-GLY-LEU, H-2 class I histocompatibility antigen, K-B alpha chain, ... | | Authors: | Li, X, Mallis, R.J, Mizsei, R, Tan, K, Reinherz, E.L, Wang, J. | | Deposit date: | 2020-04-18 | | Release date: | 2020-12-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Pre-T cell receptors topologically sample self-ligands during thymocyte beta-selection.
Science, 371, 2021
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6WL4
 | | preTCRbeta-pMHC complex crystal structure | | Descriptor: | ARG-GLY-TYR-VAL-TYR-GLN-GLY-LEU, H-2 class I histocompatibility antigen, K-B alpha chain, ... | | Authors: | Li, X, Mallis, R.J, Mizsei, R, Tan, K, Reinherz, E.L, Wang, J. | | Deposit date: | 2020-04-18 | | Release date: | 2020-12-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Pre-T cell receptors topologically sample self-ligands during thymocyte beta-selection.
Science, 371, 2021
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8W03
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-1154 | | Descriptor: | (1S,2R,4S)-N-(4-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor | | Authors: | Min, C.K, Nwachukwu, J.C, Hou, Y, Russo, R.J, Papa, A, Min, J, Peng, R, Kim, S.H, Ziegler, Y, Rangarajan, E.S, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2024-02-13 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Asymmetric allostery in estrogen receptor-alpha homodimers drives responses to the ensemble of estrogens in the hormonal milieu.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8W07
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-402 | | Descriptor: | (1R,2S,4R)-N-cyclohexyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, (1S,2R,4S)-N-cyclohexyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor | | Authors: | Min, C.K, Nwachukwu, J.C, Hou, Y, Russo, R.J, Papa, A, Min, J, Peng, R, Kim, S.H, Ziegler, Y, Rangarajan, E.S, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.K, Nettles, K.W. | | Deposit date: | 2024-02-13 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Asymmetric allostery in estrogen receptor-alpha homodimers drives responses to the ensemble of estrogens in the hormonal milieu.
Proc.Natl.Acad.Sci.USA, 121, 2024
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6X3U
 | | Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus flumazenil | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, ... | | Authors: | Kim, J.J, Gharpure, A, Teng, J, Zhuang, Y, Howard, R.J, Zhu, S, Noviello, C.M, Walsh, R.M, Lindahl, E, Hibbs, R.E. | | Deposit date: | 2020-05-21 | | Release date: | 2020-09-09 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Shared structural mechanisms of general anaesthetics and benzodiazepines.
Nature, 585, 2020
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6DIK
 | | Crystal structure of Bothropstoxin I (BthTX-I) complexed to Chicoric acid | | Descriptor: | (2R,3R)-2,3-bis{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid, BICARBONATE ION, Basic phospholipase A2 homolog bothropstoxin-1, ... | | Authors: | Cardoso, F.F, Salvador, G.H.M, Borges, R.J. | | Deposit date: | 2018-05-23 | | Release date: | 2018-10-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structural basis of phospholipase A2-like myotoxin inhibition by chicoric acid, a novel potent inhibitor of ophidian toxins.
Biochim Biophys Acta Gen Subj, 1862, 2018
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8BS8
 | | Bovine naive ultralong antibody AbD08 collected at 100K | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Heavy chain, Light chain | | Authors: | Clarke, J.D, Douangamath, A, Mikolajek, H, Stuart, D.I, Owens, R.J. | | Deposit date: | 2022-11-24 | | Release date: | 2023-05-24 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | The impact of exchanging the light and heavy chains on the structures of bovine ultralong antibodies
Acta Crystallogr.,Sect.F, 80, 2024
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6X3W
 | | Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus phenobarbital | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione, ... | | Authors: | Kim, J.J, Gharpure, A, Teng, J, Zhuang, Y, Howard, R.J, Zhu, S, Noviello, C.M, Walsh, R.M, Lindahl, E, Hibbs, R.E. | | Deposit date: | 2020-05-21 | | Release date: | 2020-09-09 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Shared structural mechanisms of general anaesthetics and benzodiazepines.
Nature, 585, 2020
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6FOE
 | | BaxB01 Fab fragment | | Descriptor: | Fab BaxB01 heavy chain, Fab BaxB01 light chain | | Authors: | Hollerweger, J, Schinagl, A, Kerschbaumer, R.J, Scheiflinger, F, Thiele, M, Goettig, P, Brandstetter, H. | | Deposit date: | 2018-02-07 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Role of the Cysteine 81 Residue of Macrophage Migration Inhibitory Factor as a Molecular Redox Switch.
Biochemistry, 57, 2018
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6Z36
 | | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2118 | | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-(4-piperidin-4-ylphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine, AMMONIUM ION, ... | | Authors: | Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | | Deposit date: | 2020-05-19 | | Release date: | 2020-05-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2118
To Be Published
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6GQA
 | | Cell division regulator S. pneumoniae GpsB | | Descriptor: | Cell cycle protein GpsB | | Authors: | Lewis, R.J, Rutter, Z.J. | | Deposit date: | 2018-06-07 | | Release date: | 2019-01-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The cell cycle regulator GpsB functions as cytosolic adaptor for multiple cell wall enzymes.
Nat Commun, 10, 2019
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3Q9O
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6GE9
 | | Structure of Mycobacterium tuberculosis GlmU bound to Glc-1P and Ac-CoA | | Descriptor: | 1,2-ETHANEDIOL, 1-O-phosphono-alpha-D-glucopyranose, ACETYL COENZYME *A, ... | | Authors: | Craggs, P.D, Mouilleron, S, Rejzek, M, de Chiara, C, Young, R.J, Field, R.A, Argyrou, A, de Carvalho, L.P.S. | | Deposit date: | 2018-04-25 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | The Mechanism of Acetyl Transfer Catalyzed by Mycobacterium tuberculosis GlmU.
Biochemistry, 57, 2018
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6G7G
 | | Structure of SPH (Self-Incompatibility Protein Homologue) proteins, a widespread family of small, highly stable, secreted proteins from plants | | Descriptor: | S-protein homolog 15 | | Authors: | Rajasekar, K.V, Coulthard, R.J, Ride, J.P, Ji, S, Winn, P.J, Wheeler, M.P, Hyde, E.I, Smith, L.J. | | Deposit date: | 2018-04-06 | | Release date: | 2019-03-06 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Structure of SPH (self-incompatibility protein homologue) proteins: a widespread family of small, highly stable, secreted proteins.
Biochem.J., 476, 2019
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6GP7
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6GPZ
 | | Cell division regulator GpsB in complex with peptide fragment of L. monocytogenes Penicillin Binding Protein PBPA1 | | Descriptor: | Cell cycle protein GpsB, IMIDAZOLE, LmPBPA1, ... | | Authors: | Cleverley, R.M, Lewis, R.J, Rutter, Z.J. | | Deposit date: | 2018-06-07 | | Release date: | 2019-01-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The cell cycle regulator GpsB functions as cytosolic adaptor for multiple cell wall enzymes.
Nat Commun, 10, 2019
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2F33
 | | NMR solution structure of Ca2+-loaded calbindin D28K | | Descriptor: | Calbindin | | Authors: | Kojetin, D.J, Venters, R.A, Kordys, D.R, Thompson, R.J, Kumar, R, Cavanagh, J. | | Deposit date: | 2005-11-18 | | Release date: | 2006-07-04 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structure, binding interface and hydrophobic transitions of Ca(2+)-loaded calbindin-D(28K).
Nat.Struct.Mol.Biol., 13, 2006
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2FFH
 | | THE SIGNAL SEQUENCE BINDING PROTEIN FFH FROM THERMUS AQUATICUS | | Descriptor: | CADMIUM ION, PROTEIN (FFH), SULFATE ION | | Authors: | Keenan, R.J, Freymann, D.M, Walter, P, Stroud, R.M. | | Deposit date: | 1999-06-29 | | Release date: | 1999-07-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structure of the signal sequence binding subunit of the signal recognition particle.
Cell(Cambridge,Mass.), 94, 1998
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4G4O
 | | MutM containing M77A mutation bound to oxoG-containing DNA | | Descriptor: | DNA (5'-D(*TP*GP*CP*GP*TP*CP*CP*(8OG)P*AP*GP*(TX2)P*CP*TP*AP*CP*C)-3'), DNA (5'-D(P*AP*GP*GP*TP*AP*GP*AP*CP*TP*CP*GP*GP*AP*CP*GP*C)-3'), Formamidopyrimidine-DNA glycosylase, ... | | Authors: | Sung, R.J, Zhang, M, Qi, Y, Verdine, G.L. | | Deposit date: | 2012-07-16 | | Release date: | 2013-02-20 | | Last modified: | 2013-04-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural and Biochemical Analysis of DNA Helix Invasion by the Bacterial 8-Oxoguanine DNA Glycosylase MutM.
J.Biol.Chem., 288, 2013
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4G4R
 | | MutM containing F114A mutation bound to oxoG-containing DNA | | Descriptor: | DNA (5'-D(*TP*GP*CP*GP*TP*CP*CP*(8OG)P*AP*GP*(TX2)P*CP*TP*AP*CP*C)-3'), DNA (5'-D(P*AP*GP*GP*TP*AP*GP*AP*CP*TP*CP*GP*GP*AP*CP*GP*C)-3'), Formamidopyrimidine-DNA glycosylase, ... | | Authors: | Sung, R.J, Zhang, M, Qi, Y, Verdine, G.L. | | Deposit date: | 2012-07-16 | | Release date: | 2013-02-20 | | Last modified: | 2013-04-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural and Biochemical Analysis of DNA Helix Invasion by the Bacterial 8-Oxoguanine DNA Glycosylase MutM.
J.Biol.Chem., 288, 2013
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4OZR
 | | Crystal structure of the ligand binding domains of the Bovicola ovis ecdysone receptor EcR/USP heterodimer (methylene lactam crystal) | | Descriptor: | Ecdysone receptor, Retinoid X receptor | | Authors: | Ren, B, Peat, T.S, Streltsov, V.A, Pollard, M, Fernley, R, Grusovin, J, Seabrook, S, Pilling, P, Phan, T, Lu, L, Lovrecz, G.O, Graham, L.D, Hill, R.J. | | Deposit date: | 2014-02-18 | | Release date: | 2014-07-30 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Unprecedented conformational flexibility revealed in the ligand-binding domains of the Bovicola ovis ecdysone receptor (EcR) and ultraspiracle (USP) subunits.
Acta Crystallogr.,Sect.D, 70, 2014
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4G4N
 | | MutM containing M77A mutation bound to undamaged DNA | | Descriptor: | DNA (5'-D(*TP*GP*CP*GP*TP*CP*CP*GP*AP*GP*(TX2)P*CP*TP*AP*CP*C)-3'), DNA (5'-D(P*AP*GP*GP*TP*AP*GP*AP*CP*TP*CP*GP*GP*AP*CP*GP*C)-3'), Formamidopyrimidine-DNA glycosylase, ... | | Authors: | Sung, R.J, Zhang, M, Qi, Y, Verdine, G.L. | | Deposit date: | 2012-07-16 | | Release date: | 2013-02-20 | | Last modified: | 2013-11-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural and Biochemical Analysis of DNA Helix Invasion by the Bacterial 8-Oxoguanine DNA Glycosylase MutM.
J.Biol.Chem., 288, 2013
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4GBP
 | | Crystal Structure of BBBB+UDP+Gal at pH 10 with MPD as the cryoprotectant | | Descriptor: | Histo-blood group ABO system transferase, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ... | | Authors: | Johal, A.R, Alfaro, J.A, Blackler, R.J, Schuman, B, Borisova, S.N, Evans, S.V. | | Deposit date: | 2012-07-27 | | Release date: | 2013-12-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | pH-induced conformational changes in human ABO(H) blood group glycosyltransferases confirm the importance of electrostatic interactions in the formation of the semi-closed state.
Glycobiology, 24, 2014
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4G1F
 | | Crystal Structure of human Dipeptidyl Peptidase IV in complex with a pyridopyrimidinedione analogue | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-amino-6-(aminomethyl)-5-(2-bromophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione, ... | | Authors: | Skene, R.J, Gwaltney, S.L. | | Deposit date: | 2012-07-10 | | Release date: | 2013-02-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure-based design of pyridopyrimidinediones as dipeptidyl peptidase IV inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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5KCH
 | | SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy into weak electron density | | Descriptor: | 4-methoxy-N-[(pyridin-2-yl)methyl]aniline, DIMETHYL SULFOXIDE, Histone-lysine N-methyltransferase SETDB1, ... | | Authors: | Tempel, W, Harding, R.J, Mader, P, Dobrovetsky, E, Walker, J.R, Brown, P.J, Schapira, M, Collins, P, Pearce, N, Brandao-Neto, J, Douangamath, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Santhakumar, V, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-06-06 | | Release date: | 2016-07-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy
To Be Published
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