6H5C
 
 | | Crystal structure of DHQ1 from Salmonella typhi covalently modified by ligand 1 | | Descriptor: | (1~{S},3~{R},4~{S},5~{R})-3-methyl-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic Acid, 3-dehydroquinate dehydratase | | Authors: | Sanz-Gaitero, M, Maneiro, M, Lence, E, Otero, J.M, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | | Deposit date: | 2018-07-24 | | Release date: | 2019-07-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Hydroxylammonium Derivatives for Selective Active-site Lysine Modification in the Anti-virulence Bacterial Target DHQ1 Enzyme.
Org Chem Front, 9, 2019
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6H5J
 | | Crystal structure of DHQ1 from Salmonella typhi covalently modified by ligand 4 | | Descriptor: | (3~{R})-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid, 3-dehydroquinate dehydratase | | Authors: | Otero, J.M, Maneiro, M, Lence, E, Sanz-Gaitero, M, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | | Deposit date: | 2018-07-24 | | Release date: | 2019-07-24 | | Last modified: | 2019-10-09 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Hydroxylammonium Derivatives for Selective Active-site Lysine Modification in the Anti-virulence Bacterial Target DHQ1 Enzyme.
Org Chem Front, 6, 2019
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6H25
 | | Human nuclear RNA exosome EXO-10-MPP6 complex | | Descriptor: | Exosome complex component CSL4, Exosome complex component MTR3, Exosome complex component RRP4, ... | | Authors: | Gerlach, P, Schuller, J.M, Falk, S, Basquin, J, Conti, E. | | Deposit date: | 2018-07-13 | | Release date: | 2018-08-15 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Distinct and evolutionary conserved structural features of the human nuclear exosome complex.
Elife, 7, 2018
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6GTT
 | | Human STK10 bound to BIRB-796 | | Descriptor: | 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, Serine/threonine-protein kinase 10 | | Authors: | Berger, B.T, Sorrell, F.J, von Delft, F, Bountra, C, Knapp, S, Edwards, A.M, Arrowsmith, C, Elkins, J.M. | | Deposit date: | 2018-06-19 | | Release date: | 2018-06-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | STK10 bound to BIRB-796
To Be Published
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6H5D
 | | Crystal structure of DHQ1 from Salmonella typhi covalently modified by ligand 2 | | Descriptor: | (1~{S},3~{S},4~{R},5~{R})-3-methyl-1,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid, 3-dehydroquinate dehydratase | | Authors: | Sanz-Gaitero, M, Maneiro, M, Lence, E, Otero, J.M, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | | Deposit date: | 2018-07-24 | | Release date: | 2019-07-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Hydroxylammonium Derivatives for Selective Active-site Lysine Modification in the Anti-virulence Bacterial Target DHQ1 Enzyme.
Org Chem Front, 9, 2019
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6GL8
 | | Crystal structure of Bcl-2 in complex with the novel orally active inhibitor S55746 | | Descriptor: | Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2, ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide | | Authors: | Casara, P, Davidson, J, Claperon, A, Le Toumelin-Braizat, G, Vogler, M, Bruno, A, Chanrion, M, Lysiak-Auvity, G, Le Diguarher, T, Starck, J.B, Chen, I, Whitehead, N, Graham, C, Matassova, N, Dokurno, P, Pedder, C, Wang, Y, Qiu, S, Girard, A.M, Schneider, E, Grave, F, Studeny, A, Guasconi, G, Rocchetti, F, Maiga, S, Henlin, J.M, Colland, F, Kraus-Berthier, L, Le Gouill, S, Dyer, M.J.S, Hubbard, R, Wood, M, Amiot, M, Cohen, G.M, Hickman, J.A, Morris, E, Murray, J, Geneste, O. | | Deposit date: | 2018-05-23 | | Release date: | 2018-11-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | S55746 is a novel orally active BCL-2 selective and potent inhibitor that impairs hematological tumor growth.
Oncotarget, 9, 2018
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6GKC
 | | 2 minute Fe2+ soak structure of SynFtn | | Descriptor: | FE (III) ION, Ferritin | | Authors: | Hemmings, A.M, Bradley, J.M. | | Deposit date: | 2018-05-18 | | Release date: | 2019-01-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Reaction of O2with a diiron protein generates a mixed-valent Fe2+/Fe3+center and peroxide.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6GR8
 | | Human AURKC INCENP complex bound to BRD-7880 | | Descriptor: | 1-[(2~{R},3~{S})-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-6-oxidanylidene-5-[(2~{S})-1-oxidanylpropan-2-yl]-3,4-dihydro-2~{H}-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea, Aurora kinase C, Inner centromere protein | | Authors: | Abdul Azeez, K.R, Sorrell, F.J, von Delft, F, Bountra, C, Knapp, S, Edwards, A.M, Arrowsmith, C, Elkins, J.M. | | Deposit date: | 2018-06-10 | | Release date: | 2019-05-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | AURKC INCENP complex bound to BRD-7880
To Be Published
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6H5G
 | | Crystal structure of DHQ1 from Salmonella typhi covalently modified by ligand 3 | | Descriptor: | (1~{R},3~{S},4~{R},5~{R})-3-methyl-4,5-bis(hydroxyl)cyclohexane-1-carboxylic acid, 3-dehydroquinate dehydratase | | Authors: | Sanz-Gaitero, M, Maneiro, M, Lence, E, Otero, J.M, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | | Deposit date: | 2018-07-24 | | Release date: | 2019-07-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Hydroxylammonium Derivatives for Selective Active-site Lysine Modification in the Anti-virulence Bacterial Target DHQ1 Enzyme.
Org Chem Front, 6, 2019
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6GLC
 | | Structure of phospho-Parkin bound to phospho-ubiquitin | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, E3 ubiquitin-protein ligase parkin, GLYCEROL, ... | | Authors: | Gladkova, C, Maslen, S.L, Skehel, J.M, Komander, D. | | Deposit date: | 2018-05-23 | | Release date: | 2018-06-13 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mechanism of parkin activation by PINK1.
Nature, 559, 2018
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3BOG
 | | Snow Flea Antifreeze Protein Quasi-racemate | | Descriptor: | 6.5 kDa glycine-rich antifreeze protein, UNKNOWN LIGAND | | Authors: | Pentelute, B.L, Kent, S.B.H, Gates, Z.P, Tereshko, V, Kossiakoff, A.A, Kurutz, J, Dashnau, J, Vaderkooi, J.M. | | Deposit date: | 2007-12-17 | | Release date: | 2008-09-23 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | X-ray structure of snow flea antifreeze protein determined by racemic crystallization of synthetic protein enantiomers
J.Am.Chem.Soc., 130, 2008
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1ZEI
 | | CROSS-LINKED B28 ASP INSULIN | | Descriptor: | CHLORIDE ION, INSULIN, M-CRESOL, ... | | Authors: | Whittingham, J.L, Edwards, E.J, Antson, A.A, Clarkson, J.M, Dodson, G.G. | | Deposit date: | 1998-07-14 | | Release date: | 1999-02-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Interactions of phenol and m-cresol in the insulin hexamer, and their effect on the association properties of B28 pro --> Asp insulin analogues.
Biochemistry, 37, 1998
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6J5W
 | | Ligand-triggered allosteric ADP release primes a plant NLR complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Disease resistance RPP13-like protein 4, RKS1 | | Authors: | Wang, J.Z, Wang, J, Hu, M.J, Wang, H.W, Zhou, J.M, Chai, J.J. | | Deposit date: | 2019-01-12 | | Release date: | 2019-04-03 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Ligand-triggered allosteric ADP release primes a plant NLR complex.
Science, 364, 2019
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1UXY
 | | MURB MUTANT WITH SER 229 REPLACED BY ALA, COMPLEX WITH ENOLPYRUVYL-UDP-N-ACETYLGLUCOSAMINE | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, URIDINE DIPHOSPHO-N-ACETYLENOLPYRUVYLGLUCOSAMINE REDUCTASE, URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL) BUTYRIC ACID | | Authors: | Benson, T.E, Walsh, C.T, Hogle, J.M. | | Deposit date: | 1996-11-08 | | Release date: | 1997-04-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray crystal structures of the S229A mutant and wild-type MurB in the presence of the substrate enolpyruvyl-UDP-N-acetylglucosamine at 1.8-A resolution.
Biochemistry, 36, 1997
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6J6I
 | | Reconstitution and structure of a plant NLR resistosome conferring immunity | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Disease resistance RPP13-like protein 4, Probable serine/threonine-protein kinase PBL2, ... | | Authors: | Wang, J.Z, Wang, J, Hu, M.J, Wang, H.W, Zhou, J.M, Chai, J.J. | | Deposit date: | 2019-01-15 | | Release date: | 2019-03-20 | | Last modified: | 2023-04-12 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Reconstitution and structure of a plant NLR resistosome conferring immunity.
Science, 364, 2019
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1VCA
 | | CRYSTAL STRUCTURE OF AN INTEGRIN-BINDING FRAGMENT OF VASCULAR CELL ADHESION MOLECULE-1 AT 1.8 ANGSTROMS RESOLUTION | | Descriptor: | HUMAN VASCULAR CELL ADHESION MOLECULE-1 | | Authors: | Jones, E.Y, Harlos, K, Bottomley, M.J, Robinson, R.C, Driscoll, P.C, Edwards, R.M, Clements, J.M, Dudgeon, T.J, Stuart, D.I. | | Deposit date: | 1995-03-21 | | Release date: | 1995-09-15 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of an integrin-binding fragment of vascular cell adhesion molecule-1 at 1.8 A resolution.
Nature, 373, 1995
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6J5T
 | | Reconstitution and structure of a plant NLR resistosome conferring immunity | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Disease resistance RPP13-like protein 4, Probable serine/threonine-protein kinase PBL2, ... | | Authors: | Wang, J.Z, Wang, J, Hu, M.J, Wang, H.W, Zhou, J.M, Chai, J.J. | | Deposit date: | 2019-01-12 | | Release date: | 2019-03-20 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Reconstitution and structure of a plant NLR resistosome conferring immunity.
Science, 364, 2019
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6J5U
 | | Ligand-triggered allosteric ADP release primes a plant NLR complex | | Descriptor: | Disease resistance RPP13-like protein 4, Probable serine/threonine-protein kinase PBL2, Protein kinase superfamily protein, ... | | Authors: | Wang, J.Z, Wang, J, Meijuan, H, Wang, H.W, Zhou, J.M, Chai, J.J. | | Deposit date: | 2019-01-12 | | Release date: | 2019-04-03 | | Last modified: | 2023-04-05 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Ligand-triggered allosteric ADP release primes a plant NLR complex.
Science, 364, 2019
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6H9G
 | | Influenza A nucleoprotein docked into 3D helical structure of the wild type ribonucleoprotein complex obtained using cryoEM. Conformation 1. | | Descriptor: | Nucleoprotein, Polypeptide loop | | Authors: | Coloma, R, Arranz, R, de la Rosa-Trevin, J.M, Sorzano, C.O.S, Munier, S, Carlero, D, Naffakh, N, Ortin, J, Martin-Benito, J. | | Deposit date: | 2018-08-03 | | Release date: | 2020-02-12 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (11 Å) | | Cite: | Structural insights into influenza A virus ribonucleoproteins reveal a processive helical track as transcription mechanism.
Nat Microbiol, 5, 2020
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6HGA
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6HGU
 | | Crystal Structure of an anti-APP-tag Fab | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, anti-APP-tag Fab heavy-chain, ... | | Authors: | Rondeau, J.M, Goepfert, A. | | Deposit date: | 2018-08-23 | | Release date: | 2019-11-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural Analysis Reveals that the Cytokine IL-17F Forms a Homodimeric Complex with Receptor IL-17RC to Drive IL-17RA-Independent Signaling.
Immunity, 52, 2020
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6HTM
 | | X-ray structure of the tryptophan lyase NosL in complex with bound tryptamin | | Descriptor: | 2-(1H-INDOL-3-YL)ETHANAMINE, 3-methyl-2-indolic acid synthase, 5'-DEOXYADENOSINE, ... | | Authors: | Amara, P, Mouesca, J.M, Bella, M, Saragaglia, C, Gambarelli, S, Nicolet, Y. | | Deposit date: | 2018-10-04 | | Release date: | 2018-11-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Radical S-Adenosyl-l-methionine Tryptophan Lyase (NosL): How the Protein Controls the Carboxyl Radical •CO2-Migration.
J.Am.Chem.Soc., 140, 2018
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6HK6
 | | Human RIOK2 bound to inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-naphthalen-2-yl-~{N}-pyridin-2-yl-ethanamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Wang, J, Krojer, T, Bountra, C, Edwards, A.M, Arrowsmith, C, Knapp, S, Elkins, J.M. | | Deposit date: | 2018-09-05 | | Release date: | 2018-10-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal structure of human RIOK2 bound to a specific inhibitor.
Open Biology, 9, 2019
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1G2G
 | | MINIMAL CONFORMATION OF THE ALPHA-CONOTOXIN IMI FOR THE ALPHA7 NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR RECOGNITION | | Descriptor: | ALPHA-CONOTOXIN IMI | | Authors: | Lamthanh, H, Jegou-Matheron, C, Servent, D, Menez, A, Lancelin, J.M. | | Deposit date: | 2000-10-19 | | Release date: | 2000-11-08 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Minimal conformation of the alpha-conotoxin ImI for the alpha7 neuronal nicotinic acetylcholine receptor recognition: correlated CD, NMR and binding studies.
FEBS Lett., 454, 1999
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1G10
 | | TOLUENE-4-MONOOXYGENASE CATALYTIC EFFECTOR PROTEIN NMR STRUCTURE | | Descriptor: | TOLUENE-4-MONOOXYGENASE CATALYTIC EFFECTOR | | Authors: | Hemmi, H, Studts, J.M, Chae, Y.K, Song, J, Markley, J.L, Fox, B.G. | | Deposit date: | 2000-10-10 | | Release date: | 2001-05-09 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the toluene 4-monooxygenase effector protein (T4moD).
Biochemistry, 40, 2001
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