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1BKS
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BU of 1bks by Molmil
TRYPTOPHAN SYNTHASE (E.C.4.2.1.20) FROM SALMONELLA TYPHIMURIUM
Descriptor: PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, TRYPTOPHAN SYNTHASE
Authors:Hyde, C.C.
Deposit date:1998-07-10
Release date:1999-03-23
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Exchange of K+ or Cs+ for Na+ induces local and long-range changes in the three-dimensional structure of the tryptophan synthase alpha2beta2 complex.
Biochemistry, 35, 1996
6IOR
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BU of 6ior by Molmil
The ligand binding domain of Mlp24 with asparagine
Descriptor: ASPARAGINE, CALCIUM ION, Methyl-accepting chemotaxis protein
Authors:Takahashi, Y, Sumita, K, Nishiyama, S, Kawagishi, I, Imada, K.
Deposit date:2018-10-31
Release date:2019-03-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Calcium Ions Modulate Amino Acid Sensing of the Chemoreceptor Mlp24 ofVibrio cholerae.
J. Bacteriol., 201, 2019
5GTO
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BU of 5gto by Molmil
Human PPARgamma ligand binding dmain complexed with S35
Descriptor: 2-[4-[5-[(1~{S})-1-[(3,5-dimethoxyphenyl)carbamoyl-(phenylmethyl)carbamoyl]oxypropyl]-1,2-oxazol-3-yl]phenoxy]-2-methyl-propanoic acid, GLYCEROL, MYRISTIC ACID, ...
Authors:Jang, J.Y, Suh, S.W.
Deposit date:2016-08-22
Release date:2017-07-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for differential activities of enantiomeric PPAR gamma agonists: Binding of S35 to the alternate site.
Biochim. Biophys. Acta, 1865, 2017
5GTP
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BU of 5gtp by Molmil
The agonist-free structure of human PPARgamma ligand binding domain in the presence of the SRC-1 coactivator peptide
Descriptor: GLYCEROL, MYRISTIC ACID, Nuclear receptor coactivator 1, ...
Authors:Jang, J.Y, Suh, S.W.
Deposit date:2016-08-23
Release date:2017-07-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural basis for differential activities of enantiomeric PPAR gamma agonists: Binding of S35 to the alternate site.
Biochim. Biophys. Acta, 1865, 2017
6IOT
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BU of 6iot by Molmil
The ligand binding domain of Mlp24 with arginine
Descriptor: ARGININE, CALCIUM ION, Methyl-accepting chemotaxis protein
Authors:Takahashi, Y, Sumita, K, Nishiyama, S, Kawagishi, I, Imada, K.
Deposit date:2018-10-31
Release date:2019-03-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Calcium Ions Modulate Amino Acid Sensing of the Chemoreceptor Mlp24 ofVibrio cholerae.
J. Bacteriol., 201, 2019
4J76
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BU of 4j76 by Molmil
Crystal Structure of a parasite tRNA synthetase, ligand-free
Descriptor: GLYCEROL, Tryptophanyl-tRNA synthetase
Authors:Koh, C.Y, Kim, J.E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-02-12
Release date:2013-05-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Crystal structures of Plasmodium falciparum cytosolic tryptophanyl-tRNA synthetase and its potential as a target for structure-guided drug design.
Mol.Biochem.Parasitol., 189, 2013
4TW8
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BU of 4tw8 by Molmil
The Fk1-Fk2 domains of FKBP52 in complex with iFit-FL
Descriptor: 2-(5-{[({3-[(1R)-1-[({(2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetyl)amino]methyl}-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid, Peptidyl-prolyl cis-trans isomerase FKBP4
Authors:Gaali, S, Kirschner, A, Cuboni, S, Hartmann, J, Kozany, C, Balsevich, G, Namendorf, C, Fernandez-Vizarra, P, Almeida, O.F.X, Ruehter, G, Uhr, M, Schmidt, M.V, Touma, C, Bracher, A, Hausch, F.
Deposit date:2014-06-30
Release date:2014-11-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.003 Å)
Cite:Selective inhibitors of the FK506-binding protein 51 by induced fit.
Nat.Chem.Biol., 11, 2015
4TUY
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BU of 4tuy by Molmil
Tubulin-Rhizoxin complex
Descriptor: (1R,2R,3E,5R,7R,8S,10S,13E,16R)-8-hydroxy-10-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-2,7-dimethyl-6,11,19-trioxatricyclo[14.3.1.0~5,7~]icosa-3,13-diene-12,18-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Prota, A.E, Bargsten, K, Diaz, J.F, Marsh, M, Cuevas, C, Liniger, M, Neuhaus, C, Andreu, J.M, Altmann, K.H, Steinmetz, M.O.
Deposit date:2014-06-25
Release date:2014-08-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A new tubulin-binding site and pharmacophore for microtubule-destabilizing anticancer drugs.
Proc.Natl.Acad.Sci.USA, 111, 2014
6WI7
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BU of 6wi7 by Molmil
RING1B-BMI1 fusion in closed conformation
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, E3 ubiquitin-protein ligase RING2, Polycomb complex protein BMI-1 chimera, ...
Authors:Cho, H.J, Cierpicki, T.
Deposit date:2020-04-08
Release date:2021-04-14
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Small-molecule inhibitors targeting Polycomb repressive complex 1 RING domain.
Nat.Chem.Biol., 17, 2021
6WI8
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BU of 6wi8 by Molmil
Inhibitor compound-induced confrontational change in Ring1b-Bmi1 domain structure
Descriptor: E3 ubiquitin-protein ligase RING2,Polycomb complex protein BMI-1 chimera, ZINC ION
Authors:Cho, H.J, Cierpicki, T.
Deposit date:2020-04-09
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.092 Å)
Cite:Small-molecule inhibitors targeting Polycomb repressive complex 1 RING domain.
Nat.Chem.Biol., 17, 2021
6WHZ
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BU of 6whz by Molmil
Histone deacetylases complex with peptide macrocycles
Descriptor: Histone deacetylase 2, SODIUM ION, TETRAETHYLENE GLYCOL, ...
Authors:Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D.
Deposit date:2020-04-08
Release date:2021-04-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
8HS3
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BU of 8hs3 by Molmil
Gi bound orphan GPR20 in ligand-free state
Descriptor: Ggama, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Lin, X, Jiang, S, Xu, F.
Deposit date:2022-12-16
Release date:2023-03-08
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:The activation mechanism and antibody binding mode for orphan GPR20.
Cell Discov, 9, 2023
6RAE
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BU of 6rae by Molmil
Structural analysis of the Salmonella type III secretion system ATPase InvC
Descriptor: CHLORIDE ION, GLYCEROL, Secretory apparatus ATP synthase (Associated with virulence)
Authors:Bernal, I, Roemermann, J, Flacht, L, Lunelli, M, Uetrecht, C, Kolbe, M.
Deposit date:2019-04-05
Release date:2019-08-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.049 Å)
Cite:Structural analysis of ligand-bound states of the Salmonella type III secretion system ATPase InvC.
Protein Sci., 28, 2019
7NCB
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BU of 7ncb by Molmil
Glutathione-S-transferase GliG mutant H26A
Descriptor: Glutathione S-transferase GliG
Authors:Groll, M, Huber, E.M.
Deposit date:2021-01-28
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
7NC9
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BU of 7nc9 by Molmil
Glutathione-S-transferase GliG mutant H26N
Descriptor: 1,2-ETHANEDIOL, Glutathione S-transferase GliG
Authors:Groll, M, Huber, E.M.
Deposit date:2021-01-28
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
7NCM
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BU of 7ncm by Molmil
Glutathione-S-transferase GliG mutant E82A
Descriptor: 1,2-ETHANEDIOL, Glutathione S-transferase GliG
Authors:Groll, M, Huber, E.M.
Deposit date:2021-01-29
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
7NCU
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BU of 7ncu by Molmil
Glutathione-S-transferase GliG mutant K127G in complex with oxidized glutathione
Descriptor: 1,2-ETHANEDIOL, Glutathione S-transferase GliG, OXIDIZED GLUTATHIONE DISULFIDE
Authors:Groll, M, Huber, E.M.
Deposit date:2021-01-29
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
7NCT
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BU of 7nct by Molmil
Glutathione-S-transferase GliG mutant K127G
Descriptor: Glutathione S-transferase GliG
Authors:Groll, M, Huber, E.M.
Deposit date:2021-01-29
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
7NC2
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BU of 7nc2 by Molmil
Glutathione-S-transferase GliG (space group P3221)
Descriptor: Glutathione S-transferase GliG
Authors:Groll, M, Huber, E.M.
Deposit date:2021-01-28
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
7NCE
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BU of 7nce by Molmil
Glutathione-S-transferase GliG mutant N27A
Descriptor: 1,2-ETHANEDIOL, Glutathione S-transferase GliG
Authors:Groll, M, Huber, E.M.
Deposit date:2021-01-28
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
7NCL
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BU of 7ncl by Molmil
Glutathione-S-transferase GliG mutant E82Q
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Glutathione S-transferase GliG
Authors:Groll, M, Huber, E.M.
Deposit date:2021-01-29
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
7NC1
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BU of 7nc1 by Molmil
Glutathione-S-transferase GliG with partially disordered active site
Descriptor: ACETATE ION, Glutathione S-transferase GliG
Authors:Groll, M, Huber, E.M.
Deposit date:2021-01-28
Release date:2021-05-12
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
7NCD
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BU of 7ncd by Molmil
Glutathione-S-transferase GliG mutant N27D
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Glutathione S-transferase GliG, ...
Authors:Groll, M, Huber, E.M.
Deposit date:2021-01-28
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
7NC8
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BU of 7nc8 by Molmil
Glutathione-S-transferase GliG mutant S24A
Descriptor: 1,2-ETHANEDIOL, Glutathione S-transferase GliG
Authors:Groll, M, Huber, E.M.
Deposit date:2021-01-28
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
6RAD
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BU of 6rad by Molmil
Salmonella ATPase InvC with ADP
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ...
Authors:Bernal, I, Roemermann, J, Flacht, L, Lunelli, M, Uetrecht, C, Kolbe, M.
Deposit date:2019-04-05
Release date:2019-08-21
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.796 Å)
Cite:Structural analysis of ligand-bound states of the Salmonella type III secretion system ATPase InvC.
Protein Sci., 28, 2019

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