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2XGA
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MTSL spin-labelled Shigella Flexneri Spa15
Descriptor: S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, SURFACE PRESENTATION OF ANTIGENS PROTEIN SPAK
Authors:Lillington, J.E.D, Johnson, S, Lea, S.M.
Deposit date:2010-06-02
Release date:2010-12-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Shigella Flexneri Spa15 Crystal Structure Verified in Solution by Double Electron Electron Resonance.
J.Mol.Biol., 405, 2011
7P4E
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BU of 7p4e by Molmil
Crystal structure of PPARgamma in complex with compound FL217
Descriptor: 1,2-ETHANEDIOL, Peroxisome proliferator-activated receptor gamma, SULFATE ION, ...
Authors:Ni, X, Lillich, F, Proschak, E, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2021-07-11
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-Based Design of Dual Partial Peroxisome Proliferator-Activated Receptor gamma Agonists/Soluble Epoxide Hydrolase Inhibitors.
J.Med.Chem., 64, 2021
7P4K
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BU of 7p4k by Molmil
Soluble epoxide hydrolase in complex with FL217
Descriptor: Bifunctional epoxide hydrolase 2, ~{N}-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-[(3-fluorophenyl)methyl]indole-5-carboxamide
Authors:Ni, X, Kramer, J.S, Lillich, F, Proschak, E, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2021-07-11
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-Based Design of Dual Partial Peroxisome Proliferator-Activated Receptor gamma Agonists/Soluble Epoxide Hydrolase Inhibitors.
J.Med.Chem., 64, 2021
2YEQ
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BU of 2yeq by Molmil
Structure of PhoD
Descriptor: 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ALKALINE PHOSPHATASE D, ...
Authors:Lillington, J.E.D, Rodriguez, F, Roversi, P, Johnson, S.J, Berks, B, Lea, S.M.
Deposit date:2011-03-30
Release date:2012-04-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal Structure of the Bacillus Subtilis Phosphodiesterase Phod Reveals an Iron and Calcium-Containing Active Site.
J.Biol.Chem., 289, 2014
2O3P
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BU of 2o3p by Molmil
Crystal structure of Pim1 with Quercetin
Descriptor: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase Pim-1
Authors:Holder, S, Zemskova, M, Zhang, C, Tabrizizad, M, Bremer, R, Neidigh, J.W, Lilly, M.B.
Deposit date:2006-12-01
Release date:2007-02-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Characterization of a potent and selective small-molecule inhibitor of the PIM1 kinase.
Mol.Cancer Ther., 6, 2007
2O65
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BU of 2o65 by Molmil
Crystal structure of Pim1 with Pentahydroxyflavone
Descriptor: 5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase Pim-1
Authors:Holder, S, Zemskova, M, Zhang, C, Tabrizizad, M, Bremer, R, Neidigh, J.W, Lilly, M.B.
Deposit date:2006-12-06
Release date:2007-02-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Characterization of a potent and selective small-molecule inhibitor of the PIM1 kinase.
Mol.Cancer Ther., 6, 2007
2O64
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BU of 2o64 by Molmil
Crystal structure of Pim1 with Quercetagetin
Descriptor: 3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase Pim-1
Authors:Holder, S, Zemskova, M, Zhang, C, Tabrizizad, M, Bremer, R, Neidigh, J.W, Lilly, M.B.
Deposit date:2006-12-06
Release date:2007-02-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Characterization of a potent and selective small-molecule inhibitor of the PIM1 kinase.
Mol.Cancer Ther., 6, 2007
2O63
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BU of 2o63 by Molmil
Crystal structure of Pim1 with Myricetin
Descriptor: 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase Pim-1
Authors:Holder, S, Zemskova, M, Zhang, C, Tabrizizad, M, Bremer, R, Neidigh, J.W, Lilly, M.B.
Deposit date:2006-12-06
Release date:2007-02-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Characterization of a potent and selective small-molecule inhibitor of the PIM1 kinase.
Mol.Cancer Ther., 6, 2007
4AMF
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BU of 4amf by Molmil
Pseudomonas fluorescens PhoX in complex with the substrate analogue AppCp
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Yong, S.C, Roversi, P, Lillington, J.E.D, Zeldin, O.B, Garman, E.F, Lea, S.M, Berks, B.C.
Deposit date:2012-03-09
Release date:2013-03-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:A Complex Iron-Calcium Cofactor Catalyzing Phosphotransfer Chemistry
Science, 345, 2014
4ALF
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BU of 4alf by Molmil
Pseudomonas fluorescens PhoX in complex with phosphate
Descriptor: 1,2-ETHANEDIOL, ALKALINE PHOSPHATASE PHOX, CALCIUM ION, ...
Authors:Yong, S.C, Roversi, P, Lillington, J.E.D, Zeldin, O.B, Garman, E.F, Lea, S.M, Berks, B.C.
Deposit date:2012-03-02
Release date:2013-03-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:A Complex Iron-Calcium Cofactor Catalyzing Phosphotransfer Chemistry
Science, 345, 2014
4A9X
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BU of 4a9x by Molmil
Pseudomonas fluorescens PhoX in complex with the substrate analogue AppCp
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, MU-OXO-DIIRON, ...
Authors:Yong, S.C, Roversi, P, Lillington, J.E.D, Zeldin, O.B, Garman, E.F, Lea, S.M, Berks, B.C.
Deposit date:2011-11-29
Release date:2012-12-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:A Complex Iron-Calcium Cofactor Catalyzing Phosphotransfer Chemistry
Science, 345, 2014
4A9V
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BU of 4a9v by Molmil
Pseudomonas fluorescens PhoX
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Yong, S.C, Roversi, P, Lillington, J.E.D, Zeldin, O.B, Garman, E.F, Lea, S.M, Berks, B.C.
Deposit date:2011-11-28
Release date:2012-12-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:A Complex Iron-Calcium Cofactor Catalyzing Phosphotransfer Chemistry
Science, 345, 2014
3ZWU
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BU of 3zwu by Molmil
Pseudomonas fluorescens PhoX in complex with vanadate, a transition state analogue
Descriptor: ALKALINE PHOSPHATASE PHOX, CALCIUM ION, CHLORIDE ION, ...
Authors:Yong, S.C, Roversi, P, Lillington, J.E.D, Zeldin, O.B, Garman, E.F, Lea, S.M, Berks, B.C.
Deposit date:2011-08-02
Release date:2012-08-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:A Complex Iron-Calcium Cofactor Catalyzing Phosphotransfer Chemistry
Science, 345, 2014
2W8B
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BU of 2w8b by Molmil
Crystal structure of processed TolB in complex with Pal
Descriptor: ACETATE ION, GLYCEROL, PEPTIDOGLYCAN-ASSOCIATED LIPOPROTEIN, ...
Authors:Sharma, A, Bonsor, D.A, Kleanthous, C.
Deposit date:2009-01-15
Release date:2009-02-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Allosteric Beta-Propeller Signalling in Tolb and its Manipulation by Translocating Colicins.
Embo J., 28, 2009
5U3B
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BU of 5u3b by Molmil
Pseudomonas aeruginosa LpxC in complex with NVS-LPXC-01
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[(but-2-yn-1-yl)oxy]benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
Authors:Sprague, E.R.
Deposit date:2016-12-01
Release date:2017-06-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design, Synthesis, and Properties of a Potent Inhibitor of Pseudomonas aeruginosa Deacetylase LpxC.
J. Med. Chem., 60, 2017
5U39
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BU of 5u39 by Molmil
Pseudomonas aeruginosa LpxC in complex with CHIR-090
Descriptor: N-{(1S,2R)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Sprague, E.R.
Deposit date:2016-12-01
Release date:2017-06-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Design, Synthesis, and Properties of a Potent Inhibitor of Pseudomonas aeruginosa Deacetylase LpxC.
J. Med. Chem., 60, 2017
6CMI
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BU of 6cmi by Molmil
Crystal Structure of the Hendra Virus Attachment G Glycoprotein Bound to a Potent Cross-Reactive Neutralizing Human Monoclonal Antibody m102.3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein G, ...
Authors:Xu, K, Nikolov, D.
Deposit date:2018-03-05
Release date:2018-04-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Crystal structure of the Hendra virus attachment G glycoprotein bound to a potent cross-reactive neutralizing human monoclonal antibody.
PLoS Pathog., 9, 2013
6CMG
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BU of 6cmg by Molmil
Crystal Structure of the Hendra Virus Attachment G Glycoprotein Bound to a Potent Cross-Reactive Neutralizing Human Monoclonal Antibody m102.3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein G, ...
Authors:Xu, K, Nikolov, D.
Deposit date:2018-03-05
Release date:2018-04-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of the Hendra virus attachment G glycoprotein bound to a potent cross-reactive neutralizing human monoclonal antibody.
PLoS Pathog., 9, 2013
7B88
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BU of 7b88 by Molmil
Crystal structure of Retinoic Acid Receptor alpha (RXRA) in complexed with S99 inhibitor
Descriptor: 3-[5-[3,5-bis(chloranyl)phenyl]-4-phenyl-1,3-oxazol-2-yl]propanoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:Chaikuad, A, Schierle, S, Merk, D, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-12-12
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Oxaprozin Analogues as Selective RXR Agonists with Superior Properties and Pharmacokinetics.
J.Med.Chem., 64, 2021
7B9O
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BU of 7b9o by Molmil
Crystal structure of Retinoic Acid Receptor alpha (RXRA) in complexed with S169 inhibitor
Descriptor: 3-(5-(3,5-bis(trifluoromethyl)phenyl)-4-phenyloxazol-2-yl)propanoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:Ni, X, Chaikuad, A, Schierle, S, Merk, D, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-12-14
Release date:2021-02-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Oxaprozin Analogues as Selective RXR Agonists with Superior Properties and Pharmacokinetics.
J.Med.Chem., 64, 2021
4HQS
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BU of 4hqs by Molmil
Crystal structure of the pneumoccocal exposed lipoprotein thioredoxin sp_0659 (Etrx1) from Streptococcus pneumoniae strain TIGR4
Descriptor: GLYCEROL, MAGNESIUM ION, Thioredoxin family protein
Authors:Bartual, S.G, Saleh, M, Abdullah, M.R, Jensch, I, Asmat, T.M, Petruschka, L, Pribyl, T, Hermoso, J.A, Hammerschmidt, S.
Deposit date:2012-10-26
Release date:2013-12-25
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Molecular architecture of Streptococcus pneumoniae surface thioredoxin-fold lipoproteins crucial for extracellular oxidative stress resistance and maintenance of virulence.
EMBO Mol Med, 5, 2013
4HQZ
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BU of 4hqz by Molmil
Crystal structure of the pneumoccocal exposed lipoprotein thioredoxin sp_1000 (Etrx2) from Streptococcus pneumoniae strain TIGR4 in complex with 2-hydroxyethyl disulfide
Descriptor: 2-HYDROXYETHYL DISULFIDE, DI(HYDROXYETHYL)ETHER, Thioredoxin family protein
Authors:Bartual, S.G, Saleh, M, Abdullah, M.R, Jensch, I, Asmat, T.M, Petruschka, L, Pribyl, T, Hermoso, J.A, Hammerschmidt, S.
Deposit date:2012-10-26
Release date:2013-12-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Molecular architecture of Streptococcus pneumoniae surface thioredoxin-fold lipoproteins crucial for extracellular oxidative stress resistance and maintenance of virulence.
EMBO Mol Med, 5, 2013
5MWA
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BU of 5mwa by Molmil
human sEH Phosphatase in complex with 3-4-3,4-dichlorophenyl-5-phenyl-1,3-oxazol-2-yl-benzoic-acid
Descriptor: 3-[4-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazol-2-yl]benzoic acid, Bifunctional epoxide hydrolase 2, MAGNESIUM ION
Authors:Kramer, J.S, Pogoryelov, D, Sorrell, F.J, Fox, N, Chaikuad, A, Knapp, S, Proschak, E.
Deposit date:2017-01-18
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of first in vivo active inhibitors of soluble epoxide hydrolase (sEH) phosphatase domain.
J.Med.Chem., 2019
5OH0
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BU of 5oh0 by Molmil
The Cryo-Electron Microscopy Structure of the Type 1 Chaperone-Usher Pilus Rod
Descriptor: Type-1 fimbrial protein, A chain
Authors:Hospenthal, M.K, Costa, T.R.D, Redzej, A, Waksman, G.
Deposit date:2017-07-13
Release date:2017-11-22
Last modified:2019-10-23
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:The Cryoelectron Microscopy Structure of the Type 1 Chaperone-Usher Pilus Rod.
Structure, 25, 2017
8GHX
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BU of 8ghx by Molmil
Crystal Structure of CelD Cellulase from the Anaerobic Fungus Piromyces finnis
Descriptor: 1,2-ETHANEDIOL, Cellulase CelD
Authors:Dementieve, A, Kim, Y, Jedrzejczak, R, Michalska, K, Joachimiak, A.
Deposit date:2023-03-13
Release date:2023-05-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Structure and enzymatic characterization of CelD endoglucanase from the anaerobic fungus Piromyces finnis.
Appl.Microbiol.Biotechnol., 107, 2023

 

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