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5ALC
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BU of 5alc by Molmil
Ticagrelor antidote candidate Fab 72 in complex with ticagrelor
Descriptor: ANTI-TICAGRELOR FAB 72, HEAVY CHAIN, LIGHT CHAIN, ...
Authors:Buchanan, A, Newton, P, Pehrsson, S, Inghardt, T, Antonsson, T, Svensson, P, Sjogren, T, Oster, L, Janefeldt, A, Sandinge, A, Keyes, F, Austin, M, Spooner, J, Penney, M, Howells, G, Vaughan, T, Nylander, S.
Deposit date:2015-03-07
Release date:2015-04-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and Functional Characterisation of a Specific Antidote for Ticagrelor.
Blood, 125, 2015
4PSD
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BU of 4psd by Molmil
Structure of Trichoderma reesei cutinase native form.
Descriptor: Carbohydrate esterase family 5
Authors:Roussel, A, Amara, S, Nyyssola, A, Mateos-Diaz, E, Blangy, S, Kontkanen, H, Westerholm-Parvinen, A, Carriere, F, Cambillau, C.
Deposit date:2014-03-07
Release date:2014-09-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:A Cutinase from Trichoderma reesei with a Lid-Covered Active Site and Kinetic Properties of True Lipases.
J.Mol.Biol., 426, 2014
4PSE
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BU of 4pse by Molmil
Trichoderma reesei cutinase in complex with a C11Y4 phosphonate inhibitor
Descriptor: Carbohydrate esterase family 5, UNDECYL-PHOSPHINIC ACID BUTYL ESTER, octyl beta-D-glucopyranoside
Authors:Roussel, A, Amara, S, Nyyssola, A, Mateos-Diaz, E, Blangy, S, Kontkanen, H, Westerholm-Parvinen, A, Carriere, F, Cambillau, C.
Deposit date:2014-03-07
Release date:2014-09-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:A Cutinase from Trichoderma reesei with a Lid-Covered Active Site and Kinetic Properties of True Lipases.
J.Mol.Biol., 426, 2014
3EA0
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BU of 3ea0 by Molmil
Crystal Structure of ParA Family ATPase from Chlorobium tepidum TLS
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATPase, ParA family, ...
Authors:Kim, Y, Tesar, C, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-08-24
Release date:2008-09-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of ParA Family ATPase from Chlorobium tepidum TLS
To be Published
3EAG
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BU of 3eag by Molmil
The crystal structure of UDP-N-acetylmuramate:L-alanyl-gamma-D-glutamyl-meso-diaminopimelate ligase (MPL) from Neisseria meningitides
Descriptor: GLYCEROL, UDP-N-acetylmuramate:L-alanyl-gamma-D-glutamyl-meso-diaminopimelate ligase
Authors:Chang, C, Hendricks, R, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-08-25
Release date:2008-09-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The crystal structure of UDP-N-acetylmuramate:L-alanyl-gamma-D-glutamyl-meso-diaminopimelate ligase (MPL) from Neisseria meningitides
To be Published
3BV8
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BU of 3bv8 by Molmil
Crystal structure of the N-terminal domain of tetrahydrodipicolinate acetyltransferase from Staphylococcus aureus
Descriptor: GLYCEROL, SODIUM ION, Tetrahydrodipicolinate acetyltransferase
Authors:Cuff, M.E, Duggan, E, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-01-04
Release date:2008-02-05
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of the N-terminal domain of tetrahydrodipicolinate acetyltransferase from Staphylococcus aureus.
TO BE PUBLISHED
4HKH
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BU of 4hkh by Molmil
Structure of the Hcp1 protein from E. coli EAEC 042 pathovar, mutants N93W-S158W
Descriptor: Putative type VI secretion protein, SULFATE ION
Authors:Douzi, B, Spinelli, S, Derrez, E, Blangy, S, Brunet, Y.R, Cascales, E, Cambillau, C.
Deposit date:2012-10-15
Release date:2013-12-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structure of the Hcp1 protein from E. coli EAEC 042 pathovar, mutants N93W-S158W
To be Published
1QZR
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BU of 1qzr by Molmil
CRYSTAL STRUCTURE OF THE ATPASE REGION OF SACCHAROMYCES CEREVISIAE TOPOISOMERASE II BOUND TO ICRF-187 (DEXRAZOXANE)
Descriptor: (S)-4,4'-(1-METHYL-1,2-ETHANEDIYL)BIS-2,6-PIPERAZINEDIONE, DNA topoisomerase II, MAGNESIUM ION, ...
Authors:Classen, S, Olland, S, Berger, J.M.
Deposit date:2003-09-17
Release date:2003-09-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the topoisomerase II ATPase region and its mechanism of inhibition by the chemotherapeutic agent ICRF-187
Proc.Natl.Acad.Sci.USA, 100, 2003
2XX7
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BU of 2xx7 by Molmil
Crystal structure of 1-(4-(1-pyrrolidinylcarbonyl)phenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 2.2A resolution.
Descriptor: 1-[4-(1-PYRROLIDINYLCARBONYL)PHENYL]-3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE, GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, ...
Authors:Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P.
Deposit date:2010-11-09
Release date:2011-04-06
Last modified:2011-09-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators.
J.Med.Chem., 54, 2011
2XX9
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BU of 2xx9 by Molmil
Crystal structure of 1-((2-fluoro-4-(3-(trifluoromethyl)-4,5,6,7- tetrahydro-1H-indazol-1-yl)phenyl)methyl)-2-pyrrolidinone in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 2.2A resolution.
Descriptor: GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, N,N-DIMETHYL-4-[3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-1-YL]BENZAMIDE, ...
Authors:Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P.
Deposit date:2010-11-09
Release date:2011-04-06
Last modified:2011-09-28
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators.
J.Med.Chem., 54, 2011
2XXH
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BU of 2xxh by Molmil
Crystal structure of 1-(4-(2-oxo-2-(1-pyrrolidinyl)ethyl)phenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 1.5A resolution.
Descriptor: 1-{4-[2-OXO-2-(1-PYRROLIDINYL)ETHYL]PHENYL}-3-( TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE, GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, ...
Authors:Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P.
Deposit date:2010-11-10
Release date:2011-04-06
Last modified:2011-09-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators.
J.Med.Chem., 54, 2011
2XX8
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BU of 2xx8 by Molmil
Crystal structure of N,N-dimethyl-4-(3-(trifluoromethyl)-4,5,6,7- tetrahydro-1H-indazol-1-yl)benzamide in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 2.2A resolution.
Descriptor: GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, N,N-DIMETHYL-4-[3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-1-YL]BENZAMIDE, ...
Authors:Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P.
Deposit date:2010-11-09
Release date:2011-04-27
Last modified:2011-09-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators.
J.Med.Chem., 54, 2011
4O2H
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BU of 4o2h by Molmil
Crystal structure of BCAM1869 protein (RsaM homolog) from Burkholderia cenocepacia
Descriptor: protein BCAM1869
Authors:Michalska, K, Chhor, G, Clancy, S, Winans, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2013-12-17
Release date:2014-01-22
Last modified:2014-10-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:RsaM: a transcriptional regulator of Burkholderia spp. with novel fold.
Febs J., 281, 2014
2XF5
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BU of 2xf5 by Molmil
Crystal structure of Bacillus subtilis SPP1 phage gp23.1, a putative chaperone.
Descriptor: GP23.1
Authors:Veesler, D, Blangy, S, Lichiere, J, Ortiz-Lombardia, M, Tavares, P, Campanacci, V, Cambillau, C.
Deposit date:2010-05-20
Release date:2010-08-11
Last modified:2017-07-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Bacillus Subtilis Spp1 Phage Gp23.1, A Putative Chaperone.
Protein Sci., 19, 2010
1PVG
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BU of 1pvg by Molmil
Crystal Structure of the ATPase region of Saccharomyces Cerevisiae topoisomerase II
Descriptor: DNA topoisomerase II, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Classen, S, Olland, S, Berger, J.M.
Deposit date:2003-06-27
Release date:2003-08-26
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the topoisomerase II ATPase region and its mechanism of inhibition by the chemotherapeutic agent ICRF-187
Proc.Natl.Acad.Sci.USA, 100, 2003
5JMU
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BU of 5jmu by Molmil
The crystal structure of the catalytic domain of peptidoglycan N-acetylglucosamine deacetylase from Eubacterium rectale ATCC 33656
Descriptor: ACETATE ION, MAGNESIUM ION, Peptidoglycan N-acetylglucosamine deacetylase, ...
Authors:Tan, K, Gu, M, Clancy, S, Joachimiak, A.
Deposit date:2016-04-29
Release date:2016-06-29
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:The crystal structure of the catalytic domain of peptidoglycan N-acetylglucosamine deacetylase from Eubacterium rectale ATCC 33656 (CASP target)
To Be Published
2XXI
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BU of 2xxi by Molmil
Crystal structure of 1-((4-(3-(trifluoromethyl)-6,7-dihydropyrano(4,3- c(pyrazol-1(4H)-yl)phenyl)methyl)-2-pyrrolidinone in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 1.6A resolution.
Descriptor: 1-({4-[3-(TRIFLUOROMETHYL)-6,7-DIHYDROPYRANO[4,3-C]PYRAZOL-1(4H)-YL]PHENYL}METHYL)-2-PYRROLIDINONE, GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, ...
Authors:Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P.
Deposit date:2010-11-10
Release date:2011-04-06
Last modified:2011-09-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators.
J.Med.Chem., 54, 2011
2XF6
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BU of 2xf6 by Molmil
Crystal structure of Bacillus subtilis SPP1 phage gp23.1, a putative chaperone.
Descriptor: GP23.1
Authors:Veesler, D, Blangy, S, Lichiere, J, Ortiz-Lombardia, M, Tavares, P, Campanacci, V, Cambillau, C.
Deposit date:2010-05-20
Release date:2010-08-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Crystal Structure of Bacillus Subtilis Spp1 Phage Gp23.1, A Putative Chaperone.
Protein Sci., 19, 2010
2XF7
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BU of 2xf7 by Molmil
Crystal structure of Bacillus subtilis SPP1 phage gp23.1, a putative chaperone. High-resolution structure.
Descriptor: GP23.1
Authors:Veesler, D, Blangy, S, Lichiere, J, Ortiz-Lombardia, M, Tavares, P, Campanacci, V, Cambillau, C.
Deposit date:2010-05-20
Release date:2010-08-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Crystal Structure of Bacillus Subtilis Spp1 Phage Gp23.1, A Putative Chaperone.
Protein Sci., 19, 2010
5JH8
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BU of 5jh8 by Molmil
Crystal structure of chitinase from Chromobacterium violaceum ATCC 12472
Descriptor: (2S)-2-(dimethylamino)-4-(methylselanyl)butanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Chang, C, Michalska, K, Tesar, C, Clancy, S, Joachimiak, A.
Deposit date:2016-04-20
Release date:2016-05-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.018 Å)
Cite:Crystal structure of chitinase from Chromobacterium violaceum ATCC 12472
To Be Published
2ZC2
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BU of 2zc2 by Molmil
Crystal structure of DnaD-like replication protein from Streptococcus mutans UA159, gi 24377835, residues 127-199
Descriptor: DnaD-like replication protein, ZINC ION
Authors:Duke, N.E.C, Clancy, S, Duggan, E, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2007-11-02
Release date:2007-12-25
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of DnaD-like replication protein from Streptococcus mutans UA159.
To be Published
1QQT
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BU of 1qqt by Molmil
METHIONYL-TRNA SYNTHETASE FROM ESCHERICHIA COLI
Descriptor: METHIONYL-TRNA SYNTHETASE, ZINC ION
Authors:Mechulam, Y, Schmitt, E, Maveyraud, L, Zelwer, C, Nureki, O, Yokoyama, S, Konno, M, Blanquet, S.
Deposit date:1999-06-08
Release date:2000-01-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Crystal structure of Escherichia coli methionyl-tRNA synthetase highlights species-specific features.
J.Mol.Biol., 294, 1999
5C4Y
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BU of 5c4y by Molmil
Crystal structure of putative TetR family transcription factor from Listeria monocytogenes
Descriptor: 1,2-ETHANEDIOL, Putative transcription regulator Lmo0852
Authors:Chang, C, Tesar, C, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-06-18
Release date:2015-07-08
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal structure of putative TetR family transcription factor from Listeria monocytogenes
to be published
5C3M
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BU of 5c3m by Molmil
Crystal structure of Gan4C, a GH4 6-phospho-glucosidase from Geobacillus stearothermophilus
Descriptor: MANGANESE (II) ION, Putative 6-phospho-beta-glucosidase
Authors:Cohen, T, Lansky, S, Zehavi, A, Shoham, Y, Shoham, G.
Deposit date:2015-06-17
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.059 Å)
Cite:Crystal structure of Gan4C, a GH4 6-phospho-glucosidase from Geobacillus stearothermophilus
To Be Published
5CCR
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BU of 5ccr by Molmil
Human Cyclophilin D Complexed with Inhibitor
Descriptor: DI(HYDROXYETHYL)ETHER, FORMIC ACID, POTASSIUM ION, ...
Authors:Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y.
Deposit date:2015-07-02
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Human Cyclophilin D Complexed with Inhibitor
To Be Published

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