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3CH7
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BU of 3ch7 by Molmil
Crystal structure of 6-phosphogluconolactonase from Leishmania braziliensis
Descriptor: 6-phosphogluconolactonase
Authors:Arakaki, T.L, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2008-03-07
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:6-phosphogluconolactonase from Leishmania braziliensis.
to be published
3MB4
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BU of 3mb4 by Molmil
Crystal Structure of the fifth Bromodomain of Human Poly-bromodomain containing protein 1 (PB1) with NMP
Descriptor: 1,2-ETHANEDIOL, 1-methylpyrrolidin-2-one, CHLORIDE ION, ...
Authors:Filippakopoulos, P, Picaud, S, Keates, T, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2010-03-25
Release date:2010-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
1PR3
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BU of 1pr3 by Molmil
Crystal Structure of the R103K Mutant of Aspartate Semialdehyde dehydrogenase from Haemophilus influenzae
Descriptor: Aspartate semialdehyde dehydrogenase, PHOSPHATE ION
Authors:Blanco, J, Moore, R.A, Faehnle, C.R, Coe, D.M, Viola, R.E.
Deposit date:2003-06-19
Release date:2004-07-27
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The role of substrate-binding groups in the mechanism of aspartate-beta-semialdehyde dehydrogenase.
Acta Crystallogr.,Sect.D, 60, 2004
3OT8
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BU of 3ot8 by Molmil
X-ray crystal structure of compound 17r bound to human Chk1 kinase domain
Descriptor: GLYCEROL, N-(3-methylisothiazol-5-yl)-3-(1-methyl-1H-pyrazol-4-yl)-5-[(3R)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine, Serine/threonine-protein kinase Chk1
Authors:Fischmann, T.O.
Deposit date:2010-09-10
Release date:2010-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6455 Å)
Cite:Discovery of pyrazolo[1,5-a]pyrimidine-based CHK1 inhibitors: A template-based approach-Part 1.
Bioorg.Med.Chem.Lett., 21, 2011
1PS8
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BU of 1ps8 by Molmil
Crystal Structure of the R270K Mutant of Aspartate Semialdehyde dehydrogenase from Haemophilus influenzae
Descriptor: Aspartate semialdehyde dehydrogenase
Authors:Blanco, J, Moore, R.A, Faehnle, C.R, Coe, D.M, Viola, R.E.
Deposit date:2003-06-20
Release date:2004-07-27
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The role of substrate-binding groups in the mechanism of aspartate-beta-semialdehyde dehydrogenase.
Acta Crystallogr.,Sect.D, 60, 2004
2GZ1
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BU of 2gz1 by Molmil
Structure of Aspartate Semialdehyde Dehydrogenase (ASADH) from Streptococcus pneumoniae complexed with NADP
Descriptor: Aspartate beta-semialdehyde dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Faehnle, C.R, Le Coq, J, Liu, X, Viola, R.E.
Deposit date:2006-05-10
Release date:2006-08-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Examination of key intermediates in the catalytic cycle of aspartate-beta-semialdehyde dehydrogenase from a gram-positive infectious bacteria.
J.Biol.Chem., 281, 2006
2GZ2
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BU of 2gz2 by Molmil
Structure of Aspartate Semialdehyde Dehydrogenase (ASADH) from Streptococcus pneumoniae complexed with 2',5'-ADP
Descriptor: ADENOSINE-2'-5'-DIPHOSPHATE, Aspartate beta-semialdehyde dehydrogenase
Authors:Faehnle, C.R, Le Coq, J, Liu, X, Viola, R.E.
Deposit date:2006-05-10
Release date:2006-08-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Examination of key intermediates in the catalytic cycle of aspartate-beta-semialdehyde dehydrogenase from a gram-positive infectious bacteria.
J.Biol.Chem., 281, 2006
2JSV
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BU of 2jsv by Molmil
Dipole tensor-based refinement for atomic-resolution structure determination of a nanocrystalline protein by solid-state NMR spectroscopy
Descriptor: Immunoglobulin G-binding protein G
Authors:Franks, W, Wylie, B.J, Frericks, H.L, Nieuwkoop, A.J, Mayrhofer, R, Shah, G.J, Graesser, D.T, Rienstra, C.M.
Deposit date:2007-07-16
Release date:2008-04-15
Last modified:2024-05-29
Method:SOLID-STATE NMR
Cite:Dipole tensor-based atomic-resolution structure determination of a nanocrystalline protein by solid-state NMR
Proc.Natl.Acad.Sci.Usa, 105, 2008
2GZ3
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BU of 2gz3 by Molmil
Structure of Aspartate Semialdehyde Dehydrogenase (ASADH) from Streptococcus pneumoniae complexed with NADP and aspartate-semialdehyde
Descriptor: (2R)-2-AMINO-4-OXOBUTANOIC ACID, Aspartate beta-semialdehyde dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Faehnle, C.R, Le Coq, J, Liu, X, Viola, R.E.
Deposit date:2006-05-10
Release date:2006-08-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Examination of key intermediates in the catalytic cycle of aspartate-beta-semialdehyde dehydrogenase from a gram-positive infectious bacteria.
J.Biol.Chem., 281, 2006
7XCL
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BU of 7xcl by Molmil
Crystal structure of trimethylamine methyltransferase MttB from Methanosarcina barkeri at 2.5 A resolution
Descriptor: GLYCEROL, SODIUM ION, Trimethylamine methyltransferase
Authors:Li, J, Chan, M.K.
Deposit date:2022-03-24
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Insights into pyrrolysine function from structures of a trimethylamine methyltransferase and its corrinoid protein complex.
Commun Biol, 6, 2023
7XCM
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BU of 7xcm by Molmil
Crystal structure of sulfite MttB structure at 3.2 A resolution
Descriptor: 3-METHYL-5-SULFO-PYRROLIDINE-2-CARBOXYLIC ACID, GLYCEROL, SODIUM ION, ...
Authors:Li, J, Chan, M.K.
Deposit date:2022-03-24
Release date:2023-01-18
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Insights into pyrrolysine function from structures of a trimethylamine methyltransferase and its corrinoid protein complex.
Commun Biol, 6, 2023
6EDI
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BU of 6edi by Molmil
Crystal structure of Leishmania braziliensis glucokinase
Descriptor: Glucokinase
Authors:Buechner, G.S, Millington, M.E, Perry, K, D'Antonio, E.L.
Deposit date:2018-08-09
Release date:2018-08-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The crystal structure of glucokinase from Leishmania braziliensis.
Mol. Biochem. Parasitol., 227, 2019
5TSQ
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BU of 5tsq by Molmil
Crystal structure of IUnH from Leishmania braziliensis in complex with D-Ribose
Descriptor: CALCIUM ION, IUnH, beta-D-ribofuranose
Authors:Bachega, J.F.R, Timmers, L.F.S.M, Dalberto, P.F, Martinelli, L, Pinto, A.F.M, Basso, L.A, Norberto de Souza, O, Santos, D.S.
Deposit date:2016-10-31
Release date:2016-12-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Crystal structure of IUnH from Leishmania braziliensis in complex with D-Ribose
To Be Published
5VN2
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BU of 5vn2 by Molmil
Crystal structure of 3-oxoacyl-[acyl-carrier protein] reductase from Brucella melitensis in complex with NAD
Descriptor: 1,2-ETHANEDIOL, 3-oxoacyl-(Acyl-carrier protein) reductase, ACETATE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-04-28
Release date:2017-05-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of 3-oxoacyl-[acyl-carrier protein] reductase from Brucella melitensis in complex with NAD
to be published
2R00
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BU of 2r00 by Molmil
crystal structure of aspartate semialdehyde dehydrogenase II complexed with ASA from vibrio cholerae
Descriptor: 2,2'-oxydiacetic acid, Aspartate-semialdehyde dehydrogenase
Authors:Viola, R.E, Liu, X, Ohren, J.F, Faehnle, C.R.
Deposit date:2007-08-17
Release date:2008-04-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:The structure of a redundant enzyme: a second isoform of aspartate beta-semialdehyde dehydrogenase in Vibrio cholerae.
Acta Crystallogr.,Sect.D, 64, 2008
2YV3
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BU of 2yv3 by Molmil
Crystal Structure of Aspartate Semialdehyde Dehydrogenase from Thermus thermophilus HB8
Descriptor: Aspartate-semialdehyde dehydrogenase
Authors:Kagawa, W, Fujikawa, N, Kurumizaka, H, Bessho, Y, Ellis, M.J, Antonyuk, S.V, Strange, R.W, Hasnain, S.S, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-04-07
Release date:2007-10-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of Aspartate Semialdehyde Dehydrogenase from Thermus thermophilus HB8
To be Published
3CXM
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BU of 3cxm by Molmil
Leishmania naiffi uracil-DNA glycosylase in complex with 5-bromouracil
Descriptor: 5-bromopyrimidine-2,4(1H,3H)-dione, BROMIDE ION, GLYCEROL, ...
Authors:Larson, E.T, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2008-04-24
Release date:2008-05-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structures of Leishmania naiffi uracil-DNA glycosylase in complex with several ligands identified with fragment cocktail crystallography.
To be Published
6HR2
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BU of 6hr2 by Molmil
Crystal structure of PROTAC 2 in complex with the bromodomain of human SMARCA4 and pVHL:ElonginC:ElonginB
Descriptor: (2~{S},4~{R})-~{N}-[[2-[2-[4-[[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenyl]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Roy, M, Bader, G, Diers, E, Trainor, N, Farnaby, W, Ciulli, A.
Deposit date:2018-09-26
Release date:2019-06-12
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design.
Nat.Chem.Biol., 15, 2019
3G0J
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BU of 3g0j by Molmil
Crystal Structure of the fifth Bromodomain of Human Poly-bromodomain containing protein 1 (PB1)
Descriptor: 1,2-ETHANEDIOL, NITRATE ION, Protein polybromo-1
Authors:Filippakopoulos, P, Keates, T, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2009-01-28
Release date:2009-02-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal Structure of the fifth Bromodomain of Human Poly-bromodomain containing protein 1 (PB1)
To be Published
3IU6
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BU of 3iu6 by Molmil
Crystal structure of the sixth bromodomain of human poly-bromodomain containing protein 1 (PB1)
Descriptor: 1,2-ETHANEDIOL, Protein polybromo-1, ZINC ION
Authors:Filippakopoulos, P, Keates, T, Picaud, S, Pike, A.C.W, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2009-08-30
Release date:2009-09-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3IU5
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BU of 3iu5 by Molmil
Crystal structure of the first bromodomain of human poly-bromodomain containing protein 1 (PB1)
Descriptor: Protein polybromo-1
Authors:Filippakopoulos, P, Picaud, S, Keates, T, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2009-08-30
Release date:2009-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3HMF
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BU of 3hmf by Molmil
Crystal Structure of the second Bromodomain of Human Poly-bromodomain containing protein 1 (PB1)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Protein polybromo-1, ...
Authors:Filippakopoulos, P, Picaud, S, Keates, T, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2009-05-29
Release date:2009-06-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
1RZV
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BU of 1rzv by Molmil
Crystal structure of the glycogen synthase from Agrobacterium tumefaciens (non-complexed form)
Descriptor: Glycogen synthase 1
Authors:Buschiazzo, A, Guerin, M.E, Ugalde, J.E, Ugalde, R.A, Shepard, W, Alzari, P.M.
Deposit date:2003-12-29
Release date:2004-08-31
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of glycogen synthase: homologous enzymes catalyze glycogen synthesis and degradation.
Embo J., 23, 2004
5FH7
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BU of 5fh7 by Molmil
Crystal structure of the fifth bromodomain of human PB1 in complex with compound 18
Descriptor: 1,2-ETHANEDIOL, 6-chloranyl-3-[(dimethylamino)methyl]-4~{H}-pyrrolo[1,2-a]quinazolin-5-one, Protein polybromo-1
Authors:Tallant, C, Sutherell, C.L, Siejka, P, Sorrell, F.J, Krojer, T, Picaud, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Ley, S.V, Knapp, S.
Deposit date:2015-12-21
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Identification and Development of 2,3-Dihydropyrrolo[1,2-a]quinazolin-5(1H)-one Inhibitors Targeting Bromodomains within the Switch/Sucrose Nonfermenting Complex.
J.Med.Chem., 59, 2016
5FH6
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Crystal structure of the fifth bromodomain of human PB1 in complex with compound 10
Descriptor: (3~{R})-3-(piperidin-1-ylmethyl)-2,3-dihydro-1~{H}-pyrrolo[1,2-a]quinazolin-5-one, Protein polybromo-1
Authors:Tallant, C, Sutherell, C.L, Siejka, P, Krojer, T, Picaud, S, Fonseca, M, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Ley, S.V, Knapp, S.
Deposit date:2015-12-21
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification and Development of 2,3-Dihydropyrrolo[1,2-a]quinazolin-5(1H)-one Inhibitors Targeting Bromodomains within the Switch/Sucrose Nonfermenting Complex.
J.Med.Chem., 59, 2016

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