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4FRE
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BU of 4fre by Molmil
Crystal Structure of BBBB+UDP+Gal at pH 6.5 with MPD as the cryoprotectant
Descriptor: DI(HYDROXYETHYL)ETHER, Histo-blood group ABO system transferase, URIDINE-5'-DIPHOSPHATE, ...
Authors:Johal, A.R, Alfaro, J.A, Blackler, R.J, Schuman, B, Borisova, S.N, Evans, S.V.
Deposit date:2012-06-26
Release date:2013-12-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:pH-induced conformational changes in human ABO(H) blood group glycosyltransferases confirm the importance of electrostatic interactions in the formation of the semi-closed state.
Glycobiology, 24, 2014
3SWX
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BU of 3swx by Molmil
Crystal structure of a probable enoyl-CoA hydratase/isomerase from Mycobacterium abscessus
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Probable enoyl-CoA hydratase/isomerase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-07-14
Release date:2011-07-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4FRM
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BU of 4frm by Molmil
Crystal Structure of BBBB+UDP+Gal at pH 7.0 with MPD as the cryoprotectant
Descriptor: Histo-blood group ABO system transferase, URIDINE-5'-DIPHOSPHATE, beta-D-galactopyranose
Authors:Johal, A.R, Alfaro, J.A, Blackler, R.J, Schuman, B, Borisova, S.N, Evans, S.V.
Deposit date:2012-06-26
Release date:2013-12-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:pH-induced conformational changes in human ABO(H) blood group glycosyltransferases confirm the importance of electrostatic interactions in the formation of the semi-closed state.
Glycobiology, 24, 2014
3CZC
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BU of 3czc by Molmil
The Crystal Structure of a putative PTS IIB(PtxB) from Streptococcus mutans
Descriptor: RmpB
Authors:Lei, J, Su, X.D.
Deposit date:2008-04-29
Release date:2009-03-10
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Crystal structures of phosphotransferase system enzymes PtxB (IIB(Asc)) and PtxA (IIA(Asc)) from Streptococcus mutans
J.Mol.Biol., 386, 2009
3TE2
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BU of 3te2 by Molmil
Crystal structure of HSC K16S
Descriptor: TETRAETHYLENE GLYCOL, formate/nitrite transporter, octyl beta-D-glucopyranoside
Authors:Czyzewski, B.K, Wang, D.-N.
Deposit date:2011-08-11
Release date:2012-03-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification and characterization of a bacterial hydrosulphide ion channel.
Nature, 483, 2012
2PC0
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BU of 2pc0 by Molmil
Apo Wild-type HIV Protease in the open conformation
Descriptor: MAGNESIUM ION, Protease, R-1,2-PROPANEDIOL
Authors:Heaslet, H, Rosenfeld, R, Giffin, M.J, Elder, J.H, McRee, D.E, Stout, C.D.
Deposit date:2007-03-29
Release date:2007-06-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Conformational flexibility in the flap domains of ligand-free HIV protease.
Acta Crystallogr.,Sect.D, 63, 2007
3D0Q
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BU of 3d0q by Molmil
Crystal structure of calG3 from Micromonospora echinospora determined in space group I222
Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Protein CalG3
Authors:Bitto, E, Singh, S, Bingman, C.A, Wesenberg, G.E, Phillips Jr, G.N.
Deposit date:2008-05-02
Release date:2008-06-24
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Biochemical and structural insights of the early glycosylation steps in calicheamicin biosynthesis.
Chem.Biol., 15, 2008
4FKY
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BU of 4fky by Molmil
Crystal structure of nucleoside diphosphate kinase B from Trypanosoma brucei bound to GTP
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-06-13
Release date:2012-06-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of nucleoside diphosphate kinase B from Trypanosma brucei bound to GTP
To be Published
4FPF
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BU of 4fpf by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 2-[(3-Chlorobenzyl)ammonio]ethanesulfonate
Descriptor: 2-[(3-chlorobenzyl)amino]ethanesulfonic acid, DIMETHYL SULFOXIDE, Sialidase B
Authors:Brear, P.
Deposit date:2012-06-22
Release date:2012-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Synthesis and structural characterisation of selective non-carbohydrate-based inhibitors of bacterial sialidases.
Chembiochem, 13, 2012
4FOX
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BU of 4fox by Molmil
Crystal Structure of Mtb ThyA in complex with dUMP and Raltitrexed
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, TOMUDEX, Thymidylate synthase
Authors:Reddy, M.C.M, Bruning, J.B, Sacchettini, J.C, Harshbarger, W, TB Structural Genomics Consortium (TBSGC)
Deposit date:2012-06-21
Release date:2013-08-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of binary and ternary complexes of thymidylate synthase (ThyA) from Mycobacterium tuberculosis: Insights into the selectivity and mode of inhibition
To be Published
4D83
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BU of 4d83 by Molmil
Crystal Structure of Human Beta Secretase in Complex with NVP-BUR436, derived from a co-crystallization experiment
Descriptor: (3R,4S,5S)-3-[(3-tert-butylbenzyl)amino]-5-{[3-(2,2-difluoroethyl)-1H-indol-5-yl]methyl}tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1
Authors:Rondeau, J.M, Bourgier, E.
Deposit date:2012-01-10
Release date:2012-11-21
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides
J.Med.Chem., 55, 2012
4D8N
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BU of 4d8n by Molmil
Human Kallikrein 6 Inhibitors with a para-Amidobenzylanmine P1 Group Carry a High Binding Efficiency
Descriptor: 2-{[4-(aminomethyl)phenyl]carbamoyl}-1-[(1-benzyl-1H-imidazol-2-yl)methyl]-3-hydroxypyridinium, Kallikrein-6
Authors:Chen, X, Xia, T, Wang, R.
Deposit date:2012-01-11
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Human kallikrein 6 inhibitors with a para-amidobenzylanmine P1 group identified through virtual screening.
Bioorg.Med.Chem.Lett., 22, 2012
2PEQ
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BU of 2peq by Molmil
Crystal structure of RbcX, crystal form II
Descriptor: ORF134
Authors:Saschenbrecker, S, Bracher, A, Vasudeva Rao, K, Vasudeva Rao, B, Hartl, F.U, Hayer-Hartl, M.
Deposit date:2007-04-03
Release date:2007-07-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and Function of RbcX, an Assembly Chaperone for Hexadecameric Rubisco.
Cell(Cambridge,Mass.), 129, 2007
4D9U
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BU of 4d9u by Molmil
Rsk2 C-terminal Kinase Domain, (E)-tert-butyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyanoacrylate
Descriptor: Ribosomal protein S6 kinase alpha-3, SODIUM ION, tert-butyl (2S)-3-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyanopropanoate
Authors:Serafimova, I.M, Pufall, M.A, Krishnan, S, Duda, K, Cohen, M.S, Maglathlin, R.L, McFarland, J.M, Miller, R.M, Frodin, M, Taunton, J.
Deposit date:2012-01-12
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Reversible targeting of noncatalytic cysteines with chemically tuned electrophiles.
Nat.Chem.Biol., 8, 2012
3D4M
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BU of 3d4m by Molmil
Glutaredoxin 2 oxidized structure
Descriptor: Glutaredoxin-2, mitochondrial
Authors:Discola, K.F, de Oliveira, M.A, Barcena, J.A, Porras, P, Guimaraes, B.G, Netto, L.E.S.
Deposit date:2008-05-14
Release date:2008-10-28
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural aspects of the distinct biochemical properties of glutaredoxin 1 and glutaredoxin 2 from Saccharomyces cerevisiae.
J.Mol.Biol., 385, 2009
2P0G
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BU of 2p0g by Molmil
Crystal structure of Selenoprotein W-related protein from Vibrio cholerae. Northeast Structural Genomics target VcR75
Descriptor: Selenoprotein W-related protein
Authors:Benach, J, Neely, H, Seetharaman, J, Ho, C.K, Janjua, H, Cunningham, K, Ma, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-02-28
Release date:2007-03-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of Selenoprotein W-related protein from Vibrio cholerae.
To be Published
2GHP
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BU of 2ghp by Molmil
Crystal structure of the N-terminal 3 RNA binding domains of the yeast splicing factor Prp24
Descriptor: U4/U6 snRNA-associated splicing factor PRP24
Authors:Bae, E, Wesenberg, G.E, Phillips Jr, G.N, Bitto, E, Bingman, C.A, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2006-03-27
Release date:2006-04-25
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure and interactions of the first three RNA recognition motifs of splicing factor prp24.
J.Mol.Biol., 367, 2007
2P0Y
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BU of 2p0y by Molmil
Crystal structure of Q88YI3_LACPL from Lactobacillus plantarum. Northeast Structural Genomics Consortium target LpR6
Descriptor: Hypothetical protein lp_0780
Authors:Benach, J, Chen, Y, Seetharaman, J, Chi, K.H, Janjua, H, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-03-01
Release date:2007-03-27
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of Q88YI3_LACPL from Lactobacillus plantarum.
To be Published
4FU6
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BU of 4fu6 by Molmil
Crystal structure of the PSIP1 PWWP domain
Descriptor: GLYCEROL, PC4 and SFRS1-interacting protein, SULFATE ION, ...
Authors:Qin, S, Tempel, W, Xu, C, Wu, H, Dong, A, Cerovina, T, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2012-06-28
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and function of the nucleosome-binding PWWP domain.
Trends Biochem.Sci., 39, 2014
3T4P
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BU of 3t4p by Molmil
Crystal structure of O-Acetyl Serine Sulfhydrylase from Leishmania donovani in complex with designed tetrapeptide
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, O-acetyl serine sulfhydrylase, ...
Authors:Raj, I, Gourinath, S.
Deposit date:2011-07-26
Release date:2012-08-01
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:The narrow active-site cleft of O-acetylserine sulfhydrylase from Leishmania donovani allows complex formation with serine acetyltransferases with a range of C-terminal sequences
Acta Crystallogr.,Sect.D, 68, 2012
4FUP
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BU of 4fup by Molmil
Structural basis for Zn2+-dependent intercellular adhesion in staphylococcal biofilms
Descriptor: Accumulation associated protein, ZINC ION
Authors:Conrady, D.G, Wilson, J.J, Herr, A.B.
Deposit date:2012-06-28
Release date:2013-01-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structural basis for Zn2+-dependent intercellular adhesion in staphylococcal biofilms.
Proc.Natl.Acad.Sci.USA, 110, 2013
3T8J
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BU of 3t8j by Molmil
Structural analysis of thermostable S. solfataricus pyrimidine-specific nucleoside hydrolase
Descriptor: Purine nucleosidase, (IunH-1), SODIUM ION
Authors:Minici, C, Cacciapuoti, G, De Leo, E, Porcelli, M, Degano, M.
Deposit date:2011-08-01
Release date:2012-05-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:New Determinants in the Catalytic Mechanism of Nucleoside Hydrolases from the Structures of Two Isozymes from Sulfolobus solfataricus.
Biochemistry, 51, 2012
2P1E
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BU of 2p1e by Molmil
Crystal structure of the Leishmania infantum glyoxalase II with D-Lactate at the active site
Descriptor: Glyoxalase II, LACTIC ACID, SPERMIDINE, ...
Authors:Trincao, J, Barata, L, Najmudin, S, Bonifacio, C, Romao, M.J.
Deposit date:2007-03-05
Release date:2008-01-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Catalysis and Structural Properties of Leishmania infantum Glyoxalase II: Trypanothione Specificity and Phylogeny.
Biochemistry, 47, 2008
2P2J
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BU of 2p2j by Molmil
Acetyl-CoA Synthetase, K609A mutation
Descriptor: ADENOSINE-5'-MONOPHOSPHATE-PROPYL ESTER, Acetyl-coenzyme A synthetase, COENZYME A
Authors:Reger, A.S, Gulick, A.M.
Deposit date:2007-03-07
Release date:2007-05-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Biochemical and Crystallographic Analysis of Substrate Binding and Conformational Changes in Acetyl-CoA Synthetase.
Biochemistry, 46, 2007
3T6P
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BU of 3t6p by Molmil
IAP antagonist-induced conformational change in cIAP1 promotes E3 ligase activation via dimerization
Descriptor: Baculoviral IAP repeat-containing protein 2, ZINC ION
Authors:Dueber, E.C, Schoeffler, A.J, Lingel, A, Elliott, M, Fedorova, A.V, Giannetti, A.M, Zobel, K, Maurer, B, Varfolomeev, E, Wu, P, Wallweber, H, Hymowitz, S, Deshayes, K, Vucic, D, Fairbrother, W.J.
Deposit date:2011-07-28
Release date:2011-11-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.897 Å)
Cite:Antagonists induce a conformational change in cIAP1 that promotes autoubiquitination.
Science, 334, 2011

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