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3FGX
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BU of 3fgx by Molmil
Structure of uncharacterised protein rbstp2171 from bacillus stearothermophilus
Descriptor: RBSTP2171
Authors:Minasov, G, Filippova, E.V, Shuvalova, L, Moy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-12-08
Release date:2008-12-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of Uncharacterised Protein Rbstp2171 from Bacillus Stearothermophilus
To be Published
3FIX
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BU of 3fix by Molmil
Crystal structure of a putative n-acetyltransferase (ta0374) from thermoplasma acidophilum
Descriptor: 1,2-ETHANEDIOL, N-ACETYLTRANSFERASE
Authors:Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-12-12
Release date:2009-01-13
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the novel PaiA N-acetyltransferase from Thermoplasma acidophilum involved in the negative control of sporulation and degradative enzyme production.
Proteins, 79, 2011
3G25
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BU of 3g25 by Molmil
1.9 Angstrom Crystal Structure of Glycerol Kinase (glpK) from Staphylococcus aureus in Complex with Glycerol.
Descriptor: GLYCEROL, Glycerol kinase, PHOSPHATE ION, ...
Authors:Minasov, G, Skarina, T, Onopriyenko, O, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-01-30
Release date:2009-02-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:1.9 Angstrom Crystal Structure of Glycerol Kinase (glpK) from Staphylococcus aureus in Complex with Glycerol.
TO BE PUBLISHED
3FZY
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BU of 3fzy by Molmil
Crystal Structure of Pre-cleavage Form of Cysteine Protease Domain from Vibrio cholerae RtxA Toxin
Descriptor: CHLORIDE ION, INOSITOL HEXAKISPHOSPHATE, RTX toxin RtxA, ...
Authors:Shuvalova, L, Minasov, G, Prochazkova, K, Satchell, K.J.F, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-01-26
Release date:2009-02-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and molecular mechanism for autoprocessing of MARTX toxin of Vibrio cholerae at multiple sites
J.Biol.Chem., 284, 2009
3DZC
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BU of 3dzc by Molmil
2.35 Angstrom resolution structure of WecB (VC0917), a UDP-N-acetylglucosamine 2-epimerase from Vibrio cholerae.
Descriptor: CALCIUM ION, CHLORIDE ION, UDP-N-acetylglucosamine 2-epimerase
Authors:Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Kwon, K, Hasseman, J, Peterson, S.N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2008-07-29
Release date:2008-08-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:2.35 Angstrom resolution structure of WecB (VC0917), a UDP-N-acetylglucosamine 2-epimerase from Vibrio cholerae.
TO BE PUBLISHED
3GIU
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BU of 3giu by Molmil
1.25 Angstrom Crystal Structure of Pyrrolidone-Carboxylate Peptidase (pcp) from Staphylococcus aureus
Descriptor: ACETIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Minasov, G, Wawrzak, Z, Skarina, T, Onopriyenko, O, Peterson, S.N, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-03-06
Release date:2009-03-17
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:1.25 Angstrom Crystal Structure of Pyrrolidone-Carboxylate Peptidase (pcp) from Staphylococcus aureus
TO BE PUBLISHED
3GC2
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BU of 3gc2 by Molmil
1.85 Angstrom Crystal Structure of O-succinylbenzoate Synthase from Salmonella typhimurium in Complex with Succinic Acid
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, SODIUM ION, ...
Authors:Minasov, G, Wawrzak, Z, Skarina, T, Onopriyenko, O, Peterson, S.N, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-02-21
Release date:2009-03-10
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:1.85 Angstrom Crystal Structure of O-succinylbenzoate Synthase from Salmonella typhimurium in Complex with Succinic Acid
To be Published
3GA7
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BU of 3ga7 by Molmil
1.55 Angstrom Crystal Structure of an Acetyl Esterase from Salmonella typhimurium
Descriptor: Acetyl esterase, CHLORIDE ION
Authors:Minasov, G, Wawrzak, Z, Brunzelle, J, Onopriyenko, O, Skarina, T, Peterson, S.N, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-02-16
Release date:2009-02-24
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:1.55 Angstrom Crystal Structure of an Acetyl Esterase from Salmonella typhimurium.
TO BE PUBLISHED
3GE1
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BU of 3ge1 by Molmil
2.7 Angstrom Crystal Structure of Glycerol Kinase (glpK) from Staphylococcus aureus in Complex with ADP and Glycerol
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, GLYCEROL, ...
Authors:Minasov, G, Brunzelle, J, Skarina, T, Onopriyenko, O, Peterson, S.N, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-02-24
Release date:2009-03-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:2.7 Angstrom Crystal Structure of Glycerol Kinase (glpK) from Staphylococcus aureus in Complex with ADP and Glycerol
To be Published
3H0P
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BU of 3h0p by Molmil
2.0 Angstrom Crystal Structure of an Acyl Carrier Protein S-malonyltransferase from Salmonella typhimurium.
Descriptor: S-malonyltransferase, SULFATE ION
Authors:Minasov, G, Wawrzak, Z, Skarina, T, Onopriyenko, O, Peterson, S.N, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-04-10
Release date:2009-04-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:2.0 Angstrom Crystal Structure of an Acyl Carrier Protein S-malonyltransferase from Salmonella typhimurium.
TO BE PUBLISHED
3GSD
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BU of 3gsd by Molmil
2.05 Angstrom structure of a divalent-cation tolerance protein (CutA) from Yersinia pestis
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Minasov, G, Wawrzak, Z, Skarina, T, Onopriyenko, O, Peterson, S.N, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-03-26
Release date:2009-04-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:2.05 Angstrom Structure of a Divalent-cation Tolerance Protein (CutA) from Yersinia pestis
TO BE PUBLISHED
3H02
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BU of 3h02 by Molmil
2.15 Angstrom Resolution Crystal Structure of Naphthoate Synthase from Salmonella typhimurium.
Descriptor: BICARBONATE ION, Naphthoate synthase, SULFATE ION
Authors:Minasov, G, Wawrzak, Z, Skarina, T, Onopriyenko, O, Peterson, S.N, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-04-08
Release date:2009-04-21
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:2.15 Angstrom Resolution Crystal Structure of Naphthoate Synthase from Salmonella typhimurium.
TO BE PUBLISHED
3H83
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BU of 3h83 by Molmil
2.06 Angstrom resolution structure of a hypoxanthine-guanine phosphoribosyltransferase (hpt-1) from Bacillus anthracis str. 'Ames Ancestor'
Descriptor: Hypoxanthine phosphoribosyltransferase, PHOSPHATE ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
Authors:Halavaty, A.S, Shuvalova, L, Minasov, G, Dubrovska, I, Peterson, S.N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-04-28
Release date:2009-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:2.06 Angstrom resolution structure of a hypoxanthine-guanine phosphoribosyltransferase (hpt-1) from Bacillus anthracis str. 'Ames Ancestor'
To be Published
4OKG
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BU of 4okg by Molmil
LpxC from P.aeruginosa with the inhibitor 6-(benzimidazol-1-yl)-5-[4-[2-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridyl]ethynyl]phenyl]pyridine-3-carbohydroxamic acid
Descriptor: 6-(1H-benzimidazol-1-yl)-N-hydroxy-5-[4-({6-[(4-methylpiperazin-1-yl)methyl]pyridin-3-yl}ethynyl)phenyl]pyridine-3-carboxamide, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION
Authors:Olivier, N.B, Lahiri, S.D, Prince, D.B.
Deposit date:2014-01-22
Release date:2014-09-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Overexpression of Pseudomonas aeruginosa LpxC in the Presence of an Inhibitor in an acrB Deletion Escherichia coli strain for Structural Studies
Protein Express.Purif., 2014
1WBN
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BU of 1wbn by Molmil
fragment based p38 inhibitors
Descriptor: MITOGEN-ACTIVATED PROTEIN KINASE 14, N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-N'-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA
Authors:Cleasby, A, Devine, L.A, Gill, A.L, Jhoti, H.
Deposit date:2004-11-04
Release date:2005-11-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation.
J.Med.Chem., 48, 2005
4OWP
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BU of 4owp by Molmil
Crystal structure of rpn11 in a heterodimer complex with rpn8, representing the active portion of the proteasome lid.
Descriptor: 26S proteasome regulatory subunit RPN11, 26S proteasome regulatory subunit RPN8, ZINC ION
Authors:Yu, Z, Mansour, W, Nakasone, M.A, Glickman, M.H, Dvir, H.
Deposit date:2014-02-03
Release date:2015-08-05
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of rpn11 in a heterodimer complex with rpn8, representing the active portion of the proteasome lid.In preparation.
To Be Published
1WBO
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BU of 1wbo by Molmil
fragment based p38 inhibitors
Descriptor: 2-CHLOROPHENOL, MITOGEN-ACTIVATED PROTEIN KINASE 14
Authors:Cleasby, A, Devine, L, Gill, A, Jhoti, H.
Deposit date:2004-11-04
Release date:2005-01-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Fragment-Based Lead Discovery Using X-Ray Crystallography
J.Med.Chem., 48, 2005
1XJA
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BU of 1xja by Molmil
Apo form of the Y31V mutant dimerization domain fragment of Escherichia coli regulatory protein AraC
Descriptor: 1,2-ETHANEDIOL, Arabinose operon regulatory protein
Authors:Weldon, J.E, Larkin, C, Schleif, R.F.
Deposit date:2004-09-23
Release date:2004-10-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure and properties of a truely apo form of AraC dimerization domain.
Proteins, 66, 2007
1YQJ
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BU of 1yqj by Molmil
Crystal Structure of p38 Alpha in Complex with a Selective Pyridazine Inhibitor
Descriptor: 6((S)-3-BENZYLPIPERAZIN-1-YL)-3-(NAPHTHALEN-2-YL)-4-(PYRIDIN-4-YL)PYRAZINE, Mitogen-activated protein kinase 14, SULFATE ION
Authors:Tamayo, N, Liao, H, Goldberg, M, Syed, R, Li, V, Powers, D, Tudor, Y, Yu, V, Wong, M.L, Henkle, B, Middelton, S, Harvey, T, Jang, G, Hungate, R, Dominguez, C.
Deposit date:2005-02-01
Release date:2005-04-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and synthesis of potent pyridazine inhibitors of p38 MAP kinase.
Bioorg.Med.Chem.Lett., 15, 2005
1YR3
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BU of 1yr3 by Molmil
Escherichia coli purine nucleoside phosphorylase II, the product of the xapA gene
Descriptor: SULFATE ION, XANTHINE, Xanthosine phosphorylase
Authors:Dandanell, G, Szczepanowski, R.H, Kierdaszuk, B, Shugar, D, Bochtler, M.
Deposit date:2005-02-03
Release date:2005-04-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Escherichia coli purine nucleoside phosphorylase II, the product of the xapA gene
J.Mol.Biol., 348, 2005
4OAQ
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BU of 4oaq by Molmil
Crystal structure of the R-specific Carbonyl Reductase from Candida parapsilosis ATCC 7330
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ...
Authors:Aggrawal, N, Mandal, P.K, Gautham, N, Chadha, A.
Deposit date:2014-01-06
Release date:2015-02-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.858 Å)
Cite:Insights into the stereoselectivity of R-specific Carbonyl Reductase from Candida parapsilosis ATCC 7330: Biochemical Characterization and Crystal structure studies
To be Published
4OFX
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BU of 4ofx by Molmil
Crystal Structure of a Putative Cystathionine beta-Synthase from Coxiella burnetii
Descriptor: Cystathionine beta-synthase, SODIUM ION
Authors:Brunzelle, J.S, Wawrzak, Z, Onopriyenko, O, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-01-15
Release date:2014-02-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal Structure of a Putative Cystathionine beta-Synthase from Coxiella burnetii
To be Published
4OOI
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BU of 4ooi by Molmil
Reduced HlyU from Vibrio cholerae N16961
Descriptor: Transcriptional activator HlyU
Authors:Mukherjee, D, Datta, A.B, Chakrabarti, P.
Deposit date:2014-02-03
Release date:2014-12-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of HlyU, the hemolysin gene transcription activator, from Vibrio cholerae N16961 and functional implications
Biochim.Biophys.Acta, 1844, 2014
1ZYJ
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BU of 1zyj by Molmil
Human P38 MAP Kinase in Complex with Inhibitor 1a
Descriptor: 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Karpusas, M, Michelotti, E.L, Springman, E.B.
Deposit date:2005-06-10
Release date:2005-11-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Two classes of p38alpha MAP kinase inhibitors having a common diphenylether core but exhibiting divergent binding modes.
Bioorg.Med.Chem.Lett., 15, 2005
1ZZ2
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Two Classes of p38alpha MAP Kinase Inhibitors Having a Common Diphenylether Core but Exhibiting Divergent Binding Modes
Descriptor: Mitogen-activated protein kinase 14, N-[3-(4-FLUOROPHENOXY)PHENYL]-4-[(2-HYDROXYBENZYL)AMINO]PIPERIDINE-1-SULFONAMIDE, octyl beta-D-glucopyranoside
Authors:Michelotti, E.L, Moffett, K.K, Springman, E.B, Karpusas, M.
Deposit date:2005-06-13
Release date:2005-10-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Two classes of p38alpha MAP kinase inhibitors having a common diphenylether core but exhibiting divergent binding modes.
Bioorg.Med.Chem.Lett., 15, 2005

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