Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

7JTT
DownloadVisualize
BU of 7jtt by Molmil
The external aldimine crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-S377A in complex F9 inhibitor at the alpha-site and cesium ion at the metal coordination site. The single beta-Q114 rotamer conformation allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring
Descriptor: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine, 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J.
Deposit date:2020-08-18
Release date:2021-08-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:The external aldimine crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-S377A in complex F9 inhibitor at the alpha-site and cesium ion at the metal coordination site. The single beta-Q114 rotamer conformation allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring.
To be Published
7JMQ
DownloadVisualize
BU of 7jmq by Molmil
The external aldimine form of the mutant beta-S377A Salmonella thypi tryptophan synthase in open conformation showing dual side chain conformations for the residue beta-Q114, sodium ion at the metal coordination site, and F9 inhibitor at the alpha-site. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring
Descriptor: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine, 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J.
Deposit date:2020-08-02
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The external aldimine form of mutant beta-S377A Salmonella thypi tryptophan synthase in open conformation showing dual side chain conformations for the residue beta-Q114, sodium ion at the metal coordination site, and F9 inhibitor at the alpha-site. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring.
To be Published
3IAP
DownloadVisualize
BU of 3iap by Molmil
E. coli (lacZ) beta-galactosidase (E416Q)
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-galactosidase, DIMETHYL SULFOXIDE, ...
Authors:Lo, S, Dugdale, M.L, Jeerh, N, Ku, T, Roth, N.J, Huber, R.E.
Deposit date:2009-07-14
Release date:2009-12-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Studies of Glu-416 variants of beta-galactosidase (E. coli) show that the active site Mg(2+) is not important for structure and indicate that the main role of Mg (2+) is to mediate optimization of active site chemistry
Protein J., 29, 2010
7DPS
DownloadVisualize
BU of 7dps by Molmil
E. coli GyrB ATPase domain in complex with Methyl 4-hydroxycinnamate
Descriptor: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ...
Authors:Yu, Y, Zhou, H.
Deposit date:2020-12-21
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
3IAQ
DownloadVisualize
BU of 3iaq by Molmil
E. coli (lacz) beta-galactosidase (E416V)
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-galactosidase, DIMETHYL SULFOXIDE, ...
Authors:Lo, S, Dugdale, M.L, Jeerh, N, Ku, T, Roth, N.J, Huber, R.E.
Deposit date:2009-07-14
Release date:2009-12-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Studies of Glu-416 variants of beta-galactosidase (E. coli) show that the active site Mg(2+) is not important for structure and indicate that the main role of Mg (2+) is to mediate optimization of active site chemistry
Protein J., 29, 2010
3T0D
DownloadVisualize
BU of 3t0d by Molmil
E.coli (lacZ) beta-galactosidase (S796T) in complex with galactonolactone
Descriptor: Beta-galactosidase, D-galactonolactone, DIMETHYL SULFOXIDE, ...
Authors:Jancewicz, L.J, Wheatley, R.W, Sutendra, G, Lee, M, Fraser, M, Huber, R.E.
Deposit date:2011-07-20
Release date:2012-01-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Ser-796 of Beta-galactosidase (E. coli) plays a Key role in Maintaining an Optimum Balance between the Opened and Closed Conformations of the Catalytically Important Active Site Loop
Arch.Biochem.Biophys., 517, 2012
3T2Q
DownloadVisualize
BU of 3t2q by Molmil
E. coli (lacZ) beta-galactosidase (S796D) in complex with galactonolactone
Descriptor: Beta-galactosidase, D-galactonolactone, DIMETHYL SULFOXIDE, ...
Authors:Jancewicz, L.J, Wheatley, R.W, Sutendra, G, Lee, M, Fraser, M, Huber, R.E.
Deposit date:2011-07-22
Release date:2012-01-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Ser-796 of Beta-Galactosidase (E. coli) Plays a Key Role in Maintaining an Optimum Balance between the Opened and Closed Conformations of the Catalytically Important Active Site Loop
Arch.Biochem.Biophys., 517, 2012
3T2P
DownloadVisualize
BU of 3t2p by Molmil
E. coli (lacZ) beta-galactosidase (S796D) in complex with IPTG
Descriptor: 1-methylethyl 1-thio-beta-D-galactopyranoside, Beta-galactosidase, DIMETHYL SULFOXIDE, ...
Authors:Jancewicz, L.J, Wheatley, R.W, Sutendra, G, Lee, M, Fraser, M, Huber, R.E.
Deposit date:2011-07-22
Release date:2012-01-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Ser-796 of Beta-Galactosidase (E. coli) Plays a Key Role in Maintaining an Optimum Balance between the Opened and Closed Conformations of the Catalytically Important Active Site Loop
Arch.Biochem.Biophys., 517, 2012
3T0B
DownloadVisualize
BU of 3t0b by Molmil
E. coli (LacZ) beta-galactosidase (S796T) IPTG complex
Descriptor: 1-methylethyl 1-thio-beta-D-galactopyranoside, Beta-galactosidase, DIMETHYL SULFOXIDE, ...
Authors:Jancewicz, L.J, Wheatley, R.W, Sutendra, G, Lee, M, Fraser, M, Huber, R.E.
Deposit date:2011-07-19
Release date:2012-01-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:er-796 of Beta-Galactosidase (E. coli) Plays a Key Role in Maintaining an Optimum Balance between the Opened and Closed Conformations of the Catalytically Important Active Site Loop
Arch.Biochem.Biophys., 517, 2012
3T2O
DownloadVisualize
BU of 3t2o by Molmil
E. coli (lacZ) beta-galactosidase (S796D)
Descriptor: Beta-galactosidase, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
Authors:Jancewicz, L.J, Wheatley, R.W, Sutendra, G, Lee, M, Fraser, M, Huber, R.E.
Deposit date:2011-07-22
Release date:2012-01-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Ser-796 of Beta-Galactosidase (E. coli) Plays a Key Role in Maintaining an Optimum Balance between the Opened and Closed Conformations of the Catalytically Important Active Site Loop
Arch.Biochem.Biophys., 517, 2012
3T0A
DownloadVisualize
BU of 3t0a by Molmil
E. coli (LacZ) beta-galactosidase (S796T)
Descriptor: Beta-galactosidase, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
Authors:Jancewicz, L.J, Wheatley, R.W, Sutendra, G, Lee, M, Fraser, M, Huber, R.E.
Deposit date:2011-07-19
Release date:2012-01-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Ser-796 of Beta-Galactosidase (E. coli) Plays a Key Role in Maintaining an Optimum Balance between the Opened and Closed Conformations of the Catalytically Important Active Site Loop
Arch.Biochem.Biophys., 517, 2012
3T09
DownloadVisualize
BU of 3t09 by Molmil
E. coli (LacZ) beta-galactosidase (S796A) galactonolactone complex
Descriptor: Beta-galactosidase, D-galactonolactone, DIMETHYL SULFOXIDE, ...
Authors:Jancewicz, L.J, Wheatley, R.W, Sutendra, G, Lee, M, Fraser, M, Huber, R.E.
Deposit date:2011-07-19
Release date:2012-01-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Ser-796 of Beta-Galactosidase (E. coli) Plays a Key Role in Maintaining an Optimum Balance between the Opened and Closed Conformations of the Catalytically Important Active Site Loop
Arch.Biochem.Biophys., 517, 2012
1LCZ
DownloadVisualize
BU of 1lcz by Molmil
streptavidin-BCAP complex
Descriptor: E-AMINO BIOTINYL CAPROIC ACID, Streptavidin
Authors:Livnah, O, Pazy, Y, Bayer, E.A, Wilchek, M.
Deposit date:2002-04-08
Release date:2002-11-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Ligand exchange between proteins: exchange of biotin and biotin derivatives between avidin and streptavidin
J.Biol.Chem., 277, 2002
2YIR
DownloadVisualize
BU of 2yir by Molmil
Structural analysis of checkpoint kinase 2 in complex with inhibitor PV1352
Descriptor: (E)-N-(5-(2-CARBAMIMIDOYLHYDRAZONO)-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)-7-NITRO-1H-INDOLE-2-CARBOXAMIDE, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2
Authors:Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C, Zhang, G, Pommier, Y, Shoemaker, R.H, Waugh, D.S.
Deposit date:2011-05-16
Release date:2011-09-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-Ray Structures of Checkpoint Kinase 2 in Complex with Inhibitors that Target its Gatekeeper-Dependent Hydrophobic Pocket.
FEBS Lett., 585, 2011
3T08
DownloadVisualize
BU of 3t08 by Molmil
E. coli (LacZ) beta-galactosidase (S796A) IPTG complex
Descriptor: 1-methylethyl 1-thio-beta-D-galactopyranoside, Beta-galactosidase, DIMETHYL SULFOXIDE, ...
Authors:Jancewicz, L.J, Wheatley, R.W, Sutendra, G, Lee, M, Fraser, M, Huber, R.E.
Deposit date:2011-07-19
Release date:2012-01-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Ser-796 of Beta-Galactosidase (E. coli) Plays a Key Role in Maintaining an Optimum Balance between the Opened and Closed Conformations of the Catalytically Important Active Site Loop
Arch.Biochem.Biophys., 517, 2012
1YA4
DownloadVisualize
BU of 1ya4 by Molmil
Crystal Structure of Human Liver Carboxylesterase 1 in complex with tamoxifen
Descriptor: (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CES1 protein, ...
Authors:Fleming, C.D, Bencharit, S, Edwards, C.C, Hyatt, J.L, Morton, C.L, Howard-Williams, E.L, Potter, P.M, Redinbo, M.R.
Deposit date:2004-12-17
Release date:2005-08-02
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural insights into drug processing by human carboxylesterase 1: tamoxifen, mevastatin, and inhibition by benzil.
J.Mol.Biol., 352, 2005
3GK2
DownloadVisualize
BU of 3gk2 by Molmil
X-ray structure of bovine SBi279,Ca(2+)-S100B
Descriptor: (Z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide, CACODYLATE ION, CALCIUM ION, ...
Authors:Charpentier, T.H, Weber, D.J, Toth, E.A.
Deposit date:2009-03-09
Release date:2009-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.984 Å)
Cite:Small molecules bound to unique sites in the target protein binding cleft of calcium-bound S100B as characterized by nuclear magnetic resonance and X-ray crystallography.
Biochemistry, 48, 2009
4PKK
DownloadVisualize
BU of 4pkk by Molmil
Crystal structure of Macrophage Migration inhibitory factor in complex with furan-2-ylmethyl)imino methanethiol
Descriptor: (Z)-[(furan-2-ylmethyl)imino]methanethiol, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2014-05-14
Release date:2016-05-04
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal structure of Macrophage Migration inhibitory factor with a covalent inhibitor
To Be Published
4AVG
DownloadVisualize
BU of 4avg by Molmil
Influenza strain pH1N1 2009 polymerase subunit PA endonuclease in complex with diketo compound 2
Descriptor: (Z)-4-[4-[(4-chlorophenyl)methyl]-1-(cyclohexylmethyl)piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoic acid, MANGANESE (II) ION, POLYMERASE PA
Authors:Kowalinski, E, Zubieta, C, Wolkerstorfer, A, Szolar, O.H, Ruigrok, R.W, Cusack, S.
Deposit date:2012-05-25
Release date:2012-08-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Analysis of Specific Metal Chelating Inhibitor Binding to the Endonuclease Domain of Influenza Ph1N1 (2009) Polymerase.
Plos Pathog., 8, 2012
2Q94
DownloadVisualize
BU of 2q94 by Molmil
E. coli methionine aminopeptidase Mn-form with inhibitor A04
Descriptor: 5-[2-(TRIFLUOROMETHOXY)PHENYL]-2-FUROIC ACID, MANGANESE (II) ION, Methionine aminopeptidase, ...
Authors:Ye, Q.-Z.
Deposit date:2007-06-12
Release date:2008-01-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural analysis of inhibition of E. coli methionine aminopeptidase: implication of loop flexibility in selective inhibition of bacterial enzymes.
Bmc Struct.Biol., 7, 2007
3ODI
DownloadVisualize
BU of 3odi by Molmil
Crystal structure of cyclophilin A in complex with Voclosporin E-ISA247
Descriptor: Cyclophilin A, Voclosporin
Authors:Kuglstatter, A, Stihle, M, Benz, J, Hennig, M.
Deposit date:2010-08-11
Release date:2011-02-16
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for the cyclophilin A binding affinity and immunosuppressive potency of E-ISA247 (voclosporin).
Acta Crystallogr.,Sect.D, 67, 2011
2Q95
DownloadVisualize
BU of 2q95 by Molmil
E. coli methionine aminopeptidase Mn-form with inhibitor A05
Descriptor: 5-(2-CHLORO-4-NITROPHENYL)-2-FUROIC ACID, MANGANESE (II) ION, Methionine aminopeptidase, ...
Authors:Ye, Q.-Z.
Deposit date:2007-06-12
Release date:2008-01-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural analysis of inhibition of E. coli methionine aminopeptidase: implication of loop flexibility in selective inhibition of bacterial enzymes.
Bmc Struct.Biol., 7, 2007
2Q96
DownloadVisualize
BU of 2q96 by Molmil
E. coli methionine aminopeptidase Mn-form with inhibitor A18
Descriptor: 5-(2-CHLOROBENZYL)-2-FUROIC ACID, MANGANESE (II) ION, Methionine aminopeptidase, ...
Authors:Ye, Q.-Z.
Deposit date:2007-06-12
Release date:2008-01-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural analysis of inhibition of E. coli methionine aminopeptidase: implication of loop flexibility in selective inhibition of bacterial enzymes.
Bmc Struct.Biol., 7, 2007
2Q92
DownloadVisualize
BU of 2q92 by Molmil
E. coli methionine aminopeptidase Mn-form with inhibitor B23
Descriptor: 5-(2-NITROPHENYL)-2-FUROIC ACID, MANGANESE (II) ION, Methionine aminopeptidase, ...
Authors:Ye, Q.-Z.
Deposit date:2007-06-12
Release date:2008-01-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of inhibition of E. coli methionine aminopeptidase: implication of loop flexibility in selective inhibition of bacterial enzymes.
Bmc Struct.Biol., 7, 2007
2Q93
DownloadVisualize
BU of 2q93 by Molmil
E. coli methionine aminopeptidase Mn-form with inhibitor B21
Descriptor: 5-(2-METHOXYPHENYL)-2-FUROIC ACID, MANGANESE (II) ION, Methionine aminopeptidase, ...
Authors:Ye, Q.-Z.
Deposit date:2007-06-12
Release date:2008-01-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural analysis of inhibition of E. coli methionine aminopeptidase: implication of loop flexibility in selective inhibition of bacterial enzymes.
Bmc Struct.Biol., 7, 2007

238582

数据于2025-07-09公开中

PDB statisticsPDBj update infoContact PDBjnumon