Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
5KSC
DownloadVisualize
BU of 5ksc by Molmil
E166A/R274N/R276N Toho-1 Beta-lactamase aztreonam acyl-enzyme intermediate
Descriptor: 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid, Beta-lactamase Toho-1
Authors:Vandavasi, V.G, Langan, P.S, Weiss, K, Parks, J.M, Cooper, J.B, Ginell, S.L, Coates, L.
Deposit date:2016-07-08
Release date:2016-11-09
Last modified:2019-12-04
Method:NEUTRON DIFFRACTION (2.1 Å)
Cite:Active-Site Protonation States in an Acyl-Enzyme Intermediate of a Class A beta-Lactamase with a Monobactam Substrate.
Antimicrob. Agents Chemother., 61, 2017
4XQD
DownloadVisualize
BU of 4xqd by Molmil
X-ray structure analysis of xylanase-WT at pH4.0
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y.
Deposit date:2015-01-19
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XQW
DownloadVisualize
BU of 4xqw by Molmil
X-ray structure analysis of xylanase-N44E with MES at pH6.0
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y.
Deposit date:2015-01-20
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XPV
DownloadVisualize
BU of 4xpv by Molmil
Neutron and X-ray structure analysis of xylanase: N44D at pH6
Descriptor: Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y.
Deposit date:2015-01-18
Release date:2015-09-30
Last modified:2023-09-27
Method:NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION
Cite:Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XQ4
DownloadVisualize
BU of 4xq4 by Molmil
X-ray structure analysis of xylanase - N44D
Descriptor: Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y.
Deposit date:2015-01-19
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
6C78
DownloadVisualize
BU of 6c78 by Molmil
Substrate Binding Induces Conformational Changes In A Class A Beta Lactamase That Primes It For Catalysis
Descriptor: Beta-lactamase Toho-1
Authors:Langan, P.S, Vandavasi, V.G, Cooper, S.J, Weiss, K.L, Ginell, S.L, Parks, J.M, Coates, L.
Deposit date:2018-01-22
Release date:2018-03-21
Last modified:2024-03-13
Method:NEUTRON DIFFRACTION (1.75 Å)
Cite:Substrate Binding Induces Conformational Changes in a Class A Beta-lactamase That Prime It for Catalysis
Acs Catalysis, 8, 2018
6C7A
DownloadVisualize
BU of 6c7a by Molmil
Conformational Changes in a Class A Beta lactamase that Prime it for Catalysis
Descriptor: Beta-lactamase Toho-1, SULFATE ION
Authors:Coates, L, Langan, P.S, Vandavasi, V.G, Cooper, S.J, Weiss, K.L, Ginell, S.L, Parks, J.M.
Deposit date:2018-01-22
Release date:2018-03-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Substrate Binding Induces Conformational Changes in a Class A Beta-lactamase That Prime It for Catalysis
Acs Catalysis, 8, 2018
6C79
DownloadVisualize
BU of 6c79 by Molmil
Conformational Changes in a Class A Beta lactamase that Prime it for Catalysis
Descriptor: (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid, Beta-lactamase Toho-1, SULFATE ION
Authors:Coates, L, Langan, P.S, Vandavasi, V.G, Cooper, S.J, Weiss, K.L, Ginell, S.L, Parks, J.M.
Deposit date:2018-01-22
Release date:2018-03-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Substrate Binding Induces Conformational Changes in a Class A Beta-lactamase That Prime It for Catalysis
Acs Catalysis, 8, 2018
5G18
DownloadVisualize
BU of 5g18 by Molmil
Direct Observation of Active-site Protonation States in a Class A beta lactamase with a monobactam substrate
Descriptor: 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid, BETA-LACTAMASE CTX-M-97, SULFATE ION
Authors:Vandavasi, V.G, Weiss, K.L, Parks, J.M, Cooper, J.B, Ginell, S.L, Coates, L.
Deposit date:2016-03-23
Release date:2016-11-09
Last modified:2019-10-23
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Active-Site Protonation States in an Acyl-Enzyme Intermediate of a Class A beta-Lactamase with a Monobactam Substrate.
Antimicrob. Agents Chemother., 61, 2017
5KWJ
DownloadVisualize
BU of 5kwj by Molmil
M.tb Ag85C modified at C209 by amino-ebselen
Descriptor: Diacylglycerol acyltransferase/mycolyltransferase Ag85C, ~{N}-(4-aminophenyl)-2-selanyl-benzamide
Authors:Goins, C.M, Ronning, D.R.
Deposit date:2016-07-18
Release date:2017-03-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Exploring Covalent Allosteric Inhibition of Antigen 85C from Mycobacterium tuberculosis by Ebselen Derivatives.
ACS Infect Dis, 3, 2017
5KWI
DownloadVisualize
BU of 5kwi by Molmil
M.tb Ag85C modified at C209 by adamantyl-ebselen
Descriptor: Diacylglycerol acyltransferase/mycolyltransferase Ag85C, ~{N}-(1-adamantyl)-2-selanyl-benzamide
Authors:Goins, C.M, Ronning, D.R.
Deposit date:2016-07-18
Release date:2017-03-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Exploring Covalent Allosteric Inhibition of Antigen 85C from Mycobacterium tuberculosis by Ebselen Derivatives.
ACS Infect Dis, 3, 2017
8EZC
DownloadVisualize
BU of 8ezc by Molmil
X-ray crystal structure of salmonella typhimurium Tryptophan synthase internal aldimine
Descriptor: SODIUM ION, Tryptophan synthase alpha chain, Tryptophan synthase beta chain
Authors:Drago, V.N, Mueser, T.C.
Deposit date:2022-10-31
Release date:2024-02-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Neutron diffraction from a microgravity-grown crystal reveals the active site hydrogens of the internal aldimine form of tryptophan synthase
Cell Rep Phys Sci, 5, 2024
8EYP
DownloadVisualize
BU of 8eyp by Molmil
Joint X-ray/neutron structure of Salmonella typhimurium tryptophan synthase internal aldimine from microgravity-grown crystal
Descriptor: SODIUM ION, Tryptophan synthase alpha chain, Tryptophan synthase beta chain
Authors:Drago, V.N, Kovalevsky, A, Blakeley, M.P, Forsyth, V.T, Mueser, T.C.
Deposit date:2022-10-28
Release date:2024-02-14
Last modified:2024-02-28
Method:NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION
Cite:Neutron diffraction from a microgravity-grown crystal reveals the active site hydrogens of the internal aldimine form of tryptophan synthase
Cell Rep Phys Sci, 5, 2024
8EYS
DownloadVisualize
BU of 8eys by Molmil
X-ray crystal structure of salmonella typhimurium Tryptophan synthase internal aldimine at pH 5.0
Descriptor: Tryptophan synthase alpha chain, Tryptophan synthase beta chain
Authors:Drago, V.N, Kovalevsky, A.Y, Mueser, T.C.
Deposit date:2022-10-28
Release date:2024-02-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Neutron diffraction from a microgravity-grown crystal reveals the active site hydrogens of the internal aldimine form of tryptophan synthase
Cell Rep Phys Sci, 5, 2024
2A2K
DownloadVisualize
BU of 2a2k by Molmil
Crystal Structure of an active site mutant, C473S, of Cdc25B Phosphatase Catalytic Domain
Descriptor: CHLORIDE ION, M-phase inducer phosphatase 2, SULFATE ION
Authors:Sohn, J, Parks, J, Buhrman, G, Brown, P, Kristjansdottir, K, Safi, A, Yang, W, Edelsbrunner, H, Rudolph, J.
Deposit date:2005-06-22
Release date:2006-01-03
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Experimental Validation of the Docking Orientation of Cdc25 with Its Cdk2-CycA Protein Substrate.
Biochemistry, 44, 2005
5E5J
DownloadVisualize
BU of 5e5j by Molmil
Joint X-ray/neutron structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with darunavir at pH 6.0
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease
Authors:Kovalevsky, A.Y, Gerlits, O.O.
Deposit date:2015-10-08
Release date:2016-05-04
Last modified:2024-03-06
Method:NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION
Cite:Long-Range Electrostatics-Induced Two-Proton Transfer Captured by Neutron Crystallography in an Enzyme Catalytic Site.
Angew.Chem.Int.Ed.Engl., 55, 2016
5E5K
DownloadVisualize
BU of 5e5k by Molmil
Joint X-ray/neutron structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with darunavir at pH 4.3
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, HIV-1 protease
Authors:Kovalevsky, A.Y, Das, A.
Deposit date:2015-10-08
Release date:2016-05-04
Last modified:2024-03-06
Method:NEUTRON DIFFRACTION (1.75 Å), X-RAY DIFFRACTION
Cite:Long-Range Electrostatics-Induced Two-Proton Transfer Captured by Neutron Crystallography in an Enzyme Catalytic Site.
Angew.Chem.Int.Ed.Engl., 55, 2016
4QE5
DownloadVisualize
BU of 4qe5 by Molmil
Room temperature X-ray structure of D-xylose isomerase in complex with two Mg2+ ions and L-ribulose
Descriptor: MAGNESIUM ION, Xylose isomerase, alpha-L-ribulofuranose
Authors:Kovalevsky, A.Y, Langan, P.
Deposit date:2014-05-15
Release date:2014-09-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
4QE4
DownloadVisualize
BU of 4qe4 by Molmil
Room temperature X-ray structure of D-xylose isomerase in complex with two Ni2+ ions and L-ribulose
Descriptor: NICKEL (II) ION, Xylose isomerase, beta-L-ribulofuranose
Authors:Kovalevsky, A.Y, Langan, P.
Deposit date:2014-05-15
Release date:2014-09-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
4QEH
DownloadVisualize
BU of 4qeh by Molmil
Room temperature X-ray structure of D-xylose isomerase in complex with two Mg2+ ions and L-ribose
Descriptor: MAGNESIUM ION, Xylose isomerase, beta-L-ribofuranose
Authors:Kovalevsky, A.Y, Langan, P.
Deposit date:2014-05-16
Release date:2014-09-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
4QDP
DownloadVisualize
BU of 4qdp by Molmil
Joint X-ray and neutron structure of Streptomyces rubiginosus D-xylose isomerase in complex with two Cd2+ ions and cyclic beta-L-arabinose
Descriptor: CADMIUM ION, Xylose isomerase, beta-L-arabinopyranose
Authors:Kovalevsky, A.Y, Langan, P.
Deposit date:2014-05-14
Release date:2014-09-03
Last modified:2024-02-28
Method:NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
Cite:L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
4QE1
DownloadVisualize
BU of 4qe1 by Molmil
Room temperature X-ray structure of D-xylose isomerase in complex with two Cd2+ ions and L-ribulose
Descriptor: CADMIUM ION, Xylose isomerase, alpha-L-ribulofuranose
Authors:Kovalevsky, A.Y, Langan, P.
Deposit date:2014-05-15
Release date:2014-09-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
4S2G
DownloadVisualize
BU of 4s2g by Molmil
Joint X-ray/neutron structure of Trichoderma reesei xylanase II at pH 5.8
Descriptor: Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Kovalevsky, A, Wan, Q, Langan, P.
Deposit date:2015-01-20
Release date:2015-09-23
Last modified:2019-12-25
Method:NEUTRON DIFFRACTION (1.6 Å), X-RAY DIFFRACTION
Cite:Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
4S2D
DownloadVisualize
BU of 4s2d by Molmil
Joint X-ray/neutron structure of Trichoderma reesei xylanase II in complex with MES at pH 5.7
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Kovalevsky, A.Y, Wan, Q, Langan, P.
Deposit date:2015-01-20
Release date:2015-09-23
Last modified:2019-12-25
Method:NEUTRON DIFFRACTION (1.6 Å), X-RAY DIFFRACTION
Cite:Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
4S2F
DownloadVisualize
BU of 4s2f by Molmil
Joint X-ray/neutron structure of Trichoderma reesei xylanase II at pH 4.4
Descriptor: Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Kovalevsky, A, Wan, Q, Langan, P.
Deposit date:2015-01-20
Release date:2015-09-23
Last modified:2019-12-25
Method:NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION
Cite:Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015

 

12>

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon