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3GTH
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BU of 3gth by Molmil
D71G/E101G/M234I mutant in organophosphorus hydrolase from Deinococcus radiodurans
Descriptor: COBALT (II) ION, FORMIC ACID, Organophosphorus hydrolase
Authors:Hawwa, R, Larsen, S, Ratia, K, Mesecar, A.
Deposit date:2009-03-27
Release date:2009-06-30
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure-based and random mutagenesis approaches increase the organophosphate-degrading activity of a phosphotriesterase homologue from Deinococcus radiodurans.
J.Mol.Biol., 393, 2009
3GU2
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BU of 3gu2 by Molmil
Y97L/G100-/E101- mutant in organophosphorus hydrolase
Descriptor: COBALT (II) ION, Organophosphorus hydrolase
Authors:Hawwa, R, Larsen, S, Ratia, K, Mesecar, A.
Deposit date:2009-03-28
Release date:2009-06-30
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based and random mutagenesis approaches increase the organophosphate-degrading activity of a phosphotriesterase homologue from Deinococcus radiodurans.
J.Mol.Biol., 393, 2009
3GU9
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BU of 3gu9 by Molmil
R228A mutation in organophosphorus hydrolase from Deinococcus radiodurans
Descriptor: COBALT (II) ION, Organophosphorus hydrolase
Authors:Hawwa, R, Larsen, S, Ratia, K, Mesecar, A.
Deposit date:2009-03-28
Release date:2009-06-30
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structure-based and random mutagenesis approaches increase the organophosphate-degrading activity of a phosphotriesterase homologue from Deinococcus radiodurans.
J.Mol.Biol., 393, 2009
3GU1
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BU of 3gu1 by Molmil
Y97W mutant in organophosphorus hydrolase from Deinococcus radiodurans
Descriptor: COBALT (II) ION, GLYCEROL, Organophosphorus hydrolase
Authors:Hawwa, R, Larsen, S, Ratia, K, Mesecar, A.
Deposit date:2009-03-28
Release date:2009-06-30
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based and random mutagenesis approaches increase the organophosphate-degrading activity of a phosphotriesterase homologue from Deinococcus radiodurans.
J.Mol.Biol., 393, 2009
6CVK
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BU of 6cvk by Molmil
Hepatitis B e-antigen in complex with scFv e13
Descriptor: Capsid protein, Single chain variable fragment (scFv) e13
Authors:Eren, E, Steven, A.C, Wingfield, P.T.
Deposit date:2018-03-28
Release date:2018-08-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structures of Hepatitis B Virus Core- and e-Antigen Immune Complexes Suggest Multi-point Inhibition.
Structure, 26, 2018
6CVU
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BU of 6cvu by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with cytidine
Descriptor: 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, ATP-dependent dethiobiotin synthetase BioD, SULFATE ION
Authors:Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W.
Deposit date:2018-03-28
Release date:2018-11-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.426 Å)
Cite:Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes
Acs Catalysis, 8(11), 2018
3GAB
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BU of 3gab by Molmil
C-terminal domain of Bacillus subtilis MutL crystal form I
Descriptor: DNA mismatch repair protein mutL
Authors:Guarne, A, Pillon, M.C, Lorenowicz, J.J, Mitchell, R.R, Chung, Y.S, Friedhoff, P.
Deposit date:2009-02-17
Release date:2010-07-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the endonuclease domain of MutL: unlicensed to cut.
Mol.Cell, 39, 2010
6CWD
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BU of 6cwd by Molmil
Hepatitis B core-antigen in complex with scFv e13
Descriptor: Capsid protein, Single chain variable fragment (scFv) e13
Authors:Eren, E, Steven, A.C, Wingfield, P.T.
Deposit date:2018-03-30
Release date:2018-08-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.33 Å)
Cite:Structures of Hepatitis B Virus Core- and e-Antigen Immune Complexes Suggest Multi-point Inhibition.
Structure, 26, 2018
3GK1
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BU of 3gk1 by Molmil
X-ray structure of bovine SBi132,Ca(2+)-S100B
Descriptor: 2-[(5-hex-1-yn-1-ylfuran-2-yl)carbonyl]-N-methylhydrazinecarbothioamide, 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 (2.1 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
3GK2
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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
3GK4
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BU of 3gk4 by Molmil
X-ray structure of bovine SBi523,Ca(2+)-S100B
Descriptor: CALCIUM ION, Protein S100-B, ethyl 5-{[(1R)-1-(ethoxycarbonyl)-2-oxopropyl]sulfanyl}-1,2-dihydro[1,2,3]triazolo[1,5-a]quinazoline-3-carboxylate
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 (1.9 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
6CIX
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BU of 6cix by Molmil
Lactam cyclised mimetic of a fragment of p21
Descriptor: p21
Authors:Wegener, K.L.
Deposit date:2018-02-25
Release date:2018-07-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Rational Design of a 310-Helical PIP-Box Mimetic Targeting PCNA, the Human Sliding Clamp.
Chemistry, 24, 2018
6CEJ
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BU of 6cej by Molmil
Solution structure of a 14mer fragment of the p21 protein
Descriptor: Cyclin-dependent kinase inhibitor 1
Authors:Wegener, K.L.
Deposit date:2018-02-12
Release date:2018-07-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Rational Design of a 310-Helical PIP-Box Mimetic Targeting PCNA, the Human Sliding Clamp.
Chemistry, 24, 2018
3F4C
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BU of 3f4c by Molmil
Crystal structure of organophosphorus hydrolase from Geobacillus stearothermophilus strain 10, with glycerol bound
Descriptor: COBALT (II) ION, GLYCEROL, Organophosphorus hydrolase
Authors:Hawwa, R, Aikens, J, Turner, R.J, Santarsiero, B, Mesecar, A.
Deposit date:2008-10-31
Release date:2009-09-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural basis for thermostability revealed through the identification and characterization of a highly thermostable phosphotriesterase-like lactonase from Geobacillus stearothermophilus.
Arch.Biochem.Biophys., 488, 2009
4ALV
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BU of 4alv by Molmil
Benzofuropyrimidinone Inhibitors of Pim-1
Descriptor: 8-bromo-2-{2-chloro-4-[(piperidin-4-ylmethyl)amino]phenyl}[1]benzofuro[3,2-d]pyrimidin-4(3H)-one, IMIDAZOLE, SERINE/THREONINE-PROTEIN KINASE PIM-1
Authors:Stout, T.J, Adams, L.
Deposit date:2012-03-05
Release date:2013-01-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:The Design, Synthesis, and Biological Evaluation of Pim Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
3GX2
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BU of 3gx2 by Molmil
TteSAM-I riboswitch variant A94GU34C bound to sinefungin
Descriptor: MAGNESIUM ION, RNA (94-MER), SINEFUNGIN
Authors:Montange, R.K, Batey, R.T.
Deposit date:2009-04-01
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discrimination between Closely Related Cellular Metabolites by the SAM-I Riboswitch.
J.Mol.Biol., 396, 2010
3E33
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BU of 3e33 by Molmil
Protein farnesyltransferase complexed with FPP and ethylenediamine scaffold inhibitor 7
Descriptor: FARNESYL DIPHOSPHATE, N-benzyl-N-(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)-2-methylbenzenesulfonamide, Protein farnesyltransferase subunit beta, ...
Authors:Hast, M.A, Beese, L.S.
Deposit date:2008-08-06
Release date:2009-03-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for binding and selectivity of antimalarial and anticancer ethylenediamine inhibitors to protein farnesyltransferase.
Chem.Biol., 16, 2009
3WBN
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BU of 3wbn by Molmil
Crystal structure of MATE in complex with MaL6
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, MaL6, Putative uncharacterized protein
Authors:Tanaka, Y, Ishitani, R, Nureki, O.
Deposit date:2013-05-20
Release date:2013-06-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural basis for the drug extrusion mechanism by a MATE multidrug transporter.
Nature, 496, 2013
3E34
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BU of 3e34 by Molmil
Protein farnesyltransferase complexed with FPP and ethylenediamine-scaffold inhibitor 10
Descriptor: 3-{2'-[{[1-(tert-butoxycarbonyl)piperidin-4-yl]methyl}(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)sulfamoyl]biphenyl-3-yl}propanoic acid, FARNESYL DIPHOSPHATE, Protein farnesyltransferase subunit beta, ...
Authors:Hast, M.A, Beese, L.S.
Deposit date:2008-08-06
Release date:2009-03-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural basis for binding and selectivity of antimalarial and anticancer ethylenediamine inhibitors to protein farnesyltransferase.
Chem.Biol., 16, 2009
3GX6
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BU of 3gx6 by Molmil
Crystal structure of the T. tengcongensis SAM-I riboswitch variant U34C/A94G bound with SAM in manganese chloride
Descriptor: MANGANESE (II) ION, RNA (94-MER), S-ADENOSYLMETHIONINE
Authors:Montange, R.K, Batey, R.T.
Deposit date:2009-04-01
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discrimination between Closely Related Cellular Metabolites by the SAM-I Riboswitch.
J.Mol.Biol., 396, 2010
3WO6
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BU of 3wo6 by Molmil
Crystal structure of YidC from Bacillus halodurans (form I)
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CADMIUM ION, Membrane protein insertase YidC 2
Authors:Kumazaki, K, Tsukazaki, T, Ishitani, R, Nureki, O.
Deposit date:2013-12-20
Release date:2014-04-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.403 Å)
Cite:Structural basis of Sec-independent membrane protein insertion by YidC.
Nature, 509, 2014
3WOZ
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BU of 3woz by Molmil
Crystal structure of CLASP2 TOG domain (TOG3)
Descriptor: CLIP-associating protein 2
Authors:Hayashi, I, Maki, T.
Deposit date:2014-01-06
Release date:2015-05-27
Last modified:2018-10-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:CLASP2 Has Two Distinct TOG Domains That Contribute Differently to Microtubule Dynamics
J. Mol. Biol., 427, 2015
3W4T
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BU of 3w4t by Molmil
Crystal structure of MATE P26A mutant
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Putative uncharacterized protein
Authors:Tanaka, Y, Ishitani, R, Nureki, O.
Deposit date:2013-01-16
Release date:2013-04-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.096 Å)
Cite:Structural basis for the drug extrusion mechanism by a MATE multidrug transporter.
Nature, 496, 2013
3GX5
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BU of 3gx5 by Molmil
Crystal structure of T. tencongensis SAM-I riboswitch variant A94G/U34 bound with SAM
Descriptor: MAGNESIUM ION, POTASSIUM ION, RNA (94-MER), ...
Authors:Montange, R.K, Batey, R.T.
Deposit date:2009-04-01
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:Discrimination between Closely Related Cellular Metabolites by the SAM-I Riboswitch.
J.Mol.Biol., 396, 2010
3GTX
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BU of 3gtx by Molmil
D71G/E101G mutant in organophosphorus hydrolase from Deinococcus radiodurans
Descriptor: COBALT (II) ION, Organophosphorus hydrolase
Authors:Hawwa, R, Larsen, S, Ratia, K, Mesecar, A.
Deposit date:2009-03-28
Release date:2009-06-30
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structure-based and random mutagenesis approaches increase the organophosphate-degrading activity of a phosphotriesterase homologue from Deinococcus radiodurans.
J.Mol.Biol., 393, 2009

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