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4LQ6
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BU of 4lq6 by Molmil
Crystal structure of Rv3717 reveals a novel amidase from M. tuberculosis
Descriptor: CHLORIDE ION, N-acetymuramyl-L-alanine amidase-related protein, PLATINUM (II) ION, ...
Authors:Kumar, A, Kumar, S, Kumar, D, Mishra, A, Dewangan, R.P, Shrivastava, P, Ramachandran, S, Taneja, B.
Deposit date:2013-07-17
Release date:2013-12-04
Last modified:2014-01-15
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:The structure of Rv3717 reveals a novel amidase from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.D, 69, 2013
4LS9
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BU of 4ls9 by Molmil
Structure of mycobacterial nrnA homolog reveals multifunctional nuclease activities
Descriptor: DHH family protein, GLYCEROL, MANGANESE (II) ION
Authors:Kumar, D, Srivastav, R, Grover, A, Manjasetty, B.A, Sharma, R, Taneja, B.
Deposit date:2013-07-22
Release date:2014-07-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Unique subunit packing in mycobacterial nanoRNase leads to alternate substrate recognitions in DHH phosphodiesterases
Nucleic Acids Res., 42, 2014
3P9N
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BU of 3p9n by Molmil
Rv2966c of M. tuberculosis is a RsmD-like methyltransferase
Descriptor: ACETATE ION, POSSIBLE METHYLTRANSFERASE (METHYLASE)
Authors:Kumar, A, Malhotra, K, Saigal, K, Sinha, K.M, Taneja, B.
Deposit date:2010-10-18
Release date:2011-04-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and functional characterization of Rv2966c protein reveals an RsmD-like methyltransferase from Mycobacterium tuberculosis and the role of its N-terminal domain in target recognition
J.Biol.Chem., 286, 2011
3WMG
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BU of 3wmg by Molmil
Crystal structure of an inward-facing eukaryotic ABC multidrug transporter G277V/A278V/A279V mutant in complex with an cyclic peptide inhibitor, aCAP
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ATP-binding cassette, sub-family B, ...
Authors:Kodan, A, Yamaguchi, T, Nakatsu, T, Sakiyama, K, Hipolito, C.J, Fujioka, A, Hirokane, R, Ikeguchi, K, Watanabe, B, Hirtake, J, Kimura, Y, Suga, H, Ueda, K, Kato, H.
Deposit date:2013-11-18
Release date:2014-04-30
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for gating mechanisms of a eukaryotic P-glycoprotein homolog.
Proc.Natl.Acad.Sci.USA, 111, 2014
1Q19
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BU of 1q19 by Molmil
Carbapenam Synthetase
Descriptor: (2S,5S)-5-CARBOXYMETHYLPROLINE, CarA, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
Authors:Miller, M.T, Gerratana, B, Stapon, A, Townsend, C.A, Rosenzweig, A.C.
Deposit date:2003-07-18
Release date:2003-11-04
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of Carbapenam Synthetase (CarA)
J.Biol.Chem., 278, 2003
1Q15
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BU of 1q15 by Molmil
Carbapenam Synthetase
Descriptor: CarA
Authors:Miller, M.T, Gerratana, B, Stapon, A, Townsend, C.A, Rosenzweig, A.C.
Deposit date:2003-07-18
Release date:2003-11-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Carbapenam Synthetase (CarA)
J.Biol.Chem., 278, 2003
5C82
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BU of 5c82 by Molmil
Crystal structure of Nourseothricin acetyltransferase
Descriptor: D(-)-TARTARIC ACID, Nourseothricin acetyltransferase
Authors:Kumar, D, Ghosh, A, Taneja, B, Chakraborty, K.
Deposit date:2015-06-25
Release date:2016-06-29
Last modified:2018-07-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of Nourseothricin acetyltransferase
To Be Published
3DLA
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BU of 3dla by Molmil
X-ray crystal structure of glutamine-dependent NAD+ synthetase from Mycobacterium tuberculosis bound to NaAD+ and DON
Descriptor: 5-OXO-L-NORLEUCINE, GLYCEROL, Glutamine-dependent NAD(+) synthetase, ...
Authors:LaRonde-LeBlanc, N.A, Resto, M, Gerratana, B.
Deposit date:2008-06-26
Release date:2009-03-10
Last modified:2019-10-23
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Regulation of active site coupling in glutamine-dependent NAD(+) synthetase.
Nat.Struct.Mol.Biol., 16, 2009
7WIK
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BU of 7wik by Molmil
Crystal structure of oligoribonuclease of Mycobacterium smegmatis mc2 155
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Badhwar, P, Taneja, B.
Deposit date:2022-01-03
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Three-dimensional structure of a mycobacterial oligoribonuclease reveals a unique C-terminal tail that stabilizes the homodimer.
J.Biol.Chem., 298, 2022
2L9Y
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BU of 2l9y by Molmil
Solution structure of the MoCVNH-LysM module from the rice blast fungus Magnaporthe oryzae protein (MGG_03307)
Descriptor: CVNH-LysM lectin
Authors:Koharudin, L.M.I, Viscomi, A.R, Montanini, B, Kershaw, M.J, Talbot, N.J, Ottonello, S, Gronenborn, A.M.
Deposit date:2011-02-26
Release date:2011-03-23
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure-Function Analysis of a CVNH-LysM Lectin Expressed during Plant Infection by the Rice Blast Fungus Magnaporthe oryzae.
Structure, 19, 2011
3SEZ
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BU of 3sez by Molmil
Crystal structure of C176A mutant of glutamine-dependent NAD+ synthetase from M. tuberculosis in complex with ATP and NaAD+
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Glutamine-dependent NAD(+) synthetase, NICOTINIC ACID ADENINE DINUCLEOTIDE
Authors:Chuenchor, W, Gerratana, B.
Deposit date:2011-06-11
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6529 Å)
Cite:Regulation of the intersubunit ammonia tunnel in Mycobacterium tuberculosis glutamine-dependent NAD+ synthetase.
Biochem.J., 443, 2012
3SZG
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BU of 3szg by Molmil
Crystal structure of C176A glutamine-dependent NAD+ synthetase from M. tuberculosis bound to AMP/PPi and NaAD+
Descriptor: ADENOSINE MONOPHOSPHATE, GLYCEROL, Glutamine-dependent NAD(+) synthetase, ...
Authors:Chuenchor, W, Doukov, T, Gerratana, B.
Deposit date:2011-07-19
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Regulation of the intersubunit ammonia tunnel in Mycobacterium tuberculosis glutamine-dependent NAD+ synthetase.
Biochem.J., 443, 2012
3SDB
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BU of 3sdb by Molmil
Crystal structure of C176A mutant of glutamine-dependent NAD+ synthetase from M. tuberculosis in apo form
Descriptor: Glutamine-dependent NAD(+) synthetase
Authors:Chuenchor, W, Gerratana, B.
Deposit date:2011-06-09
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.0017 Å)
Cite:Regulation of the intersubunit ammonia tunnel in Mycobacterium tuberculosis glutamine-dependent NAD+ synthetase.
Biochem.J., 443, 2012
3SEQ
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BU of 3seq by Molmil
Crystal structure of C176A mutant of glutamine-dependent NAD+ synthetase from M. tuberculosis in complex with AMPCPP and NaAD+
Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, GLYCEROL, Glutamine-dependent NAD(+) synthetase, ...
Authors:Chuenchor, W, Gerratana, B.
Deposit date:2011-06-10
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7342 Å)
Cite:Regulation of the intersubunit ammonia tunnel in Mycobacterium tuberculosis glutamine-dependent NAD+ synthetase.
Biochem.J., 443, 2012
3SYT
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BU of 3syt by Molmil
Crystal structure of glutamine-dependent NAD+ synthetase from M. tuberculosis bound to AMP/PPi, NAD+, and glutamate
Descriptor: ADENOSINE MONOPHOSPHATE, GLUTAMIC ACID, GLYCEROL, ...
Authors:Chuenchor, W, Gerratana, B.
Deposit date:2011-07-18
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6511 Å)
Cite:Regulation of the intersubunit ammonia tunnel in Mycobacterium tuberculosis glutamine-dependent NAD+ synthetase.
Biochem.J., 443, 2012
4GFJ
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BU of 4gfj by Molmil
Crystal structure of Topo-78, an N-terminal 78kDa fragment of topoisomerase V
Descriptor: GLYCEROL, Topoisomerase V, ZINC ION
Authors:Rajan, R, Prasad, R, Taneja, B, Wilson, S.H, Mondragon, A.
Deposit date:2012-08-03
Release date:2012-12-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Identification of one of the apurinic/apyrimidinic lyase active sites of topoisomerase V by structural and functional studies.
Nucleic Acids Res., 41, 2013
7CFE
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BU of 7cfe by Molmil
Crystal structure of RsmG methyltransferase of M. tuberculosis
Descriptor: ISOPROPYL ALCOHOL, PHOSPHATE ION, Ribosomal RNA small subunit methyltransferase G, ...
Authors:Bijpuria, S, Maurya, A, Kumar, P, Sharma, R, Taneja, B.
Deposit date:2020-06-25
Release date:2021-06-30
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Crystal structure of RsmG methyltransferase of M. tuberculosis
To Be Published
6M1C
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BU of 6m1c by Molmil
Crystal structure of RsmD methyltransferase of M. tuberculosis in complex with sinefungin reveals key interactions
Descriptor: ACETATE ION, Possible methyltransferase (Methylase), SINEFUNGIN
Authors:Bijpuria, S, Khan, S.H, Kumar, A, Taneja, B.
Deposit date:2020-02-25
Release date:2021-06-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Crystal structure of RsmD methyltransferase of M. tuberculosis in complex with sinefungin reveals key interactions
To Be Published
8FIV
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BU of 8fiv by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun10541R
Descriptor: (3Z)-N-([1,1'-biphenyl]-4-yl)-3-imino-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]propanamide, 3C-like proteinase nsp5
Authors:Sacco, M, Wang, J, Chen, Y.
Deposit date:2022-12-16
Release date:2023-08-09
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Exploring diverse reactive warheads for the design of SARS-CoV-2 main protease inhibitors.
Eur.J.Med.Chem., 259, 2023
8FIW
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BU of 8fiw by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun10221
Descriptor: 3C-like proteinase nsp5, N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide, N-([1,1'-biphenyl]-4-yl)-N-[(1S)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide
Authors:Sacco, M, Wang, J, Chen, Y.
Deposit date:2022-12-16
Release date:2023-08-09
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Exploring diverse reactive warheads for the design of SARS-CoV-2 main protease inhibitors.
Eur.J.Med.Chem., 259, 2023
8IQ0
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BU of 8iq0 by Molmil
Crystal structure of hydrogen sulfide-bound superoxide dismutase in oxidized state
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, COPPER (II) ION, ...
Authors:Zhou, J.H, Huang, W.X, Cheng, R.X, Zhang, P.J, Zhu, Y.C.
Deposit date:2023-03-15
Release date:2023-09-06
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Hydrogen sulfide functions as a micro-modulator bound at the copper active site of Cu/Zn-SOD to regulate the catalytic activity of the enzyme.
Cell Rep, 42, 2023
8IQ1
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BU of 8iq1 by Molmil
Crystal structure of hydrogen sulfide-bound superoxide dismutase in reduced state
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, COPPER (II) ION, ...
Authors:Zhou, J.H, Huang, W.X, Cheng, R.X, Zhang, P.J, Zhu, Y.C.
Deposit date:2023-03-15
Release date:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Hydrogen sulfide functions as a micro-modulator bound at the copper active site of Cu/Zn-SOD to regulate the catalytic activity of the enzyme.
Cell Rep, 42, 2023
7S3V
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BU of 7s3v by Molmil
Structure of HsKYNase_66, an evolved variant of human kynureninase with greatly increased activity towards kynurenine
Descriptor: Kynureninase
Authors:Burkholder, N.T, Zhang, Y.J.
Deposit date:2021-09-08
Release date:2022-12-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.249 Å)
Cite:Bypassing evolutionary dead ends and switching the rate-limiting step of a human immunotherapeutic enzyme.
Nat Catal, 5, 2022
7QNY
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BU of 7qny by Molmil
The receptor binding domain of SARS-CoV-2 spike glycoprotein in complex with COVOX-58 and COVOX-158 Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-158 heavy chain, COVOX-158 light chain, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2021-12-23
Release date:2022-01-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses.
Cell, 185, 2022
7QNW
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BU of 7qnw by Molmil
The receptor binding domain of SARS-CoV-2 Omicron variant spike glycoprotein in complex with Beta-55 and EY6A Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Beta-55 heavy chain, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2021-12-23
Release date:2022-01-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses.
Cell, 185, 2022

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