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3LHP
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BU of 3lhp by Molmil
Crystal structure of HIV epitope-scaffold 4E10_D0_1ISEA_004_N 4E10 Fv complex
Descriptor: 1,2-ETHANEDIOL, 4E10_D0_1ISEA_004_N (T93), Fv 4E10 heavy chain, ...
Authors:Holmes, M.A.
Deposit date:2010-01-22
Release date:2010-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Computational Design of Epitope-Scaffolds Allows Induction of Antibodies Specific for a Poorly Immunogenic HIV Vaccine Epitope.
Structure, 18, 2010
3LH2
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BU of 3lh2 by Molmil
Crystal structure of HIV epitope-scaffold 4E10_1VI7A_S0_002_N 4E10 Fv complex
Descriptor: 4E10_1VI7A_S0_002_N (T88), Fv 4E10 heavy chain, Fv 4E10 light chain
Authors:Holmes, M.A.
Deposit date:2010-01-21
Release date:2010-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Computational Design of Epitope-Scaffolds Allows Induction of Antibodies Specific for a Poorly Immunogenic HIV Vaccine Epitope.
Structure, 18, 2010
3LF9
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BU of 3lf9 by Molmil
Crystal structure of HIV epitope-scaffold 4E10_D0_1IS1A_001_C
Descriptor: 4E10_D0_1IS1A_001_C (T161)
Authors:Holmes, M.A.
Deposit date:2010-01-16
Release date:2010-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Computational Design of Epitope-Scaffolds Allows Induction of Antibodies Specific for a Poorly Immunogenic HIV Vaccine Epitope.
Structure, 18, 2010
8C9T
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BU of 8c9t by Molmil
Catechol O-methyltransferase from Streptomyces avermitilis
Descriptor: GLYCEROL, Putative O-methyltransferase
Authors:Zhang, L, Groves, M.R.
Deposit date:2023-01-23
Release date:2023-04-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Characterization and Extended Substrate Scope Analysis of Two Mg 2+ -Dependent O-Methyltransferases from Bacteria.
Chembiochem, 24, 2023
8C9V
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BU of 8c9v by Molmil
O-methyltransferase from Desulfuromonas acetoxidans
Descriptor: MAGNESIUM ION, O-methyltransferase, family 3
Authors:Zhang, L, Groves, M.R.
Deposit date:2023-01-23
Release date:2023-04-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Characterization and Extended Substrate Scope Analysis of Two Mg 2+ -Dependent O-Methyltransferases from Bacteria.
Chembiochem, 24, 2023
8C9S
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BU of 8c9s by Molmil
Catechol O-methyltransferase from Streptomyces avermitilis in complex with SAH
Descriptor: MAGNESIUM ION, Putative O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Zhang, L, Groves, M.R.
Deposit date:2023-01-23
Release date:2023-04-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Characterization and Extended Substrate Scope Analysis of Two Mg 2+ -Dependent O-Methyltransferases from Bacteria.
Chembiochem, 24, 2023
3PSU
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BU of 3psu by Molmil
HIV-1 protease in complex with an isobutyl decorated oligoamine (symmetric binding mode)
Descriptor: CHLORIDE ION, N,N'-(iminodiethane-2,1-diyl)bis[4-amino-N-(2-methylpropyl)benzenesulfonamide], Protease
Authors:Lindemann, I, Heine, A, Klebe, G.
Deposit date:2010-12-02
Release date:2011-12-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Multiple binding modes of a symmetric inhibitor in HIV-1 protease
To be Published
7TUX
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BU of 7tux by Molmil
Crystal Structure of Plasmodium falciparum Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase in complex with [(3S)-4-Hydroxy-3-[({2-amino-4-hydroxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl}methyl)amino]butyl]phosphonic acid
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, Hypoxanthine-guanine-xanthine phosphoribosyltransferase, ...
Authors:Harijan, R.K, Minnow, Y.V.T, Bonanno, J.B, Almo, S.C, Schramm, V.L.
Deposit date:2022-02-03
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Inhibition and Mechanism of Plasmodium falciparum Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase.
Acs Chem.Biol., 17, 2022
8VEC
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BU of 8vec by Molmil
Deep Mutational Scanning of SARS-CoV-2 PLpro
Descriptor: Papain-like protease nsp3, ZINC ION
Authors:Wu, X, Nguyen, J.V, Call, M.E, Call, M.J.
Deposit date:2023-12-18
Release date:2024-03-20
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mutational profiling of SARS-CoV-2 papain-like protease reveals requirements for function, structure, and drug escape.
Nat Commun, 15, 2024
3OZG
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BU of 3ozg by Molmil
Crystal Structure of Plasmodium falciparum Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase in complex with S-SerMe-ImmH phosphonate
Descriptor: Hypoxanthine-guanine-xanthine phosphoribosyltransferase, MAGNESIUM ION, PYROPHOSPHATE 2-, ...
Authors:Ho, M, Hazleton, K.Z, Almo, S.C, Schramm, V.L.
Deposit date:2010-09-24
Release date:2011-09-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.993 Å)
Cite:Acyclic Immucillin Phosphonates: Second-Generation Inhibitors of Plasmodium falciparum Hypoxanthine- Guanine-Xanthine Phosphoribosyltransferase.
Chem.Biol., 19, 2012
3OZF
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BU of 3ozf by Molmil
Crystal Structure of Plasmodium falciparum Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase in complex with hypoxanthine
Descriptor: HYPOXANTHINE, Hypoxanthine-guanine-xanthine phosphoribosyltransferase, MAGNESIUM ION, ...
Authors:Ho, M, Hazleton, K.Z, Almo, S.C, Schramm, V.L.
Deposit date:2010-09-24
Release date:2011-09-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.944 Å)
Cite:Acyclic Immucillin Phosphonates: Second-Generation Inhibitors of Plasmodium falciparum Hypoxanthine- Guanine-Xanthine Phosphoribosyltransferase.
Chem.Biol., 19, 2012
3LG7
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BU of 3lg7 by Molmil
Crystal structure of HIV epitope-scaffold 4E10_S0_1EZ3A_002_C
Descriptor: 4E10_S0_1EZ3A_002_C (T246), SULFATE ION
Authors:Holmes, M.A.
Deposit date:2010-01-19
Release date:2010-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Computational Design of Epitope-Scaffolds Allows Induction of Antibodies Specific for a Poorly Immunogenic HIV Vaccine Epitope.
Structure, 18, 2010
4PI8
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BU of 4pi8 by Molmil
Crystal structure of catalytic mutant E138A of S. Aureus Autolysin E in complex with disaccharide NAG-NAM
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid, Autolysin E, CHLORIDE ION, ...
Authors:Mihelic, M, Renko, M, Jakas, A, Turk, D.
Deposit date:2014-05-08
Release date:2015-10-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:The mechanism behind the selection of two different cleavage sites in NAG-NAM polymers
Iucrj, 4, 2017
5U0L
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BU of 5u0l by Molmil
X-ray crystal structure of fatty aldehyde dehydrogenase enzymes from Marinobacter aquaeolei VT8 complexed with a substrate
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Shi, K, Mulliner, K, Barney, B.M, Aihara, H.
Deposit date:2016-11-24
Release date:2017-04-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.285 Å)
Cite:Five Fatty Aldehyde Dehydrogenase Enzymes from Marinobacter and Acinetobacter spp. and Structural Insights into the Aldehyde Binding Pocket.
Appl. Environ. Microbiol., 83, 2017
5U0M
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BU of 5u0m by Molmil
Fatty aldehyde dehydrogenase from Marinobacter aquaeolei VT8 and cofactor complex
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, N-succinylglutamate 5-semialdehyde dehydrogenase, ...
Authors:Shi, K, Mulliner, K, Barney, B.M, Aihara, H.
Deposit date:2016-11-24
Release date:2017-04-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.075 Å)
Cite:Five Fatty Aldehyde Dehydrogenase Enzymes from Marinobacter and Acinetobacter spp. and Structural Insights into the Aldehyde Binding Pocket.
Appl. Environ. Microbiol., 83, 2017
1FHF
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BU of 1fhf by Molmil
THE STRUCTURE OF SOYBEAN PEROXIDASE
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Henriksen, A, Mirza, O, Indiana, C, Welinder, K, Teilum, K, Gajhede, M.
Deposit date:2000-08-01
Release date:2001-02-14
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of soybean seed coat peroxidase: a plant peroxidase with unusual stability and haem-apoprotein interactions.
Protein Sci., 10, 2001
4PI7
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BU of 4pi7 by Molmil
Crystal structure of S. Aureus Autolysin E in complex with disaccharide NAM-NAG
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid, Autolysin E, CHLORIDE ION, ...
Authors:Mihelic, M, Renko, M, Jakas, A, Turk, D.
Deposit date:2014-05-08
Release date:2015-10-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The mechanism behind the selection of two different cleavage sites in NAG-NAM polymers
Iucrj, 4, 2017
4PIA
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BU of 4pia by Molmil
Crystal structure of S. Aureus Autolysin E
Descriptor: Autolysin E, CHLORIDE ION
Authors:Mihelic, M, Renko, M, Dobersek, A, Bedrac, L, Turk, D.
Deposit date:2014-05-08
Release date:2015-10-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.466 Å)
Cite:The mechanism behind the selection of two different cleavage sites in NAG-NAM polymers
Iucrj, 4, 2017
4PI9
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BU of 4pi9 by Molmil
Crystal structure of S. Aureus Autolysin E in complex with muropeptide NAM-L-ALA-D-iGLU
Descriptor: (4R)-4-[[(2S)-2-[[(2R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoic acid, Autolysin E, CHLORIDE ION, ...
Authors:Mihelic, M, Renko, M, Turk, D.
Deposit date:2014-05-08
Release date:2015-10-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:The mechanism behind the selection of two different cleavage sites in NAG-NAM polymers.
IUCrJ, 4, 2017
2PRK
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BU of 2prk by Molmil
SYNCHROTRON X-RAY DATA COLLECTION AND RESTRAINED LEAST-SQUARES REFINEMENT OF THE CRYSTAL STRUCTURE OF PROTEINASE K AT 1.5 ANGSTROMS RESOLUTION
Descriptor: CALCIUM ION, PROTEINASE K
Authors:Betzel, C, Pal, G.P, Saenger, W.
Deposit date:1987-11-30
Release date:1988-04-16
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Synchrotron X-ray data collection and restrained least-squares refinement of the crystal structure of proteinase K at 1.5 A resolution.
Acta Crystallogr.,Sect.B, 44, 1988
3U4V
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BU of 3u4v by Molmil
Crystal Structure of the Tetrahymena telomerase processivity factor Teb1 OB-A
Descriptor: Telomerase-associated protein 82
Authors:Zeng, Z, Huang, J, Yang, Y, Lei, M.
Deposit date:2011-10-10
Release date:2011-12-28
Last modified:2012-05-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for Tetrahymena telomerase processivity factor Teb1 binding to single-stranded telomeric-repeat DNA.
Proc.Natl.Acad.Sci.USA, 108, 2011
3U4Z
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BU of 3u4z by Molmil
Crystal Structure of the Tetrahymena telomerase processivity factor Teb1 OB-B
Descriptor: Telomerase-associated protein 82
Authors:Zeng, Z, Huang, J, Yang, Y, Lei, M.
Deposit date:2011-10-10
Release date:2011-12-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for Tetrahymena telomerase processivity factor Teb1 binding to single-stranded telomeric-repeat DNA.
Proc.Natl.Acad.Sci.USA, 108, 2011
8BPT
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BU of 8bpt by Molmil
Crystal structure of the second bromodomain of BRD5 from Leishmania donovani
Descriptor: Bromo domain-containing protein
Authors:Wilkinson, A.J, Dodson, E.J, Jones, N.G, Borgia, J.
Deposit date:2022-11-17
Release date:2023-09-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Bromodomain Factor 5 as a Target for Antileishmanial Drug Discovery.
Acs Infect Dis., 9, 2023
1E33
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BU of 1e33 by Molmil
Crystal structure of an Arylsulfatase A mutant P426L
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Arylsulfatase A, MAGNESIUM ION
Authors:von Buelow, R, Schmidt, B, Dierks, T, von Figura, K, Uson, I.
Deposit date:2000-06-06
Release date:2001-05-25
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Defective oligomerization of arylsulfatase a as a cause of its instability in lysosomes and metachromatic leukodystrophy.
J. Biol. Chem., 277, 2002
7SZQ
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BU of 7szq by Molmil
Human P300 complexed with an azaindazole inhibitor
Descriptor: 1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-1H-pyrazolo[4,3-b]pyridin-5-yl-D-prolinamide, Histone acetyltransferase p300
Authors:Shewchuk, L.M, Reid, R.A.
Deposit date:2021-11-29
Release date:2022-11-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of Proline-Based p300/CBP Inhibitors Using DNA-Encoded Library Technology in Combination with High-Throughput Screening.
J.Med.Chem., 65, 2022

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数据于2024-09-04公开中

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