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7OEN
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BU of 7oen by Molmil
Hepatitis B core protein mutant P5T with bound GSLLGRMKGA
Descriptor: Capsid protein, GSLLGRMKGA
Authors:Bottcher, B, Makbul, C.
Deposit date:2021-05-03
Release date:2021-05-19
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Conformational Plasticity of Hepatitis B Core Protein Spikes Promotes Peptide Binding Independent of the Secretion Phenotype.
Microorganisms, 9, 2021
7OD8
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BU of 7od8 by Molmil
Hepatitis B core Protein mutant L60V + GSLLGRMKGA
Descriptor: Capsid protein, peptide GSLLGRMKGA
Authors:Bottcher, B, Makbul, C.
Deposit date:2021-04-28
Release date:2021-05-26
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Conformational Plasticity of Hepatitis B Core Protein Spikes Promotes Peptide Binding Independent of the Secretion Phenotype.
Microorganisms, 9, 2021
7OCW
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BU of 7ocw by Molmil
Hepatitis B core protein -low secretion phenotype P5T
Descriptor: Capsid protein
Authors:Bottcher, B, Makbul, C.
Deposit date:2021-04-28
Release date:2021-05-26
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Conformational Plasticity of Hepatitis B Core Protein Spikes Promotes Peptide Binding Independent of the Secretion Phenotype.
Microorganisms, 9, 2021
7OD6
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BU of 7od6 by Molmil
Hepatitis B core protein + GSLLGRMKGA
Descriptor: Capsid protein, Inhibitory Peptide P2 (GSLLGRMKGA)
Authors:Bottcher, B, Makbul, C.
Deposit date:2021-04-28
Release date:2021-05-26
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Conformational Plasticity of Hepatitis B Core Protein Spikes Promotes Peptide Binding Independent of the Secretion Phenotype.
Microorganisms, 9, 2021
7OD7
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BU of 7od7 by Molmil
Hepatitis B core protein + SLLGRM
Descriptor: Capsid protein, SLLRGM
Authors:Bottcher, B, Makbul, C.
Deposit date:2021-04-28
Release date:2021-05-26
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Conformational Plasticity of Hepatitis B Core Protein Spikes Promotes Peptide Binding Independent of the Secretion Phenotype.
Microorganisms, 9, 2021
7OEV
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BU of 7oev by Molmil
Hepatitis B core protein mutant F97L with bound GSLLGRMKGA
Descriptor: Capsid protein, GSLLGRMKGA
Authors:Makbul, C, Bottcher, B.
Deposit date:2021-05-04
Release date:2021-05-19
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Conformational Plasticity of Hepatitis B Core Protein Spikes Promotes Peptide Binding Independent of the Secretion Phenotype.
Microorganisms, 9, 2021
1ELB
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BU of 1elb by Molmil
Analogous inhibitors of elastase do not always bind analogously
Descriptor: 6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(1-methylethyl)phenyl]-L-leucinamide, CALCIUM ION, ELASTASE, ...
Authors:Mattos, C, Rasmussen, B, Ding, X, Petsko, G.A, Ringe, D.
Deposit date:1993-12-07
Release date:1994-06-22
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Analogous inhibitors of elastase do not always bind analogously.
Nat.Struct.Biol., 1, 1994
3GRT
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BU of 3grt by Molmil
HUMAN GLUTATHIONE REDUCTASE A34E, R37W MUTANT, OXIDIZED TRYPANOTHIONE COMPLEX
Descriptor: 2-AMINO-4-[4-(4-AMINO-4-CARBOXY-BUTYRYLAMINO)-5,8,19,22-TETRAOXO-1,2-DITHIA-6,9,13,18,21-PENTAAZA-CYCLOTETRACOS-23-YLCARBAMOYL]-BUTYRIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE
Authors:Stoll, V.S, Simpson, S.J, Krauth-Siegel, R.L, Walsh, C.T, Pai, E.F.
Deposit date:1997-02-12
Release date:1997-08-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Glutathione reductase turned into trypanothione reductase: structural analysis of an engineered change in substrate specificity.
Biochemistry, 36, 1997
3IBX
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BU of 3ibx by Molmil
Crystal structure of F47Y variant of TenA (HP1287) from Helicobacter pylori
Descriptor: Putative thiaminase II
Authors:Barison, N, Cendron, L, Trento, A, Angelini, A, Zanotti, G.
Deposit date:2009-07-17
Release date:2009-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and mutational analysis of TenA protein (HP1287) from the Helicobacter pylori thiamin salvage pathway - evidence of a different substrate specificity.
Febs J., 276, 2009
2V3J
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BU of 2v3j by Molmil
The yeast ribosome synthesis factor Emg1 alpha beta knot fold methyltransferase
Descriptor: ESSENTIAL FOR MITOTIC GROWTH 1, SULFATE ION
Authors:Leulliot, N, Bohnsack, M.T, Graille, M, Tollervey, D, Van Tilbeurgh, H.
Deposit date:2007-06-18
Release date:2007-12-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Yeast Ribosome Synthesis Factor Emg1 is a Novel Member of the Superfamily of Alpha/Beta Knot Fold Methyltransferases.
Nucleic Acids Res., 36, 2008
1GC3
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BU of 1gc3 by Molmil
THERMUS THERMOPHILUS ASPARTATE AMINOTRANSFERASE TETRA MUTANT 2 COMPLEXED WITH TRYPTOPHAN
Descriptor: ASPARTATE AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE, TRYPTOPHAN
Authors:Ura, H, Nakai, T, Hirotsu, K, Kuramitsu, S.
Deposit date:2000-07-18
Release date:2001-09-05
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Substrate recognition mechanism of thermophilic dual-substrate enzyme.
J.Biochem., 130, 2001
1GC4
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BU of 1gc4 by Molmil
THERMUS THERMOPHILUS ASPARTATE AMINOTRANSFERASE TETRA MUTANT 2 COMPLEXED WITH ASPARTATE
Descriptor: ASPARTATE AMINOTRANSFERASE, ASPARTIC ACID, PYRIDOXAL-5'-PHOSPHATE
Authors:Ura, H, Nakai, T, Hirotsu, K, Kuramitsu, S.
Deposit date:2000-07-19
Release date:2001-09-05
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Substrate recognition mechanism of thermophilic dual-substrate enzyme.
J.Biochem., 130, 2001
2V3K
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BU of 2v3k by Molmil
The yeast ribosome synthesis factor Emg1 alpha beta knot fold methyltransferase
Descriptor: ESSENTIAL FOR MITOTIC GROWTH 1, S-ADENOSYLMETHIONINE, SULFATE ION
Authors:Leulliot, N, Bohnsack, M.T, Graille, M, Tollervey, D, VanTilbeurgh, H.
Deposit date:2007-06-18
Release date:2007-07-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Yeast Ribosome Synthesis Factor Emg1 is a Novel Member of the Superfamily of Alpha/Beta Knot Fold Methyltransferases.
Nucleic Acids Res., 36, 2008
1GCK
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BU of 1gck by Molmil
THERMUS THERMOPHILUS ASPARTATE AMINOTRANSFERASE DOUBLE MUTANT 1 COMPLEXED WITH ASPARTATE
Descriptor: ASPARTATE AMINOTRANSFERASE, ASPARTIC ACID, PYRIDOXAL-5'-PHOSPHATE
Authors:Ura, H, Nakai, T, Hirotsu, K, Kuramitsu, S.
Deposit date:2000-08-04
Release date:2001-11-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Substrate recognition mechanism of thermophilic dual-substrate enzyme.
J.Biochem., 130, 2001
1X29
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BU of 1x29 by Molmil
Crystal Structure of e.coli AspAT complexed with N-phosphopyridoxyl-2-methyl-L-glutamic acid
Descriptor: Aspartate aminotransferase, N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-2-METHYL-L-GLUTAMIC ACID
Authors:Goto, M.
Deposit date:2005-04-21
Release date:2005-06-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Binding of C5-dicarboxylic substrate to aspartate aminotransferase: implications for the conformational change at the transaldimination step.
Biochemistry, 44, 2005
2BL1
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BU of 2bl1 by Molmil
Crystal structure of a putative phosphinothricin Acetyltransferase (PA4866) from Pseudomonas aeruginosa PAC1
Descriptor: AZIDE ION, GLYCEROL, PUTATIVE PHOSPHINOTHRICIN N-ACETYLTRANSFERASE PA4866, ...
Authors:Davies, A.M, Tata, R, Agha, R, Sutton, B.J, Brown, P.R.
Deposit date:2005-02-24
Release date:2005-09-21
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of a Putative Phosphinothricin Acetyltransferase (Pa4866) from Pseudomonas Aeruginosa Pac1
Proteins: Struct., Funct., Bioinf., 61, 2005
3CWX
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BU of 3cwx by Molmil
Crystal structure of cagd from helicobacter pylori pathogenicity island
Descriptor: protein CagD
Authors:Cendron, L, Zanotti, G, Angelini, A, Barison, N, Couturier, M, Stein, M.
Deposit date:2008-04-23
Release date:2008-12-30
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Helicobacter pylori CagD (HP0545, Cag24) protein is essential for CagA translocation and maximal induction of interleukin-8 secretion.
J.Mol.Biol., 386, 2009
3B83
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BU of 3b83 by Molmil
Computer-Based Redesign of a beta Sandwich Protein Suggests that Extensive Negative Design Is Not Required for De Novo beta Sheet Design.
Descriptor: TEN-D3
Authors:Hu, X, Ke, H, Kuhlman, B.
Deposit date:2007-10-31
Release date:2008-11-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Computer-Based Redesign of a beta Sandwich Protein Suggests that Extensive Negative Design Is Not Required for De Novo beta Sheet Design.
Structure, 16, 2008
1LTR
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BU of 1ltr by Molmil
CRYSTAL STRUCTURE OF THE B SUBUNIT OF HUMAN HEAT-LABILE ENTEROTOXIN FROM E. COLI CARRYING A PEPTIDE WITH ANTI-HSV ACTIVITY
Descriptor: HEAT-LABILE ENTEROTOXIN, SULFATE ION
Authors:Matkovic-Calogovic, D, Loreggian, A, Palu, G, Zanotti, G.
Deposit date:1998-07-31
Release date:1999-02-09
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Crystal structure of the B subunit of Escherichia coli heat-labile enterotoxin carrying peptides with anti-herpes simplex virus type 1 activity.
J.Biol.Chem., 274, 1999
2ORA
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BU of 2ora by Molmil
RHODANESE (THIOSULFATE: CYANIDE SULFURTRANSFERASE)
Descriptor: OXIDIZED RHODANESE
Authors:Gliubich, F, Gazerro, M, Zanotti, G, Delbono, S, Berni, R.
Deposit date:1996-02-22
Release date:1996-08-01
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Active site structural features for chemically modified forms of rhodanese.
J.Biol.Chem., 271, 1996
3DTG
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BU of 3dtg by Molmil
Structural analysis of mycobacterial branched chain aminotransferase- implications for inhibitor design
Descriptor: Branched-chain amino acid aminotransferase, GLYCEROL, O-benzylhydroxylamine, ...
Authors:Castell, A, Unge, T.
Deposit date:2008-07-15
Release date:2009-06-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of mycobacterial branched chain aminotransferase - implications for inhibitor design
To be Published
6P6Q
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BU of 6p6q by Molmil
HCV NS3/4A protease domain of genotype 1a3a chimera in complex with grazoprevir
Descriptor: (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-di oxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadec ino[11,12-b]quinoxaline-8-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Non-structural protein 4A,Serine protease NS3, ...
Authors:Timm, J, Schiffer, C.A.
Deposit date:2019-06-04
Release date:2020-06-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Molecular mechanism of pan-genotypic HCV NS3/4A protease inhibition by glecaprevir and characterization of genotype-specific structural differences
To Be Published
6P6Z
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BU of 6p6z by Molmil
HCV NS3/4A protease domain of genotype 4a with an extended linker in complex with glecaprevir
Descriptor: (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide, Non-structural protein 4A,Serine protease NS3, ...
Authors:Timm, J, Schiffer, C.A.
Deposit date:2019-06-04
Release date:2020-06-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.294 Å)
Cite:Molecular mechanism of pan-genotypic HCV NS3/4A protease inhibition by glecaprevir and characterization of genotype-specific structural differences
To Be Published
1ORB
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BU of 1orb by Molmil
ACTIVE SITE STRUCTURAL FEATURES FOR CHEMICALLY MODIFIED FORMS OF RHODANESE
Descriptor: ACETATE ION, CARBOXYMETHYLATED RHODANESE
Authors:Gliubich, F, Gazerro, M, Zanotti, G, Delbono, S, Berni, R.
Deposit date:1995-07-24
Release date:1995-10-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Active site structural features for chemically modified forms of rhodanese.
J.Biol.Chem., 271, 1996
6P6S
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BU of 6p6s by Molmil
HCV NS3/4A protease domain of genotype 3a in complex with glecaprevir
Descriptor: (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide, 1,2-ETHANEDIOL, ...
Authors:Timm, J, Schiffer, C.A.
Deposit date:2019-06-04
Release date:2020-06-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular mechanism of pan-genotypic HCV NS3/4A protease inhibition by glecaprevir and characterization of genotype-specific structural differences
To Be Published

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