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1WBK
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HIV-1 protease in complex with asymmetric inhibitor, BEA568
分子名称: N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL], POL PROTEIN (FRAGMENT)
著者Lindberg, J, Unge, T.
登録日2004-11-02
公開日2004-11-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献HIV-1 Protease in Complex with Asymmetric Inhibitor, Bea568
To be Published
4AV4
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BU of 4av4 by Molmil
FimH lectin domain co-crystal with a alpha-D-mannoside O-linked to a propynyl pyridine
分子名称: 3-(pyridin-3-yl)prop-2-yn-1-yl alpha-D-mannopyranoside, FIMH
著者Bouckaert, J, Touaibia, M, Roos, G, Shiao, T.C, Wang, Q, Papadopoulos, A, Roy, R.
登録日2012-05-23
公開日2012-06-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Tyrosine Gate as a Potential Entropic Lever in the Receptor-Binding Site of the Bacterial Adhesin Fimh.
Biochemistry, 51, 2012
4OGY
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BU of 4ogy by Molmil
Crystal structure of Fab DX-2930 in complex with human plasma kallikrein at 2.1 Angstrom resolution
分子名称: 1,2-ETHANEDIOL, DX-2930 HEAVY CHAIN, DX-2930 LIGHT CHAIN, ...
著者Edwards, T.E, Clifton, M.C, Abendroth, J, Nixon, A, Ladner, R.
登録日2014-01-16
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Inhibition of plasma kallikrein by a highly specific active site blocking antibody.
J.Biol.Chem., 289, 2014
4CL9
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N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH I-BET295
分子名称: 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 4, propan-2-yl N-[(2S,4R)-1-ethanoyl-2-methyl-6-[4-[[8-(oxidanylamino)-8-oxidanylidene-octanoyl]amino]phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate
著者Chung, C, Atkinson, S.
登録日2014-01-13
公開日2014-12-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The Structure Based Design of Dual Hdac/Bet Inhibitors as Novel Epigenetic Probes.
Medchemcomm, 5, 2014
4CLB
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BU of 4clb by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH IBET-295
分子名称: 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 4, propan-2-yl N-[(2S,4R)-1-ethanoyl-2-methyl-6-[4-(methylaminomethyl)phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate
著者Chung, C, Atkinson, S.
登録日2014-01-13
公開日2014-12-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Structure Based Design of Dual Hdac/Bet Inhibitors as Novel Epigenetic Probes.
Medchemcomm, 5, 2014
2GX6
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BU of 2gx6 by Molmil
Rational stabilization of E. coli ribose binding protein
分子名称: D-ribose-binding periplasmic protein, beta-D-ribopyranose
著者Cuneo, M.J, Hellinga, H.W.
登録日2006-05-08
公開日2007-03-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Rational stabilization of E. coli ribose binding protein
To be Published
1GFW
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BU of 1gfw by Molmil
THE 2.8 ANGSTROM CRYSTAL STRUCTURE OF CASPASE-3 (APOPAIN OR CPP32)IN COMPLEX WITH AN ISATIN SULFONAMIDE INHIBITOR.
分子名称: 1-METHYL-5-(2-PHENOXYMETHYL-PYRROLIDINE-1-SULFONYL)-1H-INDOLE-2,3-DIONE, CASPASE-3 (APOPAIN, P10), ...
著者Concha, N.O, Janson, C.A.
登録日2000-06-16
公開日2000-06-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Potent and selective nonpeptide inhibitors of caspases 3 and 7 inhibit apoptosis and maintain cell functionality.
J.Biol.Chem., 275, 2000
4RE9
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BU of 4re9 by Molmil
Crystal structure of human insulin degrading enzyme (IDE) in complex with compound 71290
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-fluoro-N-({1-[(2R)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1H-1,2,3-triazol-5-yl}methyl)benzamide, ...
著者Liang, W.G, Deprez, R, Deprez, B, Tang, W.J.
登録日2014-09-22
公開日2015-09-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.908 Å)
主引用文献Catalytic site inhibition of insulin-degrading enzyme by a small molecule induces glucose intolerance in mice.
Nat Commun, 6, 2015
2M8O
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BU of 2m8o by Molmil
NMR assignment and structure of a peptide derived from the membrane proximal external region of HIV-1 gp41 in DPC
分子名称: Transmembrane protein gp41
著者Serrano, S, Huarte, N, Nieva, J.L, Jimenez, M.
登録日2013-05-23
公開日2014-01-22
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure and Immunogenicity of a Peptide Vaccine, Including the Complete HIV-1 gp41 2F5 Epitope: IMPLICATIONS FOR ANTIBODY RECOGNITION MECHANISM AND IMMUNOGEN DESIGN.
J.Biol.Chem., 289, 2014
2J5Y
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BU of 2j5y by Molmil
Crystal structure of the GA module from F.magna
分子名称: PEPTOSTREPTOCOCCAL ALBUMIN-BINDING PROTEIN
著者Lejon, S, Cramer, J.F, Nordberg, P.A, Lundqvist, T, Valegard, K.
登録日2006-09-20
公開日2007-06-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal Structure of a Bacterial Albumin-Binding Domain at 1.4A Resolution.
FEBS Lett., 581, 2007
2F6L
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BU of 2f6l by Molmil
X-ray structure of Chorismate Mutase from Mycobacterium Tuberculosis
分子名称: Chorismate mutase
著者Kim, S.K, Howard, A.J, Gilliland, G.L, Reddy, P.T, Ladner, J.E.
登録日2005-11-29
公開日2005-12-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Biochemical and structural characterization of the secreted chorismate mutase (Rv1885c) from Mycobacterium tuberculosis H37Rv: an *AroQ enzyme not regulated by the aromatic amino acids.
J.Bacteriol., 188, 2006
2M8M
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BU of 2m8m by Molmil
NMR assignment and structure of a peptide derived from the membrane proximal external region of HIV-1 gp41 in the presence of hexafluoroisopropanol
分子名称: Transmembrane protein gp41
著者Serrano, S, Huarte, N, Nieva, J.L, Jimenez, M.
登録日2013-05-23
公開日2014-01-22
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure and Immunogenicity of a Peptide Vaccine, Including the Complete HIV-1 gp41 2F5 Epitope: IMPLICATIONS FOR ANTIBODY RECOGNITION MECHANISM AND IMMUNOGEN DESIGN.
J.Biol.Chem., 289, 2014
1EAS
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BU of 1eas by Molmil
NONPEPTIDIC INHIBITORS OF HUMAN LEUKOCYTE ELASTASE. 3. DESIGN, SYNTHESIS, X-RAY CRYSTALLOGRAPHIC ANALYSIS, AND STRUCTURE-ACTIVITY RELATIONSHIPS FOR A SERIES OF ORALLY ACTIVE 3-AMINO-6-PHENYLPYRIDIN-2-ONE TRIFLUOROMETHYL KETONES
分子名称: 3-[[(METHYLAMINO)SULFONYL]AMINO]-2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO-1-(1-METHYLETHYL)-2-OXOPHENYL]-1(2H)-PYRIDINE ACETAMIDE, PORCINE PANCREATIC ELASTASE, SODIUM ION, ...
著者Ceccarelli, C.
登録日1994-11-22
公開日1995-02-07
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Nonpeptidic inhibitors of human leukocyte elastase. 3. Design, synthesis, X-ray crystallographic analysis, and structure-activity relationships for a series of orally active 3-amino-6-phenylpyridin-2-one trifluoromethyl ketones.
J.Med.Chem., 37, 1994
2KP8
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BU of 2kp8 by Molmil
Ligand bound to a model peptide that mimics the open fusogenic form
分子名称: 5-{[(4'-methoxybiphenyl-4-yl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid, Model peptide
著者Olejniczak, E.T.
登録日2009-10-09
公開日2010-01-19
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Non-peptide entry inhibitors of HIV-1 that target the gp41 coiled coil pocket.
Bioorg.Med.Chem.Lett., 20, 2010
2KW8
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BU of 2kw8 by Molmil
Solution Structure of Bacillus anthracis Sortase A (SrtA) Transpeptidase
分子名称: LPXTG-site transpeptidase family protein
著者Weiner, E.M, Robson, S.A, Marohn, M, Clubb, R.T.
登録日2010-03-31
公開日2010-05-26
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献The Sortase A enzyme that attaches proteins to the cell wall of Bacillus anthracis contains an unusual active site architecture.
J.Biol.Chem., 285, 2010
2QWS
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BU of 2qws by Molmil
Neutron and X-ray structural studies of short hydrogen bonds in Photoactive Yellow Protein (PYP)
分子名称: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
著者Fisher, S.Z, Langan, P.
登録日2007-08-10
公開日2008-03-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Neutron and X-ray structural studies of short hydrogen bonds in photoactive yellow protein (PYP)
Acta Crystallogr.,Sect.D, 63, 2007
5UGH
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BU of 5ugh by Molmil
Crystal structure of Mat2a bound to the allosteric inhibitor PF-02929366
分子名称: 2-(7-chloro-5-phenyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)-N,N-dimethylethan-1-amine, S-adenosylmethionine synthase isoform type-2
著者Kaiser, S.E, Feng, J, Stewart, A.E.
登録日2017-01-08
公開日2017-05-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.062 Å)
主引用文献Targeting S-adenosylmethionine biosynthesis with a novel allosteric inhibitor of Mat2A.
Nat. Chem. Biol., 13, 2017
2BS5
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BU of 2bs5 by Molmil
LECTIN FROM RALSTONIA SOLANACEARUM COMPLEXED WITH 2-FUCOSYLLACTOSE
分子名称: CHLORIDE ION, FUCOSE-BINDING LECTIN PROTEIN, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Mitchell, E.P, Kostlanova, N, Wimmerova, M, Imberty, A.
登録日2005-05-18
公開日2005-05-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Fucose-Binding Lectin from Ralstonia Solanacearum: A New Type of {Beta}-Propeller Architecture Formed by Oligomerization and Interacting with Fucoside, Fucosyllactose, and Plant Xyloglucan.
J.Biol.Chem., 280, 2005
2BT9
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Lectin from Ralstonia solanacearum complexed with Me-fucoside
分子名称: LECTIN, methyl alpha-L-fucopyranoside
著者Mitchell, E.P, Kostlanova, N, Wimmerova, M, Imberty, A.
登録日2005-05-27
公開日2005-06-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (0.94 Å)
主引用文献The fucose-binding lectin from Ralstonia solanacearum. A new type of beta-propeller architecture formed by oligomerization and interacting with fucoside, fucosyllactose, and plant xyloglucan.
J. Biol. Chem., 280, 2005
2BS6
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LECTIN FROM RALSTONIA SOLANACEARUM COMPLEXED WITH XYLOGLUCAN FRAGMENT
分子名称: GLYCEROL, LECTIN, alpha-L-fucopyranose, ...
著者Mitchell, E.P, Kostlanova, N, Wimmerova, M, Imberty, A.
登録日2005-05-18
公開日2005-05-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The fucose-binding lectin from Ralstonia solanacearum. A new type of beta-propeller architecture formed by oligomerization and interacting with fucoside, fucosyllactose, and plant xyloglucan.
J. Biol. Chem., 280, 2005
2VCO
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BU of 2vco by Molmil
Crystal structure of the fimbrial adhesin FimH in complex with its high-mannose epitope
分子名称: NICKEL (II) ION, PROTEIN FIMH, SULFATE ION, ...
著者Wellens, A, Garofalo, C, Nguyen, H, Wyns, L, De Greve, H, Hultgren, S.J, Bouckaert, J.
登録日2007-09-26
公開日2008-05-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Intervening with Urinary Tract Infections Using Anti-Adhesives Based on the Crystal Structure of the Fimh-Oligomannose-3 Complex.
Plos One, 3, 2008
3ZIX
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BU of 3zix by Molmil
Clostridium perfringens Enterotoxin with the N-terminal 37 residues deleted
分子名称: HEAT-LABILE ENTEROTOXIN B CHAIN, HEXAETHYLENE GLYCOL
著者Yelland, T, Naylor, C.E, Savva, C.G, Basak, A.K.
登録日2013-01-14
公開日2014-01-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of a C. Perfringens Enterotoxin Mutant in Complex with a Modified Claudin-2 Extracellular Loop 2
J.Mol.Biol., 426, 2014
1M8T
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Structure of an acidic Phospholipase A2 from the venom of Ophiophagus hannah at 2.1 resolution from a hemihedrally twinned crystal form
分子名称: CALCIUM ION, HEXANE-1,6-DIOL, Phospholipase a2
著者Xu, S, Gu, L, Wang, Q, Shu, Y, Lin, Z.
登録日2002-07-26
公開日2003-09-02
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of a king cobra phospholipase A2 determined from a hemihedrally twinned crystal.
Acta Crystallogr.,Sect.D, 59, 2003
4OHU
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BU of 4ohu by Molmil
Crystal structure of Mycobacterium tuberculosis InhA in complex with inhibitor PT92
分子名称: 2-(2-bromophenoxy)-5-hexylphenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Li, H.J, Pan, P, Lai, C.T, Liu, N, Yu, W, Garcia-Diaz, M, Simmerling, C, Tonge, P.J.
登録日2014-01-18
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.598 Å)
主引用文献A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA.
Acs Chem.Biol., 9, 2014
4P5H
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Structure of Clostridium perfringens Enterotoxin with a peptide derived from a modified version of ECL-2 of Claudin 2
分子名称: Claudin-2, Heat-labile enterotoxin B chain
著者Naylor, C.E, Yelland, T.S, Basak, A.K.
登録日2014-03-17
公開日2014-07-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.38 Å)
主引用文献Structure of a C. perfringens Enterotoxin Mutant in Complex with a Modified Claudin-2 Extracellular Loop 2.
J.Mol.Biol., 426, 2014

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