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4N71
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BU of 4n71 by Molmil
X-Ray Crystal Structure of 2-amino-1-hydroxyethylphosphonate-bound PhnZ
分子名称: FE (III) ION, Predicted HD phosphohydrolase PhnZ, [(1R)-2-amino-1-hydroxyethyl]phosphonic acid
著者Woersdoerfer, B, Lingaraju, M, Yennawar, N, Boal, A.K, Krebs, C, Bollinger Jr, J.M, Pandelia, M.-E.
登録日2013-10-14
公開日2013-11-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.984 Å)
主引用文献Organophosphonate-degrading PhnZ reveals an emerging family of HD domain mixed-valent diiron oxygenases.
Proc.Natl.Acad.Sci.USA, 110, 2013
2XU4
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CATHEPSIN L WITH A NITRILE INHIBITOR
分子名称: (2S,4R)-4-(2-chlorophenyl)sulfonyl-1-[1-(4-fluorophenyl)cyclopropyl]carbonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide, CATHEPSIN L1, GLYCEROL
著者Banner, D.W, Benz, J.M, Haap, W.
登録日2010-10-14
公開日2011-01-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Systematic Investigation of Halogen Bonding in Protein-Ligand Interactions.
Angew.Chem.Int.Ed.Engl., 50, 2011
2XU5
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CATHEPSIN L WITH A NITRILE INHIBITOR
分子名称: (2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-(4-methylphenyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide, CATHEPSIN L1, CITRATE ANION, ...
著者Banner, D.W, Benz, J.M, Haap, W.
登録日2010-10-14
公開日2011-01-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Systematic Investigation of Halogen Bonding in Protein-Ligand Interactions.
Angew.Chem.Int.Ed.Engl., 50, 2011
7L0B
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BU of 7l0b by Molmil
Crystal structure of hydroxyacyl glutathione hydrolase (GloB) from Staphylococcus aureus, apoenzyme
分子名称: Hydroxyacylglutathione hydrolase, SULFATE ION, ZINC ION
著者Miller, J.J, Jez, J.M, Odom John, A.R.
登録日2020-12-11
公開日2020-12-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-guided microbial targeting of antistaphylococcal prodrugs.
Elife, 10, 2021
2BHC
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Na substituted E. coli Aminopeptidase P
分子名称: CITRATE ANION, MAGNESIUM ION, SODIUM ION, ...
著者Graham, S.C, Bond, C.S, Freeman, H.C, Guss, J.M.
登録日2005-01-10
公開日2005-09-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and Functional Implications of Metal Ion Selection in Aminopeptidase P, a Metalloprotease with a Dinuclear Metal Center.
Biochemistry, 44, 2005
7L0A
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Crystal structure of s-formylglutathione hydrolase (FrmB) from Staphylococcus aureus, apoenzyme
分子名称: Esterase family protein, MAGNESIUM ION
著者Miller, J.J, Jez, J.M, Odom John, A.R.
登録日2020-12-11
公開日2020-12-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-guided microbial targeting of antistaphylococcal prodrugs.
Elife, 10, 2021
1BTL
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BU of 1btl by Molmil
CRYSTAL STRUCTURE OF ESCHERICHIA COLI TEM1 BETA-LACTAMASE AT 1.8 ANGSTROMS RESOLUTION
分子名称: BETA-LACTAMASE TEM1, SULFATE ION
著者Jelsch, C, Mourey, L, Masson, J.M, Samama, J.P.
登録日1993-11-01
公開日1995-01-26
最終更新日2019-08-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of Escherichia coli TEM1 beta-lactamase at 1.8 A resolution.
Proteins, 16, 1993
2BNU
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BU of 2bnu by Molmil
Structural and kinetic basis for heightened immunogenicity of T cell vaccines
分子名称: T-CELL RECEPTOR ALPHA CHAIN C REGION, T-CELL RECEPTOR BETA CHAIN C REGION
著者Chen, J.-L, Stewart-Jones, G, Bossi, G, Lissin, N.M, Wooldridge, L, Choi, E.M.L, Held, G, Dunbar, P.R, Esnouf, R.M, Sami, M, Boultier, J.M, Rizkallah, P.J, Renner, C, Sewell, A, Van Der Merwe, P.A, Jackobsen, B.K, Griffiths, G, Jones, E.Y, Cerundolo, V.
登録日2005-04-04
公開日2005-05-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural and Kinetic Basis for Heightened Immunogenicity of T Cell Vaccines.
J.Exp.Med., 201, 2005
2CHY
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BU of 2chy by Molmil
THREE-DIMENSIONAL STRUCTURE OF CHEY, THE RESPONSE REGULATOR OF BACTERIAL CHEMOTAXIS
分子名称: CHEY
著者Mottonen, J.M, Stock, A.M, Stock, J.B, Schutt, C.E.
登録日1990-05-17
公開日1990-07-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Three-dimensional structure of CheY, the response regulator of bacterial chemotaxis.
Nature, 337, 1989
1APM
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BU of 1apm by Molmil
2.0 ANGSTROM REFINED CRYSTAL STRUCTURE OF THE CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE COMPLEXED WITH A PEPTIDE INHIBITOR AND DETERGENT
分子名称: N-OCTANE, PEPTIDE INHIBITOR PKI(5-24), cAMP-DEPENDENT PROTEIN KINASE
著者Knighton, D.R, Bell, S.M, Zheng, J, Teneyck, L.F, Xuong, N.-H, Taylor, S.S, Sowadski, J.M.
登録日1993-01-18
公開日1993-04-15
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献2.0 A refined crystal structure of the catalytic subunit of cAMP-dependent protein kinase complexed with a peptide inhibitor and detergent.
Acta Crystallogr.,Sect.D, 49, 1993
3IZG
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BU of 3izg by Molmil
Bacteriophage T7 prohead shell EM-derived atomic model
分子名称: Major capsid protein 10A
著者Ionel, A, Velazquez-Muriel, J.A, Agirrezabala, X, Luque, D, Cuervo, A, Caston, J.R, Valpuesta, J.M, Martin-Benito, J, Carrascosa, J.L.
登録日2010-10-27
公開日2010-11-17
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (10.9 Å)
主引用文献Molecular rearrangements involved in the capsid shell maturation of bacteriophage T7.
J.Biol.Chem., 286, 2011
1A3E
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COMPLEX OF HUMAN ALPHA-THROMBIN WITH THE BIFUNCTIONAL BORONATE INHIBITOR BOROLOG2
分子名称: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), BOROLOG2, ...
著者Skordalakes, E, Elgendy, S, Goodwin, C.A, Green, D, Scullly, M.F, Kakkar, V.V, Freyssinet, J.M, Dodson, G, Deadman, J.
登録日1998-01-21
公開日1998-06-03
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Bifunctional peptide boronate inhibitors of thrombin: crystallographic analysis of inhibition enhanced by linkage to an exosite 1 binding peptide.
Biochemistry, 37, 1998
1ABN
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BU of 1abn by Molmil
THE CRYSTAL STRUCTURE OF THE ALDOSE REDUCTASE NADPH BINARY COMPLEX
分子名称: ALDOSE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Borhani, D.W, Harter, T.M, Petrash, J.M.
登録日1992-09-03
公開日1994-01-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The crystal structure of the aldose reductase.NADPH binary complex.
J.Biol.Chem., 267, 1992
2CPK
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BU of 2cpk by Molmil
CRYSTAL STRUCTURE OF THE CATALYTIC SUBUNIT OF CYCLIC ADENOSINE MONOPHOSPHATE-DEPENDENT PROTEIN KINASE
分子名称: PEPTIDE INHIBITOR 20-MER, cAMP-DEPENDENT PROTEIN KINASE, CATALYTIC SUBUNIT
著者Knighton, D.R, Zheng, J, Teneyck, L.F, Ashford, V.A, Xuong, N.-H, Taylor, S.S, Sowadski, J.M.
登録日1992-10-21
公開日1993-01-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of the catalytic subunit of cyclic adenosine monophosphate-dependent protein kinase.
Science, 253, 1991
2BDZ
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Mexicain from Jacaratia mexicana
分子名称: Mexicain, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE
著者Gavira, J.A, Oliver-Salvador, M.C, Gonzalez-Ramirez, L.A, Soriano-Garcia, M, Garcia-Ruiz, J.M.
登録日2005-10-21
公開日2006-10-03
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystallographic structure of Mexicain from Jacaratia mexicana
To be Published
1AX8
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Human obesity protein, leptin
分子名称: OBESITY PROTEIN
著者Zhang, F, Beals, J.M, Briggs, S.L, Clawson, D.K, Wery, J.-P, Schevitz, R.W.
登録日1997-10-31
公開日1998-11-25
最終更新日2012-05-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the obese protein leptin-E100.
Nature, 387, 1997
2JTN
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NMR Solution Structure of a ldb1-LID:Lhx3-LIM complex
分子名称: LIM domain-binding protein 1, LIM/homeobox protein Lhx3, ZINC ION
著者Lee, C, Nancarrow, A.L, Mackay, J.P, Matthews, J.M.
登録日2007-08-03
公開日2008-06-17
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Implementing the LIM code: the structural basis for cell type-specific assembly of LIM-homeodomain complexes
Embo J., 27, 2008
2FDN
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2[4FE-4S] FERREDOXIN FROM CLOSTRIDIUM ACIDI-URICI
分子名称: FERREDOXIN, IRON/SULFUR CLUSTER
著者Dauter, Z, Wilson, K.S, Sieker, L.C, Meyer, J, Moulis, J.M.
登録日1997-10-01
公開日1998-04-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (0.94 Å)
主引用文献Atomic resolution (0.94 A) structure of Clostridium acidurici ferredoxin. Detailed geometry of [4Fe-4S] clusters in a protein.
Biochemistry, 36, 1997
4D89
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Crystal Structure of Human Beta Secretase in Complex with NVP-BXD552, derived from a soaking experiment
分子名称: (3S,4S,5R)-3-(4-amino-3-{[(2R)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy}-5-fluorobenzyl)-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1
著者Rondeau, J.M, Bourgier, E.
登録日2012-01-10
公開日2012-11-21
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides
J.Med.Chem., 55, 2012
4D8F
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Chlamydia trachomatis NrdB with a Mn/Fe cofactor (procedure 1 - high Mn)
分子名称: ACETIC ACID, FE (III) ION, MANGANESE (II) ION, ...
著者Dassama, L.M.K, Boal, A.K, Krebs, C, Rosenzweig, A.C, Bollinger Jr, J.M.
登録日2012-01-10
公開日2012-02-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Evidence that the beta subunit of Chlamydia trachomatis ribonucleotide reductase is active with the manganese ion of its manganese(IV)/iron(III) cofactor in site 1.
J.Am.Chem.Soc., 134, 2012
4D85
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Crystal Structure of Human Beta Secretase in Complex with NVP-BVI151
分子名称: (3R,4S,5S)-3-[(3-tert-butylbenzyl)amino]-5-[(4,4,7'-trifluoro-1',2'-dihydrospiro[cyclohexane-1,3'-indol]-5'-yl)methyl]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1, IODIDE ION
著者Rondeau, J.M, Bourgier, E.
登録日2012-01-10
公開日2012-11-21
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides
J.Med.Chem., 55, 2012
4D8C
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Crystal Structure of Human Beta Secretase in Complex with NVP-BXD552, derived from a co-crystallization experiment
分子名称: (3S,4S,5R)-3-(4-amino-3-{[(2R)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy}-5-fluorobenzyl)-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1, SULFATE ION
著者Rondeau, J.M, Bourgier, E.
登録日2012-01-10
公開日2012-11-21
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides
J.Med.Chem., 55, 2012
4D88
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Crystal Structure of Human Beta Secretase in Complex with NVP-BXQ490
分子名称: (3S,4S,5R)-3-{4-amino-3-fluoro-5-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1
著者Rondeau, J.M, Bourgier, E.
登録日2012-01-10
公開日2012-11-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides
J.Med.Chem., 55, 2012
4D8G
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Chlamydia trachomatis NrdB with a Mn/Fe cofactor (procedure 2 - low Mn)
分子名称: FE (III) ION, MANGANESE (II) ION, Ribonucleoside-diphosphate reductase subunit beta
著者Dassama, L.M.K, Boal, A.K, Krebs, C, Rosenzweig, A.C, Bollinger Jr, J.M.
登録日2012-01-10
公開日2012-02-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Evidence that the beta subunit of Chlamydia trachomatis ribonucleotide reductase is active with the manganese ion of its manganese(IV)/iron(III) cofactor in site 1.
J.Am.Chem.Soc., 134, 2012
4D83
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Crystal Structure of Human Beta Secretase in Complex with NVP-BUR436, derived from a co-crystallization experiment
分子名称: (3R,4S,5S)-3-[(3-tert-butylbenzyl)amino]-5-{[3-(2,2-difluoroethyl)-1H-indol-5-yl]methyl}tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1
著者Rondeau, J.M, Bourgier, E.
登録日2012-01-10
公開日2012-11-21
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides
J.Med.Chem., 55, 2012

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