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3H52
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BU of 3h52 by Molmil
Crystal structure of the antagonist form of human glucocorticoid receptor
分子名称: 11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE, GLYCEROL, Glucocorticoid receptor, ...
著者Schoch, G.A, Benz, J, D'Arcy, B, Stihle, M, Burger, D, Thoma, R, Ruf, A.
登録日2009-04-21
公開日2009-12-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Molecular switch in the glucocorticoid receptor: active and passive antagonist conformations
J.Mol.Biol., 395, 2010
3HHD
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BU of 3hhd by Molmil
Structure of the Human Fatty Acid Synthase KS-MAT Didomain as a Framework for Inhibitor Design.
分子名称: CHLORIDE ION, Fatty acid synthase
著者Pappenberger, G.M, Benz, J, Thoma, R, Rudolph, M.G.
登録日2009-05-15
公開日2010-02-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure of the human fatty acid synthase KS-MAT didomain as a framework for inhibitor design.
J.Mol.Biol., 397, 2010
1THF
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BU of 1thf by Molmil
CYCLASE SUBUNIT OF IMIDAZOLEGLYCEROLPHOSPHATE SYNTHASE FROM THERMOTOGA MARITIMA
分子名称: HISF PROTEIN, PHOSPHATE ION
著者Lang, D.A, Wilmanns, M.
登録日1998-09-17
公開日2000-07-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural evidence for evolution of the beta/alpha barrel scaffold by gene duplication and fusion.
Science, 289, 2000
1LBM
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BU of 1lbm by Molmil
CRYSTAL STRUCTURE OF PHOSPHORIBOSYL ANTHRANILATE ISOMERASE (PRAI) IN COMPLEX WITH REDUCED 1-(O-CARBOXYPHENYLAMINO)-1-DEOXYRIBULOSE 5-PHOSPHATE (RCDRP)
分子名称: 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-D-RIBULOSE-5-PHOSPHATE, PHOSPHORIBOSYL ANTHRANILATE ISOMERASE
著者Hennig, M, Sterner, R, Kirschner, K.
登録日2002-04-04
公開日2002-12-18
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Two (betaalpha)(8)-barrel enzymes of histidine and tryptophan biosynthesis have similar reaction mechanisms and common strategies for protecting their labile substrates
Biochemistry, 41, 2002
2XU1
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BU of 2xu1 by Molmil
CATHEPSIN L WITH A NITRILE INHIBITOR
分子名称: (2S,4R)-1-[1-(4-chlorophenyl)cyclopropyl]carbonyl-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide, CATHEPSIN L1
著者Banner, D.W, Benz, J.M, Steinbacher, S, Haap, W.
登録日2010-10-14
公開日2011-01-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Systematic Investigation of Halogen Bonding in Protein-Ligand Interactions.
Angew.Chem.Int.Ed.Engl., 50, 2011
2XU3
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BU of 2xu3 by Molmil
CATHEPSIN L WITH A NITRILE INHIBITOR
分子名称: (2S,4R)-4-(2-chlorophenyl)sulfonyl-1-[1-(5-chlorothiophen-2-yl)cyclopropyl]carbonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CATHEPSIN L1, ...
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2023-12-20
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Systematic Investigation of Halogen Bonding in Protein-Ligand Interactions.
Angew.Chem.Int.Ed.Engl., 50, 2011
2XU4
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BU of 2xu4 by Molmil
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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BU of 2xu5 by Molmil
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
2YJ8
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BU of 2yj8 by Molmil
CATHEPSIN L WITH A NITRILE INHIBITOR
分子名称: (2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-(4-iodophenyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide, CATHEPSIN L1, GLYCEROL
著者Banner, D.W, Benz, J.M, Haap, W.
登録日2011-05-19
公開日2011-11-23
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Halogen Bonding at the Active Sites of Human Cathepsin L and Mek1 Kinase: Efficient Interactions in Different Environments.
Chemmedchem, 6, 2011
2YJC
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BU of 2yjc by Molmil
CATHEPSIN L WITH A NITRILE INHIBITOR
分子名称: (2S,4R)-1-[1-(4-chlorophenyl)cyclopropyl]carbonyl-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide, CATHEPSIN L1
著者Banner, D.W, Benz, J.M, Haap, W.
登録日2011-05-19
公開日2011-11-23
最終更新日2011-11-30
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Halogen Bonding at the Active Sites of Human Cathepsin L and Mek1 Kinase: Efficient Interactions in Different Environments.
Chemmedchem, 6, 2011
2YJ9
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BU of 2yj9 by Molmil
CATHEPSIN L WITH A NITRILE INHIBITOR
分子名称: (2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]carbonyl-pyrrolidine-2-carboxamide, CATHEPSIN L1, GLYCEROL
著者Banner, D.W, Benz, J.M, Haap, W.
登録日2011-05-19
公開日2011-11-23
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Halogen Bonding at the Active Sites of Human Cathepsin L and Mek1 Kinase: Efficient Interactions in Different Environments.
Chemmedchem, 6, 2011
2YJ2
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BU of 2yj2 by Molmil
CATHEPSIN L WITH A NITRILE INHIBITOR
分子名称: (2S,4R)-1-[1-(4-BROMOPHENYL)CYCLOPROPYL]CARBONYL-4-(2-CHLOROPHENYL)SULFONYL-N-[1-(IMINOMETHYL)CYCLOPROPYL]PYRROLIDINE-2-CARBOXAMIDE, CATHEPSIN L1, GLYCEROL
著者Banner, D.W, Benz, J.M, Haap, W.
登録日2011-05-18
公開日2011-11-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Halogen Bonding at the Active Sites of Human Cathepsin L and Mek1 Kinase: Efficient Interactions in Different Environments.
Chemmedchem, 6, 2011
2YJB
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BU of 2yjb by Molmil
CATHEPSIN L WITH A NITRILE INHIBITOR
分子名称: (2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]carbonyl-pyrrolidine-2-carboxamide, CATHEPSIN L1, GLYCEROL
著者Banner, D.W, Benz, J.M, Haap, W.
登録日2011-05-19
公開日2011-11-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Halogen Bonding at the Active Sites of Human Cathepsin L and Mek1 Kinase: Efficient Interactions in Different Environments.
Chemmedchem, 6, 2011
4MZO
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BU of 4mzo by Molmil
Mouse cathepsin s with covalent ligand (3S,4S)-N-[(2E)-2-IMINOETHYL]-4-(MORPHOLIN-4-YLCARBONYL)-1-(PHENYLSULFONYL)PYRROLIDINE-3-CARBOXAMIDE
分子名称: (3S,4S)-N-[(2E)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)-1-(phenylsulfonyl)pyrrolidine-3-carboxamide, Cathepsin S
著者Kuglstatter, A, Stihle, M.
登録日2013-09-30
公開日2014-09-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Identification of potent and selective cathepsin S inhibitors containing different central cyclic scaffolds.
J.Med.Chem., 56, 2013
4MZS
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BU of 4mzs by Molmil
Mouse cathepsin s with covalent ligand (3S,4S)-1-[(2-CHLOROPHENYL)SULFONYL]-N-[(2E)-2-IMINOETHYL]-4-(MORPHOLIN-4-YLCARBONYL)PYRROLIDINE-3-CARBOXAMIDE
分子名称: (3S,4S)-1-[(2-chlorophenyl)sulfonyl]-N-[(2E)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)pyrrolidine-3-carboxamide, Cathepsin S
著者Kuglstatter, A, Stihle, M.
登録日2013-09-30
公開日2014-08-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Identification of potent and selective cathepsin S inhibitors containing different central cyclic scaffolds.
J.Med.Chem., 56, 2013
4BSQ
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BU of 4bsq by Molmil
MOUSE CATHEPSIN S WITH COVALENT LIGAND
分子名称: (1R,2R,4R)-N-(2-azanylideneethyl)-2-morpholin-4-ylcarbonyl-4-(phenylsulfonyl)cyclopentane-1-carboxamide, CATHEPSIN S, SULFATE ION
著者Banner, D.W, Benz, J, Gsell, B, Stihle, M, Ruf, A, Hilpert, H.
登録日2013-06-11
公開日2013-11-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Identification of Potent and Selective Cathepsin S (Cats) Inhibitors Containing Different Central Cyclic Scaffolds.
J.Med.Chem., 56, 2013
4BS5
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MOUSE CATHEPSIN S WITH COVALENT LIGAND
分子名称: (2S,4R)-N-[1-(iminomethyl)cyclopropyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-pyrrolidine-2-carboxamide, CATHEPSIN S
著者Banner, D.W, Benz, J, Gsell, B, Stihle, M, Ruf, A, Haap, W.
登録日2013-06-07
公開日2013-11-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Identification of Potent and Selective Cathepsin S (Cats) Inhibitors Containing Different Central Cyclic Scaffolds.
J.Med.Chem., 56, 2013
2MPE
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BU of 2mpe by Molmil
Solution NMR structure for B. pseudomallei BPSL1050
分子名称: BPSL1050
著者Gaudesi, D, Musco, G, Quilici, G.
登録日2014-05-15
公開日2015-03-11
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure-Based Design of a B Cell Antigen from B. pseudomallei.
Acs Chem.Biol., 10, 2015
6ATF
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BU of 6atf by Molmil
HLA-DRB1*1402 in complex with Vimentin59-71
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scally, S.W, Ting, Y.T, Rossjohn, J.
登録日2017-08-29
公開日2017-09-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular basis for increased susceptibility of Indigenous North Americans to seropositive rheumatoid arthritis.
Ann. Rheum. Dis., 76, 2017
6ATZ
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BU of 6atz by Molmil
HLA-DRB1*1402 in complex with citrullinated fibrinogen peptide
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Fibrinogen beta chain, ...
著者Ting, Y.T, Scally, S.W, Rossjohn, J.
登録日2017-08-29
公開日2017-09-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular basis for increased susceptibility of Indigenous North Americans to seropositive rheumatoid arthritis.
Ann. Rheum. Dis., 76, 2017
6ATI
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BU of 6ati by Molmil
HLA-DRB1*1402 in complex with Vimentin-64Cit59-71
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DR alpha chain, ...
著者Scally, S.W, Ting, Y.T, Rossjohn, J.
登録日2017-08-29
公開日2017-09-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Molecular basis for increased susceptibility of Indigenous North Americans to seropositive rheumatoid arthritis.
Ann. Rheum. Dis., 76, 2017
6BIL
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BU of 6bil by Molmil
HLA-DRB1 in complex with citrullinated fibrinogen peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fibrinogen beta 74cit69-81, HLA class II histocompatibility antigen, ...
著者Ting, Y.T, Scally, S.W, Rossjohn, J.
登録日2017-11-02
公開日2018-01-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The interplay between citrullination and HLA-DRB1 polymorphism in shaping peptide binding hierarchies in rheumatoid arthritis.
J. Biol. Chem., 293, 2018
6BIV
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BU of 6biv by Molmil
HLA-DRB1 in complex with citrullinated LL37 peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DR alpha chain, ...
著者Ting, Y.T, Scally, S.W, Rossjohn, J.
登録日2017-11-03
公開日2018-01-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The interplay between citrullination and HLA-DRB1 polymorphism in shaping peptide binding hierarchies in rheumatoid arthritis.
J. Biol. Chem., 293, 2018
6BIX
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BU of 6bix by Molmil
HLA-DRB1 in complex with citrullinated LL37 peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II DR-beta (HLA-DR B), HLA class II histocompatibility antigen, ...
著者Ting, Y.T, Scally, S.W, Rossjohn, J.
登録日2017-11-03
公開日2018-01-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The interplay between citrullination and HLA-DRB1 polymorphism in shaping peptide binding hierarchies in rheumatoid arthritis.
J. Biol. Chem., 293, 2018
6BIJ
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BU of 6bij by Molmil
HLA-DRB1 in complex with citrullinated fibrinogen peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Citrullinated Fibrinogen 72,74Cit69-81, HLA class II histocompatibility antigen, ...
著者Ting, Y.T, Scally, S.W, Rossjohn, J.
登録日2017-11-02
公開日2018-01-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The interplay between citrullination and HLA-DRB1 polymorphism in shaping peptide binding hierarchies in rheumatoid arthritis.
J. Biol. Chem., 293, 2018

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