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1YEE
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BU of 1yee by Molmil
STRUCTURE OF A CATALYTIC ANTIBODY, IGG2A FAB FRAGMENT (D2.5)
分子名称: 4-NITRO-BENZYLPHOSPHONOBUTANOYL-GLYCINE, IGG2A FAB FRAGMENT (D2.5)
著者Golinelli-Pimpaneau, B, Knossow, M.
登録日1997-04-15
公開日1997-10-15
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural convergence in the active sites of a family of catalytic antibodies.
Science, 275, 1997
1YEC
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BU of 1yec by Molmil
STRUCTURE OF A CATALYTIC ANTIBODY IGG2A FAB FRAGMENT (D2.3)
分子名称: 4-NITRO-BENZYLPHOSPHONOBUTANOYL-GLYCINE, IGG2A FAB FRAGMENT (D2.3), ZINC ION
著者Golinelli-Pimpaneau, B, Knossow, M.
登録日1997-04-15
公開日1997-10-15
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural convergence in the active sites of a family of catalytic antibodies.
Science, 275, 1997
3R4Z
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BU of 3r4z by Molmil
Crystal structure of alpha-neoagarobiose hydrolase (ALPHA-NABH) in complex with alpha-d-galactopyranose from Saccharophagus degradans 2-40
分子名称: Glycosyl hydrolase family 32, N terminal, alpha-D-galactopyranose
著者Lee, S, Lee, J.Y, Ha, S.C, Shin, D.H, Kim, K.H, Bang, W.G, Kim, S.H, Choi, I.G.
登録日2011-03-18
公開日2012-02-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of a key enzyme in the agarolytic pathway, alpha-neoagarobiose hydrolase from Saccharophagus degradans 2-40
Biochem.Biophys.Res.Commun., 412, 2011
3R4Y
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BU of 3r4y by Molmil
Crystal structure of alpha-neoagarobiose hydrolase (ALPHA-NABH) from Saccharophagus degradans 2-40
分子名称: Glycosyl hydrolase family 32, N terminal
著者Lee, S, Lee, J.Y, Ha, S.C, Shin, D.H, Kim, K.H, Bang, W.G, Kim, S.H, Choi, I.G.
登録日2011-03-18
公開日2012-02-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a key enzyme in the agarolytic pathway, alpha-neoagarobiose hydrolase from Saccharophagus degradans 2-40
Biochem.Biophys.Res.Commun., 412, 2011
4MON
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BU of 4mon by Molmil
ORTHORHOMBIC MONELLIN
分子名称: MONELLIN
著者Bujacz, G, Wlodawer, A.
登録日1997-03-04
公開日1997-07-07
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of monellin refined to 2.3 a resolution in the orthorhombic crystal form.
Acta Crystallogr.,Sect.D, 53, 1997
3CO9
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BU of 3co9 by Molmil
Crystal structure of HCV NS5B polymerase with a novel pyridazinone inhibitor
分子名称: N-{3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7 -yl}methanesulfonamide, RNA-directed RNA polymerase
著者Han, Q, Showalter, R.E, Zhao, Q, Kissinger, C.R.
登録日2008-03-27
公開日2009-02-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Pyrrolo[1,2-b]pyridazin-2-ones as potent inhibitors of HCV NS5B polymerase.
Bioorg.Med.Chem.Lett., 18, 2008
3H2L
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BU of 3h2l by Molmil
Crystal structure of HCV NS5B polymerase in complex with a novel bicyclic dihydro-pyridinone inhibitor
分子名称: N-{3-[(4aR,7aS)-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, NS5B polymerase
著者Han, Q, Showalter, R.E, Zhou, Q, Kissinger, C.R.
登録日2009-04-14
公開日2009-12-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of tricyclic 5,6-dihydro-1H-pyridin-2-ones as novel, potent, and orally bioavailable inhibitors of HCV NS5B polymerase.
Bioorg.Med.Chem.Lett., 19, 2009
5GGU
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BU of 5ggu by Molmil
Crystal structure of tremelimumab Fab
分子名称: heavy chain, light chain
著者Heo, Y.S.
登録日2016-06-16
公開日2016-11-09
最終更新日2016-11-16
実験手法X-RAY DIFFRACTION (2.292 Å)
主引用文献Structural basis of checkpoint blockade by monoclonal antibodies in cancer immunotherapy
Nat Commun, 7, 2016
5GGV
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BU of 5ggv by Molmil
CTLA-4 in complex with tremelimumab Fab
分子名称: Cytotoxic T-lymphocyte protein 4, heavy chain, light chain
著者Heo, Y.S.
登録日2016-06-16
公開日2016-11-09
最終更新日2016-11-16
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Structural basis of checkpoint blockade by monoclonal antibodies in cancer immunotherapy
Nat Commun, 7, 2016
5GGS
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BU of 5ggs by Molmil
PD-1 in complex with pembrolizumab Fab
分子名称: Programmed cell death protein 1, heavy chain, light chain
著者Heo, Y.S.
登録日2016-06-16
公開日2016-11-09
最終更新日2016-11-16
実験手法X-RAY DIFFRACTION (1.997 Å)
主引用文献Structural basis of checkpoint blockade by monoclonal antibodies in cancer immunotherapy
Nat Commun, 7, 2016
5GGT
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BU of 5ggt by Molmil
PD-L1 in complex with BMS-936559 Fab
分子名称: IGK@ protein, IgG H chain, Programmed cell death 1 ligand 1
著者Heo, Y.S.
登録日2016-06-16
公開日2016-11-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis of checkpoint blockade by monoclonal antibodies in cancer immunotherapy
Nat Commun, 7, 2016
5GGR
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BU of 5ggr by Molmil
PD-1 in complex with nivolumab Fab
分子名称: Programmed cell death protein 1, heavy chain, light chain
著者Heo, Y.S.
登録日2016-06-16
公開日2016-11-09
最終更新日2016-11-16
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural basis of checkpoint blockade by monoclonal antibodies in cancer immunotherapy
Nat Commun, 7, 2016
5GGQ
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BU of 5ggq by Molmil
Crystal structure of Nivolumab Fab fragment
分子名称: nivolumab heavy chain, nivolumab light chain
著者Heo, Y.S.
登録日2016-06-16
公開日2016-11-09
最終更新日2016-11-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis of checkpoint blockade by monoclonal antibodies in cancer immunotherapy
Nat Commun, 7, 2016
3L0T
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BU of 3l0t by Molmil
Crystal structure of catalytic domain of TACE with hydantoin inhibitor
分子名称: Disintegrin and metalloproteinase domain-containing protein 17, ISOPROPYL ALCOHOL, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ...
著者Orth, P.
登録日2009-12-10
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Discovery and SAR of hydantoin TACE inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3L0V
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BU of 3l0v by Molmil
Crystal structure of catalytic domain of TACE with the first hydantoin inhibitor occupying the S1' pocket
分子名称: (5R)-5-[(5-methoxy-3-oxo-1,3-dihydro-2H-indazol-2-yl)methyl]-5-methylimidazolidine-2,4-dione, Disintegrin and metalloproteinase domain-containing protein 17, ZINC ION
著者Orth, P.
登録日2009-12-10
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery and SAR of hydantoin TACE inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3LEA
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BU of 3lea by Molmil
Crystal structure of the catalytic domain of TACE with Isoindolinone-biphenyl-hydantoin inhibitor
分子名称: 2-{[(4R)-2,5-dioxo-4-(4-pyridin-3-ylphenyl)imidazolidin-4-yl]methyl}-6-methoxy-1-oxo-1H-isoindolium, Disintegrin and metalloproteinase domain-containing protein 17, ISOPROPYL ALCOHOL, ...
著者Orth, P.
登録日2010-01-14
公開日2010-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Biaryl substituted hydantoin compounds as TACE inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3LE9
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BU of 3le9 by Molmil
Crystal structure of the catalytic domain of TACE with Indazolinone-phenyl-hydantoin inhibitor
分子名称: (5R)-5-[(5-methoxy-3-oxo-1,3-dihydro-2H-indazol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione, Disintegrin and metalloproteinase domain-containing protein 17, ISOPROPYL ALCOHOL, ...
著者Orth, P.
登録日2010-01-14
公開日2010-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Biaryl substituted hydantoin compounds as TACE inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
5EY2
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BU of 5ey2 by Molmil
Crystal structure of CodY from Bacillus cereus
分子名称: GTP-sensing transcriptional pleiotropic repressor CodY
著者Han, A, Lee, W.C, Son, J, Kim, S.H, Hwang, K.Y.
登録日2015-11-24
公開日2016-09-14
最終更新日2020-02-19
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The structure of the pleiotropic transcription regulator CodY provides insight into its GTP-sensing mechanism
Nucleic Acids Res., 44, 2016
3CWB
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BU of 3cwb by Molmil
Chicken Cytochrome BC1 Complex inhibited by an iodinated analogue of the polyketide Crocacin-D
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, AZIDE ION, CARDIOLIPIN, ...
著者Huang, L, Cromartie, T, Viner, R, Crowley, P.J, Berry, E.A.
登録日2008-04-21
公開日2008-08-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.51 Å)
主引用文献The role of molecular modeling in the design of analogues of the fungicidal natural products crocacins A and D.
Bioorg.Med.Chem., 16, 2008
5Y3N
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BU of 5y3n by Molmil
Structure of TRAP1 complexed with DN401
分子名称: 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine, Heat shock protein 75 kDa, mitochondrial
著者Jeong, H, Park, H.K, Kang, S, Kang, B.H, Lee, C.
登録日2017-07-29
公開日2017-08-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Paralog Specificity Determines Subcellular Distribution, Action Mechanism, and Anticancer Activity of TRAP1 Inhibitors.
J. Med. Chem., 60, 2017
5Y3O
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BU of 5y3o by Molmil
Structure of TRAP1 complexed with DN320
分子名称: 4-chloranyl-1-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine, Heat shock protein 75 kDa, mitochondrial
著者Jeong, H, Park, H.K, Kang, S, Kang, B.H, Lee, C.
登録日2017-07-29
公開日2017-08-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Paralog Specificity Determines Subcellular Distribution, Action Mechanism, and Anticancer Activity of TRAP1 Inhibitors.
J. Med. Chem., 60, 2017
2P3U
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BU of 2p3u by Molmil
Crystal structure of human factor XA complexed with 3-chloro-N-(4-chloro-2-{[(5-chloropyridin-2-yl)amino]carbonyl}-6-methoxyphenyl)-4-[(1-methyl-1H-imidazol-2-yl)methyl]thiophene-2-carboxamide {Pfizer 320663}
分子名称: 3-CHLORO-N-(4-CHLORO-2-{[(5-CHLOROPYRIDIN-2-YL)AMINO]CARBONYL}-6-METHOXYPHENYL)-4-[(1-METHYL-1H-IMIDAZOL-2-YL)METHYL]THIOPHENE-2-CARBOXAMIDE, CALCIUM ION, Coagulation factor X
著者Adler, M, Whitlow, M.
登録日2007-03-09
公開日2007-09-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献

2P3T
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BU of 2p3t by Molmil
Crystal structure of human factor XA complexed with 3-Chloro-4-(2-methylamino-imidazol-1-ylmethyl)-thiophene-2-carboxylic acid [4-chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)-6-methoxy-phenyl]-amide
分子名称: 3-CHLORO-4-(2-METHYLAMINO-IMIDAZOL-1-YLMETHYL)-THIOPHENE-2-CARBOXYLIC ACID [4-CHLORO-2-(5-CHLORO-PYRIDIN-2-YLCARBAMOYL)-6-METHOXY-PHENYL]-AMIDE, CALCIUM ION, CHLORIDE ION, ...
著者Adler, M, Whitlow, M.
登録日2007-03-09
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Thiophene-anthranilamides as highly potent and orally available factor xa inhibitors.
J.Med.Chem., 50, 2007
1B39
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HUMAN CYCLIN-DEPENDENT KINASE 2 PHOSPHORYLATED ON THR 160
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PROTEIN (CELL DIVISION PROTEIN KINASE 2)
著者Brown, N.R, Noble, M.E.M, Lawrie, A.M, Morris, M.C, Tunnah, P, Divita, G, Johnson, L.N, Endicott, J.A.
登録日1998-12-17
公開日1998-12-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Effects of phosphorylation of threonine 160 on cyclin-dependent kinase 2 structure and activity.
J.Biol.Chem., 274, 1999
1B38
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HUMAN CYCLIN-DEPENDENT KINASE 2
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PROTEIN (CELL DIVISION PROTEIN KINASE 2)
著者Brown, N.R, Noble, M.E.M, Lawrie, A.M, Morris, M.C, Tunnah, P, Divita, G, Johnson, L.N, Endicott, J.A.
登録日1998-12-17
公開日1998-12-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Effects of phosphorylation of threonine 160 on cyclin-dependent kinase 2 structure and activity.
J.Biol.Chem., 274, 1999

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