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3C4E
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BU of 3c4e by Molmil
Pim-1 Kinase Domain in Complex with 3-aminophenyl-7-azaindole
分子名称: IMIDAZOLE, N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine, Proto-oncogene serine/threonine-protein kinase Pim-1
著者Zhang, K.Y.J, Wang, W.
登録日2008-01-29
公開日2008-02-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity
Proc.Natl.Acad.Sci.Usa, 105, 2008
1AIN
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BU of 1ain by Molmil
CRYSTAL STRUCTURE OF HUMAN ANNEXIN I AT 2.5 ANGSTROMS RESOLUTION
分子名称: ANNEXIN I, CALCIUM ION
著者Kim, S.-H.
登録日1992-06-03
公開日1993-07-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of human annexin I at 2.5 A resolution.
Protein Sci., 2, 1993
3C4F
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BU of 3c4f by Molmil
FGFR TYROSINE KINASE DOMAIN IN COMPLEX WITH 3-(3-methoxybenzyl)-7-azaindole
分子名称: 3-(3-methoxybenzyl)-1H-pyrrolo[2,3-b]pyridine, Basic fibroblast growth factor receptor 1
著者Zhang, K.Y.J, Wang, W.
登録日2008-01-29
公開日2008-02-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity
Proc.Natl.Acad.Sci.Usa, 105, 2008
1BU2
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BU of 1bu2 by Molmil
X-RAY STRUCTURE OF A VIRAL CYCLIN FROM HERPESVIRUS SAIMIRI
分子名称: CYCLIN HOMOLOG
著者Schulze-Gahmen, U, Jung, J.U, Kim, S.-H.
登録日1998-09-10
公開日1999-06-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of a viral cyclin, a positive regulator of cyclin-dependent kinase 6.
Structure Fold.Des., 7, 1999
1HMC
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BU of 1hmc by Molmil
THREE-DIMENSIONAL STRUCTURE OF DIMERIC HUMAN RECOMBINANT MACROPHAGE COLONY STIMULATING FACTOR
分子名称: HUMAN MACROPHAGE COLONY STIMULATING FACTOR
著者Bohm, A, Pandit, J, Jancarik, J, Halenbeck, R, Koths, K, Kim, S.-H.
登録日1993-12-22
公開日1994-04-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Three-dimensional structure of dimeric human recombinant macrophage colony-stimulating factor.
Science, 258, 1992
5DH4
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BU of 5dh4 by Molmil
PDE10 complexed with 5-chloro-N-[(2,4-dimethylthiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
分子名称: 3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-2,4-dione, 5-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine, MAGNESIUM ION, ...
著者Yan, Y.
登録日2015-08-29
公開日2016-01-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of pyrazolopyrimidine phosphodiesterase 10A inhibitors for the treatment of schizophrenia.
Bioorg.Med.Chem.Lett., 26, 2016
5DH5
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BU of 5dh5 by Molmil
PDE10 complexed with N-[(1-methylpyrazol-4-yl)methyl]-5-[[(1S,2S)-2-(2-pyridyl)cyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine
分子名称: MAGNESIUM ION, N-[(1-methyl-1H-pyrazol-4-yl)methyl]-5-{[(1S,2S)-2-(pyridin-2-yl)cyclopropyl]methoxy}pyrazolo[1,5-a]pyrimidin-7-amine, ZINC ION, ...
著者Yan, Y.
登録日2015-08-29
公開日2016-01-27
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of pyrazolopyrimidine phosphodiesterase 10A inhibitors for the treatment of schizophrenia.
Bioorg.Med.Chem.Lett., 26, 2016
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
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
1YED
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BU of 1yed by Molmil
STRUCTURE OF A CATALYTIC ANTIBODY IGG2A FAB FRAGMENT (D2.4)
分子名称: 4-NITRO-BENZYLPHOSPHONOBUTANOYL-GLYCINE, IGG1 FAB FRAGMENT (D.2.4)
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 (3.1 Å)
主引用文献Structural convergence in the active sites of a family of catalytic antibodies.
Science, 275, 1997
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
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
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
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2024-05-22
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
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
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
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
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
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
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
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
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

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