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4DYS
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BU of 4dys by Molmil
Crystal Structure of Apo Swine Flu Influenza Nucleoprotein
分子名称: Nucleocapsid protein
著者Lewis, H.A, Baldwin, E.T, Steinbacher, S, Maskos, K, Mortl, M, Kiefersauer, R, Edavettal, S, McDonnell, P.A, Pearce, B.C, Langley, D.R.
登録日2012-02-29
公開日2013-03-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献To be determined
To be Published
4DYB
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BU of 4dyb by Molmil
Crystal Structure of WSN/A Influenza Nucleoprotein with BMS-883559 Ligand Bound
分子名称: N-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]thiophene-2-carboxamide, Nucleocapsid protein
著者Lewis, H.A, Baldwin, E.T, Steinbacher, S, Maskos, K, Mortl, M, Kiefersauer, R, Edavettal, S, McDonnell, P.A, Pearce, B.C, Langley, D.R.
登録日2012-02-28
公開日2013-03-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献To be determined
To be Published
4DYT
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BU of 4dyt by Molmil
Crystal Structure of WSN/A Influenza Nucleoprotein with Three Mutations (E53D, Y289H, Y313V)
分子名称: Nucleocapsid protein
著者Lewis, H.A, Baldwin, E.T, Steinbacher, S, Maskos, K, Mortl, M, Kiefersauer, R, Edavettal, S, McDonnell, P.A, Pearce, B.C, Langley, D.R.
登録日2012-02-29
公開日2013-03-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献To be determined
To be Published
4DYN
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BU of 4dyn by Molmil
Crystal Structure of WSN/A Influenza Nucleoprotein with BMS-885838 Ligand Bound
分子名称: N-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]pyridine-2-carboxamide, Nucleocapsid protein
著者Lewis, H.A, Baldwin, E.T, Steinbacher, S, Maskos, K, Mortl, M, Kiefersauer, R, Edavettal, S, McDonnell, P.A, Pearce, B.C, Langley, D.R.
登録日2012-02-29
公開日2013-03-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献To be determined
To be Published
1POK
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BU of 1pok by Molmil
Crystal structure of Isoaspartyl Dipeptidase
分子名称: ASPARAGINE, Isoaspartyl dipeptidase, SULFATE ION, ...
著者Jozic, D, Kaiser, J.T, Huber, R, Bode, W, Maskos, K.
登録日2003-06-15
公開日2004-06-22
最終更新日2018-05-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献X-ray structure of isoaspartyl dipeptidase from E.coli: a dinuclear zinc peptidase evolved from amidohydrolases.
J.Mol.Biol., 332, 2003
1POJ
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BU of 1poj by Molmil
Isoaspartyl Dipeptidase with bound inhibitor
分子名称: 2-{[[(1S)-1-AMINO-2-CARBOXYETHYL](DIHYDROXY)PHOSPHORANYL]METHYL}-4-METHYLPENTANOIC ACID, Isoaspartyl dipeptidase, ZINC ION
著者Jozic, D, Kaiser, J.T, Huber, R, Bode, W, Maskos, K.
登録日2003-06-15
公開日2004-06-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献X-ray structure of isoaspartyl dipeptidase from E.coli: a dinuclear zinc peptidase evolved from amidohydrolases.
J.Mol.Biol., 332, 2003
1PO9
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BU of 1po9 by Molmil
Crytsal structure of isoaspartyl dipeptidase
分子名称: Isoaspartyl dipeptidase, ZINC ION
著者Jozic, D, Kaiser, J.T, Huber, R, Bode, W, Maskos, K.
登録日2003-06-15
公開日2004-06-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray structure of isoaspartyl dipeptidase from E.coli: a dinuclear zinc peptidase evolved from amidohydrolases.
J.Mol.Biol., 332, 2003
1BUV
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BU of 1buv by Molmil
CRYSTAL STRUCTURE OF THE MT1-MMP-TIMP-2 COMPLEX
分子名称: CALCIUM ION, PROTEIN (MEMBRANE-TYPE MATRIX METALLOPROTEINASE (CDMT1-MMP)), PROTEIN (METALLOPROTEINASE INHIBITOR (TIMP-2)), ...
著者Fernandez-Catalan, C, Bode, W, Huber, R, Turk, D, Calvete, J.J, Lichte, A, Tschesche, H, Maskos, K.
登録日1998-09-07
公開日1999-09-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal structure of the complex formed by the membrane type 1-matrix metalloproteinase with the tissue inhibitor of metalloproteinases-2, the soluble progelatinase A receptor.
EMBO J., 17, 1998
1BQQ
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BU of 1bqq by Molmil
CRYSTAL STRUCTURE OF THE MT1-MMP--TIMP-2 COMPLEX
分子名称: CALCIUM ION, MEMBRANE-TYPE MATRIX METALLOPROTEINASE, METALLOPROTEINASE INHIBITOR 2, ...
著者Fernandez-Catalan, C, Bode, W, Huber, R, Turk, D, Calvete, J.J, Lichte, A, Tschesche, H, Maskos, K.
登録日1998-08-18
公開日1999-08-18
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal structure of the complex formed by the membrane type 1-matrix metalloproteinase with the tissue inhibitor of metalloproteinases-2, the soluble progelatinase A receptor.
EMBO J., 17, 1998
2OW1
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BU of 2ow1 by Molmil
MMP-9 active site mutant with trifluoromethyl hydroxamate inhibitor
分子名称: (2R)-2-AMINO-3,3,3-TRIFLUORO-N-HYDROXY-2-{[(4-PHENOXYPHENYL)SULFONYL]METHYL}PROPANAMIDE, CALCIUM ION, CHLORIDE ION, ...
著者Tochowicz, A, Bode, W, Maskos, K, Goettig, P.
登録日2007-02-15
公開日2007-06-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structures of MMP-9 Complexes with Five Inhibitors: Contribution of the Flexible Arg424 Side-chain to Selectivity.
J.Mol.Biol., 371, 2007
2OVZ
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MMP-9 active site mutant with phosphinate inhibitor
分子名称: CALCIUM ION, CHLORIDE ION, Matrix metalloproteinase-9 (EC 3.4.24.35) (MMP-9) (92 kDa type IV collagenase) (92 kDa gelatinase) (Gelatinase B) (GELB), ...
著者Tochowicz, A, Bode, W, Maskos, K, Goettig, P.
登録日2007-02-15
公開日2007-06-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures of MMP-9 Complexes with Five Inhibitors: Contribution of the Flexible Arg424 Side-chain to Selectivity.
J.Mol.Biol., 371, 2007
2OVX
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BU of 2ovx by Molmil
MMP-9 active site mutant with barbiturate inhibitor
分子名称: 5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN-2-YLPIPERAZIN-1-YL)PYRIMIDINE-2,4,6(2H,3H)-TRIONE, CALCIUM ION, CHLORIDE ION, ...
著者Tochowicz, A, Bode, W, Maskos, K, Goettig, P.
登録日2007-02-15
公開日2007-06-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures of MMP-9 Complexes with Five Inhibitors: Contribution of the Flexible Arg424 Side-chain to Selectivity.
J.Mol.Biol., 371, 2007
2OW0
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BU of 2ow0 by Molmil
MMP-9 active site mutant with iodine-labeled carboxylate inhibitor
分子名称: CALCIUM ION, CHLORIDE ION, Matrix metalloproteinase-9 (MMP-9) (92 kDa type IV collagenase) (92 kDa gelatinase) (Gelatinase B) (GELB), ...
著者Tochowicz, A, Bode, W, Maskos, K, Goettig, P.
登録日2007-02-15
公開日2007-06-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures of MMP-9 Complexes with Five Inhibitors: Contribution of the Flexible Arg424 Side-chain to Selectivity.
J.Mol.Biol., 371, 2007
2OW2
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BU of 2ow2 by Molmil
MMP-9 active site mutant with difluoro butanoic acid inhibitor
分子名称: (3R)-4,4-DIFLUORO-3-[(4-METHOXYPHENYL)SULFONYL]BUTANOIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Tochowicz, A, Bode, W, Maskos, K, Goettig, P.
登録日2007-02-15
公開日2007-06-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structures of MMP-9 Complexes with Five Inhibitors: Contribution of the Flexible Arg424 Side-chain to Selectivity.
J.Mol.Biol., 371, 2007
2NSM
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BU of 2nsm by Molmil
Crystal structure of the human carboxypeptidase N (Kininase I) catalytic domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Carboxypeptidase N catalytic chain, SULFATE ION
著者Keil, C, Maskos, K, Than, M, Hoopes, J.T, Huber, R, Tan, F, Deddish, P.A, Erdoes, E.G, Skidgel, R.A, Bode, W.
登録日2006-11-05
公開日2007-04-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the human carboxypeptidase N (kininase I) catalytic domain
J.Mol.Biol., 366, 2007
2QZW
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BU of 2qzw by Molmil
Secreted aspartic proteinase (Sap) 1 from Candida albicans
分子名称: Candidapepsin-1
著者Ruge, E, Borelli, C, Maskos, K, Huber, R.
登録日2007-08-17
公開日2008-07-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献X-ray structures of Sap1 and Sap5: Structural comparison of the secreted aspartic proteinases from Candida albicans.
Proteins, 72, 2008
1RM8
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BU of 1rm8 by Molmil
Crystal structure of the catalytic domain of MMP-16/MT3-MMP: Characterization of MT-MMP specific features
分子名称: 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, CALCIUM ION, Matrix metalloproteinase-16, ...
著者Lang, R, Braun, M, Sounni, N.E, Noel, A, Frankenne, F, Foidart, J.-M, Bode, W, Maskos, K.
登録日2003-11-27
公開日2004-03-09
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of the catalytic domain of MMP-16/MT3-MMP: characterization of MT-MMP specific features.
J.Mol.Biol., 336, 2004
1SU3
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BU of 1su3 by Molmil
X-ray structure of human proMMP-1: New insights into collagenase action
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Jozic, D, Bourenkov, G, Lim, N.H, Nagase, H, Bode, W, Maskos, K, Structural Proteomics in Europe (SPINE)
登録日2004-03-26
公開日2004-12-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献X-ray structure of human proMMP-1: new insights into procollagenase activation and collagen binding.
J.Biol.Chem., 280, 2005
6S41
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CRYSTAL STRUCTURE OF PXR IN COMPLEX WITH XPC-7455
分子名称: 4-[[(1~{S})-1-[2,5-bis(fluoranyl)phenyl]ethyl]amino]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide, Nuclear receptor subfamily 1 group I member 2
著者Focken, T, Maskos, K, Griessner, A, Krapp, S.
登録日2019-06-26
公開日2019-10-02
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Identification of CNS-Penetrant Aryl Sulfonamides as Isoform-Selective NaV1.6 Inhibitors with Efficacy in Mouse Models of Epilepsy.
J.Med.Chem., 62, 2019
1BR9
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HUMAN TISSUE INHIBITOR OF METALLOPROTEINASE-2
分子名称: METALLOPROTEINASE-2 INHIBITOR
著者Tuuttila, A, Morgunova, E, Bergmann, U, Lindqvist, Y, Tryggvason, K, Schneider, G.
登録日1998-08-28
公開日1999-05-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Three-dimensional structure of human tissue inhibitor of metalloproteinases-2 at 2.1 A resolution.
J.Mol.Biol., 284, 1998
1TMQ
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STRUCTURE OF TENEBRIO MOLITOR LARVAL ALPHA-AMYLASE IN COMPLEX WITH RAGI BIFUNCTIONAL INHIBITOR
分子名称: CALCIUM ION, CHLORIDE ION, PROTEIN (ALPHA-AMYLASE), ...
著者Gomis-Rueth, F.X, Strobl, S, Glockshuber, R.
登録日1998-01-13
公開日1999-03-02
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A novel strategy for inhibition of alpha-amylases: yellow meal worm alpha-amylase in complex with the Ragi bifunctional inhibitor at 2.5 A resolution.
Structure, 6, 1998
1FQ3
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CRYSTAL STRUCTURE OF HUMAN GRANZYME B
分子名称: GRANZYME B, SULFATE ION, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Estebanez-Perpina, E, Fuentes-Prior, P, Belorgey, D, Rubin, H, Bode, W.
登録日2000-09-03
公開日2001-01-31
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structure of the caspase activator human granzyme B, a proteinase highly specific for an Asp-P1 residue.
Biol.Chem., 381, 2000
4L52
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Crystal Structure of 1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}piperidin-1-yl)ethan-1-one bound to TAK1-TAB1
分子名称: 1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}piperidin-1-yl)ethanone, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera
著者Wang, J, Hornberger, K.R, Crew, A.P, Jestel, A, Maskos, K, Moertl, M.
登録日2013-06-10
公開日2013-07-03
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Discovery and optimization of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1.
Bioorg.Med.Chem.Lett., 23, 2013
4L3P
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Crystal Structure of 2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[2,3-c]pyridin-7-amine bound to TAK1-TAB1
分子名称: 2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[2,3-c]pyridin-7-amine, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera
著者Wang, J, Hornberger, K.R, Crew, A.P, Steinbacher, S, Maskos, K, Moertl, M.
登録日2013-06-06
公開日2013-06-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Discovery and optimization of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1.
Bioorg.Med.Chem.Lett., 23, 2013
6VN2
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USP7 IN COMPLEX WITH LIGAND COMPOUND 18
分子名称: 1-({7-[(2R)-5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl}methyl)-1H-pyrrole-2,5-dione, ACETATE ION, Ubiquitin carboxyl-terminal hydrolase 7
著者Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M.
登録日2020-01-29
公開日2020-04-29
最終更新日2020-06-17
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020

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