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1GJT
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BU of 1gjt by Molmil
Solution structure of the Albumin binding domain of Streptococcal Protein G
分子名称: IMMUNOGLOBULIN G BINDING PROTEIN G
著者Johansson, M.U, Frick, I.M, Nilsson, H, Kraulis, P.J, Hober, S, Jonasson, P, Nygren, A.P, Uhlen, M, Bjorck, L, Drakenberg, T, Forsen, S, Wikstrom, M.
登録日2001-08-02
公開日2001-08-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure, Specificity, and Mode of Interaction for Bacterial Albumin-Binding Modules
J.Biol.Chem., 277, 2002
3COG
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BU of 3cog by Molmil
Crystal structure of human cystathionase (Cystathionine gamma lyase) in complex with DL-propargylglycine
分子名称: (2S)-2-aminopent-4-enoic acid, Cystathionine gamma-lyase, DI(HYDROXYETHYL)ETHER, ...
著者Collins, R, Karlberg, T, Lehtio, L, Arrowsmith, C.H, Berglund, H, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Olesen, K, Persson, C, Schuler, H, Svensson, L, Thorsell, A.G, Tresaugues, L, Van den Berg, S, Sagermark, J, Busam, R.D, Welin, M, Weigelt, J, Wikstrom, M, Structural Genomics Consortium (SGC)
登録日2008-03-28
公開日2008-05-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for the inhibition mechanism of human cystathionine gamma-lyase, an enzyme responsible for the production of H(2)S.
J.Biol.Chem., 284, 2009
8Q6A
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BU of 8q6a by Molmil
The RSL-D32N - sulfonato-calix[8]arene complex, I213 form, citrate pH 4.0
分子名称: Fucose-binding lectin protein, GLYCEROL, beta-D-fructopyranose, ...
著者Flood, R.J, Crowley, P.B.
登録日2023-08-11
公開日2024-03-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Supramolecular Synthons in Protein-Ligand Frameworks.
Cryst.Growth Des., 24, 2024
4E4K
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BU of 4e4k by Molmil
Crystal Structure of PPARgamma with the ligand JO21
分子名称: (2S)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid, Peroxisome proliferator-activated receptor gamma
著者Pochetti, G, Montanari, R, Loiodice, F, Fracchiolla, G, Laghezza, A, Carbonara, G, Piemontese, L, Lavecchia, A, Novellino, E.
登録日2012-03-13
公開日2013-01-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献New 2-(Aryloxy)-3-phenylpropanoic Acids as Peroxisome Proliferator-Activated Receptor alpha/gamma Dual Agonists Able To Upregulate Mitochondrial Carnitine Shuttle System Gene Expression.
J.Med.Chem., 56, 2013
4E4Q
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BU of 4e4q by Molmil
Crystal structure of PPARgamma with the ligand FS214
分子名称: (2R)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid, Peroxisome proliferator-activated receptor gamma
著者Pochetti, G, Montanari, R, Loiodice, F, Fracchiolla, G, Laghezza, A, Carbonara, G, Piemontese, L, Lavecchia, A, Novellino, E.
登録日2012-03-13
公開日2013-01-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献New 2-(Aryloxy)-3-phenylpropanoic Acids as Peroxisome Proliferator-Activated Receptor alpha/gamma Dual Agonists Able To Upregulate Mitochondrial Carnitine Shuttle System Gene Expression.
J.Med.Chem., 56, 2013
3BG8
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BU of 3bg8 by Molmil
Crystal structure of Factor XIa in complex with Clavatadine A
分子名称: BENZAMIDINE, Coagulation factor XIa light chain, N-(4-carbamimidamidobutyl)ethanamide, ...
著者Xue, Y, Oster, L.
登録日2007-11-26
公開日2008-12-09
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Clavatadine A, a natural product with selective recognition and irreversible inhibition of factor XIa.
J.Med.Chem., 51, 2008
5BUI
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BU of 5bui by Molmil
ERK2 complexed with 2-pyridiyl tetrahydroazaindazole
分子名称: 3-(4-fluorophenyl)-5-(pyridin-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine, Mitogen-activated protein kinase 1, NICKEL (II) ION
著者Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T.
登録日2015-06-03
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
3GEY
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BU of 3gey by Molmil
Crystal structure of human poly(ADP-ribose) polymerase 15, catalytic fragment in complex with an inhibitor Pj34
分子名称: N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, Poly [ADP-ribose] polymerase 15
著者Karlberg, T, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Schutz, P, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC)
登録日2009-02-26
公開日2009-03-24
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis for Lack of ADP-ribosyltransferase Activity in Poly(ADP-ribose) Polymerase-13/Zinc Finger Antiviral Protein.
J.Biol.Chem., 290, 2015
3TR2
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BU of 3tr2 by Molmil
Structure of a orotidine 5'-phosphate decarboxylase (pyrF) from Coxiella burnetii
分子名称: Orotidine 5'-phosphate decarboxylase
著者Cheung, J, Franklin, M, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
登録日2011-09-09
公開日2011-09-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
2CL3
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BU of 2cl3 by Molmil
Crystal structure of human Cleavage and Polyadenylation Specificity Factor 5 (CPSF5)
分子名称: CLEAVAGE AND POLYADENYLATION SPECIFICITY FACTOR 5
著者Stenmark, P, Hogbom, M, Arrowsmith, C, Berglund, H, Collins, R, Edwards, A, Ehn, M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg Schiavone, L, Kotenyova, T, Magnusdottir, A, Nilsson-Ehle, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Wallden, K, Weigelt, J, Nordlund, P.
登録日2006-04-25
公開日2006-05-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Crystal Structure of Human Cleavage and Polyadenylation Specific Factor-5 Reveals a Dimeric Nudix Protein with a Conserved Catalytic Site.
Proteins, 73, 2008
1KSJ
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BU of 1ksj by Molmil
Complex of Arl2 and PDE delta, Crystal Form 2 (SeMet)
分子名称: BETA-MERCAPTOETHANOL, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Hanzal-Bayer, M, Renault, L, Roversi, P, Wittinghofer, A, Hillig, R.C.
登録日2002-01-13
公開日2002-05-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The complex of Arl2-GTP and PDE delta: from structure to function
EMBO J., 21, 2002
5BUE
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BU of 5bue by Molmil
ERK2 complexed with N-benzylpyridone tetrahydroazaindazole
分子名称: 1-benzyl-4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1, NICKEL (II) ION
著者Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T.
登録日2015-06-03
公開日2015-07-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
5BUJ
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BU of 5buj by Molmil
ERK2 complexed with a N-H tetrahydroazaindazole
分子名称: 4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1
著者Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T.
登録日2015-06-03
公開日2015-07-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
3TQZ
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BU of 3tqz by Molmil
Structure of a deoxyuridine 5'-triphosphate nucleotidohydrolase (dut) from Coxiella burnetii
分子名称: Deoxyuridine 5'-triphosphate nucleotidohydrolase, SULFATE ION
著者Cheung, J, Franklin, M, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
登録日2011-09-09
公開日2011-09-21
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
6HHI
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BU of 6hhi by Molmil
Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 30b
分子名称: RAC-alpha serine/threonine-protein kinase, ~{N}-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-3-(propanoylamino)benzamide
著者Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D.
登録日2018-08-28
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt.
Chem Sci, 10, 2019
2X5Y
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BU of 2x5y by Molmil
Human ZC3HAV1 (ARTD13), C-terminal domain
分子名称: ZINC FINGER CCCH-TYPE ANTIVIRAL PROTEIN 1
著者Karlberg, T, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Kotenyova, T, Kraulis, P, Moche, M, Nordlund, P, Nyman, T, Persson, C, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H.
登録日2010-02-11
公開日2010-03-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Structural Basis for Lack of Adp-Ribosyltransferase Activity in Poly(Adp-Ribose) Polymerase-13/Zinc Finger Antiviral Protein.
J.Biol.Chem., 290, 2015
3TR0
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BU of 3tr0 by Molmil
Structure of guanylate kinase (gmk) from Coxiella burnetii
分子名称: GUANOSINE-5'-MONOPHOSPHATE, Guanylate kinase, SULFATE ION
著者Cheung, J, Franklin, M, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
登録日2011-09-09
公開日2011-09-21
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.851 Å)
主引用文献Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
2PBH
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BU of 2pbh by Molmil
CRYSTAL STRUCTURE OF HUMAN PROCATHEPSIN B AT 3.3 ANGSTROM RESOLUTION
分子名称: PROCATHEPSIN B
著者Podobnik, M, Turk, D, Kuhelj, R, Turk, V.
登録日1997-02-14
公開日1998-02-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Crystal structures of human procathepsin B at 3.2 and 3.3 Angstroms resolution reveal an interaction motif between a papain-like cysteine protease and its propeptide.
FEBS Lett., 384, 1996
3TRF
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BU of 3trf by Molmil
Structure of a shikimate kinase (aroK) from Coxiella burnetii
分子名称: SULFATE ION, Shikimate kinase
著者Cheung, J, Franklin, M, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
登録日2011-09-09
公開日2011-09-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
2R55
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BU of 2r55 by Molmil
Human StAR-related lipid transfer protein 5
分子名称: StAR-related lipid transfer protein 5
著者Lehtio, L, Busam, R.D, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Herman, M.D, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Sagemark, J, Sundstrom, M, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Persson, C, Structural Genomics Consortium (SGC)
登録日2007-09-03
公開日2007-09-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Comparative structural analysis of lipid binding START domains.
Plos One, 6, 2011
7UQ2
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BU of 7uq2 by Molmil
Vs.4 from T4 phage in complex with cGAMP
分子名称: 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, CALCIUM ION, Vs.4
著者Jenson, J.M, Chen, Z.J.
登録日2022-04-18
公開日2023-02-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Ubiquitin-like conjugation by bacterial cGAS enhances anti-phage defence.
Nature, 616, 2023
2M4Z
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BU of 2m4z by Molmil
Analysis of the structural and molecular basis of voltage-sensitive sodium channel inhibition by the spider toxin, Huwentoxin-IV (-TRTX-Hh2a).
分子名称: Mu-theraphotoxin-Hh2a
著者Gibbs, A.
登録日2013-02-12
公開日2013-06-19
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Analysis of the Structural and Molecular Basis of Voltage-sensitive Sodium Channel Inhibition by the Spider Toxin Huwentoxin-IV ( mu-TRTX-Hh2a).
J.Biol.Chem., 288, 2013
2N2X
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Solution structure of [GlyB24,B27-B29 triazole cross-linked]-insulin analogue at pH 1.9
分子名称: Insulin A chain, Insulin B chain
著者Veverka, V, Hexnerova, R, Jiracek, J.
登録日2015-05-15
公開日2016-02-03
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Rational steering of insulin binding specificity by intra-chain chemical crosslinking.
Sci Rep, 6, 2016
2N2W
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BU of 2n2w by Molmil
Solution structure of [B26-B29 triazole cross-linked]-insulin analogue at pH 8.0
分子名称: Insulin A chain, Insulin B chain
著者Veverka, V, Hexnerova, R, Jiracek, J.
登録日2015-05-15
公開日2016-02-03
実験手法SOLUTION NMR
主引用文献Rational steering of insulin binding specificity by intra-chain chemical crosslinking.
Sci Rep, 6, 2016
4HGG
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BU of 4hgg by Molmil
Crystal structure of P450 BM3 5F5R heme domain variant complexed with styrene
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450/NADPH-P450 reductase, GLYCEROL, ...
著者Shehzad, A, Panneerselvam, S, Bocola, M, Mueller-Dieckmann, J, Wilmanns, M, Schwaneberg, U.
登録日2012-10-08
公開日2013-05-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献P450 BM3 crystal structures reveal the role of the charged surface residue Lys/Arg184 in inversion of enantioselective styrene epoxidation.
Chem.Commun.(Camb.), 49, 2013

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