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3EED
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BU of 3eed by Molmil
Crystal structure of human protein kinase CK2 regulatory subunit (CK2beta; mutant 1-193)
Descriptor: Casein kinase II subunit beta, SULFATE ION, ZINC ION
Authors:Niefind, K, Raaf, J, Issinger, O.-G.
Deposit date:2008-09-04
Release date:2008-09-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The interaction of CK2{alpha} and CK2{beta}, the subunits of protein kinase CK2, requires CK2{beta} in a preformed conformation and is enthalpically driven
Protein Sci., 17, 2008
1J02
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BU of 1j02 by Molmil
Crystal Structure of Rat Heme Oxygenase-1-Heme Bound to NO
Descriptor: HEME OXYGENASE 1, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sugishima, M, Fukuyama, K.
Deposit date:2002-10-28
Release date:2003-09-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structures of Ferrous and CO-, CN(-)-, and NO-Bound Forms of Rat Heme Oxygenase-1 (HO-1) in Complex with Heme: Structural Implications for Discrimination between CO and O(2) in HO-1.
Biochemistry, 42, 2003
1J1C
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BU of 1j1c by Molmil
Binary complex structure of human tau protein kinase I with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Glycogen synthase kinase-3 beta, MAGNESIUM ION
Authors:Aoki, M, Yokota, T, Sugiura, I, Sasaki, C, Hasegawa, T, Okumura, C, Kohno, T, Sugio, S, Matsuzaki, T.
Deposit date:2002-12-03
Release date:2003-12-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insight into nucleotide recognition in tau-protein kinase I/glycogen synthase kinase 3 beta.
Acta Crystallogr.,Sect.D, 60, 2004
3F06
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BU of 3f06 by Molmil
Crystal Structure Analysis of Human HDAC8 D101A Variant.
Descriptor: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, BETA-MERCAPTOETHANOL, Histone deacetylase 8, ...
Authors:Dowling, D.P, Gantt, S.L, Gattis, S.G, Fierke, C.A, Christianson, D.W.
Deposit date:2008-10-24
Release date:2008-12-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural studies of human histone deacetylase 8 and its site-specific variants complexed with substrate and inhibitors.
Biochemistry, 47, 2008
3EZT
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BU of 3ezt by Molmil
Crystal Structure Analysis of Human HDAC8 D101E Variant
Descriptor: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, BETA-MERCAPTOETHANOL, Histone deacetylase 8, ...
Authors:Dowling, D.P, Gantt, S.L, Gattis, S.G, Fierke, C.A, Christianson, D.W.
Deposit date:2008-10-23
Release date:2008-12-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural studies of human histone deacetylase 8 and its site-specific variants complexed with substrate and inhibitors.
Biochemistry, 47, 2008
1IRM
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BU of 1irm by Molmil
Crystal structure of apo heme oxygenase-1
Descriptor: apo heme oxygenase-1
Authors:Sugishima, M, Sakamoto, H, Kakuta, Y, Omata, Y, Hayashi, S, Noguchi, M, Fukuyama, K.
Deposit date:2001-10-09
Release date:2002-07-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of rat apo-heme oxygenase-1 (HO-1): mechanism of heme binding in HO-1 inferred from structural comparison of the apo and heme complex forms
Biochemistry, 41, 2002
3EZR
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BU of 3ezr by Molmil
CDK-2 with indazole inhibitor 17 bound at its active site
Descriptor: 3-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline, Cell division protein kinase 2
Authors:Kiefer, J.R, Day, J.E, Caspers, N.L, Mathis, K.J, Kretzmer, K.K, Weinberg, R.A, Reitz, B.A, Stegeman, R.A, Trujillo, J.I, Huang, W, Thorarensen, A, Xing, L, Wrightstone, A, Christine, L, Compton, R, Li, X.
Deposit date:2008-10-23
Release date:2009-02-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:2-(6-Phenyl-1H-indazol-3-yl)-1H-benzo[d]imidazoles: Design and synthesis of a potent and isoform selective PKC-zeta inhibitor
Bioorg.Med.Chem.Lett., 19, 2009
3EZP
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BU of 3ezp by Molmil
Crystal Structure Analysis of human HDAC8 D101N variant
Descriptor: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, BETA-MERCAPTOETHANOL, Histone deacetylase 8, ...
Authors:Dowling, D.P, Gantt, S.L, Gattis, S.G, Fierke, C.A, Christianson, D.W.
Deposit date:2008-10-23
Release date:2008-12-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural studies of human histone deacetylase 8 and its site-specific variants complexed with substrate and inhibitors.
Biochemistry, 47, 2008
3DXK
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BU of 3dxk by Molmil
Structure of Bos Taurus Arp2/3 Complex with Bound Inhibitor CK0944636
Descriptor: Actin-related protein 2, Actin-related protein 2/3 complex subunit 1B, Actin-related protein 2/3 complex subunit 2, ...
Authors:Nolen, B.J, Tomasevic, N, Russell, A, Pierce, D.W, Jia, Z, Hartman, J, Sakowicz, R, Pollard, T.D.
Deposit date:2008-07-24
Release date:2009-07-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Characterization of two classes of small molecule inhibitors of Arp2/3 complex
Nature, 460, 2009
1H00
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BU of 1h00 by Molmil
CDK2 in complex with a disubstituted 4, 6-bis anilino pyrimidine CDK4 inhibitor
Descriptor: (2R)-1-[4-({6-[(2,6-DIFLUOROPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL, (2S)-1-[4-({6-[(2,6-DIFLUOROPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL, CELL DIVISION PROTEIN KINASE 2
Authors:Beattie, J.F, Breault, G.A, Ellston, R.P.A, Green, S, Jewsbury, P.J, Midgley, C.J, Naven, R.T, Minshull, C.A, Pauptit, R.A, Tucker, J.A, Pease, J.E.
Deposit date:2002-06-10
Release date:2003-07-11
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Cyclin-Dependent Kinase 4 Inhibitors as a Treatment for Cancer. Part 1: Identification and Optimisation of Substituted 4,6-Bis Anilino Pyrimidines
Bioorg.Med.Chem.Lett., 13, 2003
3DTB
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BU of 3dtb by Molmil
The structure of rat cytosolic PEPCK in complex with phosphoglycolate and GDP
Descriptor: 2-PHOSPHOGLYCOLIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BICARBONATE ION, ...
Authors:Sullivan, S.M, Holyoak, T.
Deposit date:2008-07-14
Release date:2008-08-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Enzymes with lid-gated active sites must operate by an induced fit mechanism instead of conformational selection.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3F5X
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BU of 3f5x by Molmil
CDK-2-Cyclin complex with indazole inhibitor 9 bound at its active site
Descriptor: 4-{3-[7-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline, Cell division protein kinase 2, Cyclin-A2, ...
Authors:Kiefer, J.R, Day, J.E, Caspers, N.L, Mathis, K.J, Kretzmer, K.K, Weinberg, R.A, Reitz, B.A, Stegeman, R.A, Trujillo, J.I, Huang, W, Thorarensen, A, Xing, L, Wrightstone, A, Christine, L, Compton, R, Li, X.
Deposit date:2008-11-04
Release date:2009-02-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:2-(6-Phenyl-1H-indazol-3-yl)-1H-benzo[d]imidazoles: Design and synthesis of a potent and isoform selective PKC-zeta inhibitor.
Bioorg.Med.Chem.Lett., 19, 2009
1K99
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BU of 1k99 by Molmil
Solution Structure of the first HMG box in human Upstream binding factor
Descriptor: Upstream binding factor 1
Authors:Xu, Y, Yang, W, Wu, J, Shi, Y.
Deposit date:2001-10-28
Release date:2001-11-14
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the first HMG box domain in human upstream binding factor.
Biochemistry, 41, 2002
3EZV
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BU of 3ezv by Molmil
CDK-2 with indazole inhibitor 9 bound at its active site
Descriptor: 4-{3-[7-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline, Cell division protein kinase 2
Authors:Kiefer, J.R, Day, J.E, Caspers, N.L, Mathis, K.J, Kretzmer, K.K, Weinberg, R.A, Reitz, B.A, Stegeman, R.A, Trujillo, J.I, Huang, W, Thorarensen, A, Xing, L, Wrightstone, A, Christine, L, Compton, R, Li, X.
Deposit date:2008-10-23
Release date:2009-02-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:2-(6-Phenyl-1H-indazol-3-yl)-1H-benzo[d]imidazoles: Design and synthesis of a potent and isoform selective PKC-zeta inhibitor
Bioorg.Med.Chem.Lett., 19, 2009
4BZD
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BU of 4bzd by Molmil
Structure of CDK2 in complex with a benzimidazopyrimidine
Descriptor: 6-(benzimidazol-1-yl)-N-[5-[3-(dimethylamino)propoxy]pyridin-2-yl]pyrimidin-4-amine, ACETATE ION, CYCLIN-DEPENDENT KINASE 2
Authors:Tucker, J.A, Valentine, A, Stanway, J, Brassington, C.
Deposit date:2013-07-25
Release date:2014-08-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structure of Cdk2 in Complex with a Benzimidazopyrimidine
To be Published
3CMY
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BU of 3cmy by Molmil
Structure of a homeodomain in complex with DNA
Descriptor: 1,2-ETHANEDIOL, 5'-D(*DAP*DCP*DAP*DTP*DAP*DAP*DP*DCP*DGP*DAP*DTP*DTP*DAP*DC)-3', 5'-D(*DTP*DGP*DTP*DAP*DAP*DTP*DCP*DGP*DAP*DTP*DTP*DAP*DTP*DG)-3', ...
Authors:Birrane, G, Ladias, J.A.A, Soni, A.
Deposit date:2008-03-24
Release date:2009-02-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Basis for DNA Recognition by the Human PAX3 Homeodomain.
Biochemistry, 48, 2009
1JPY
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BU of 1jpy by Molmil
Crystal structure of IL-17F
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Hymowitz, S.G, Filvaroff, E.H, Yin, J, Lee, J, Cai, L, Risser, P, Maruoka, M, Mao, W, Foster, J, Kelley, R, Pan, G, Gurney, A.L, de Vos, A.M, Starovasnik, M.A.
Deposit date:2001-08-03
Release date:2001-09-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:IL-17s adopt a cystine knot fold: structure and activity of a novel cytokine, IL-17F, and implications for receptor binding.
EMBO J., 20, 2001
1JSV
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BU of 1jsv by Molmil
The structure of cyclin-dependent kinase 2 (CDK2) in complex with 4-[(6-amino-4-pyrimidinyl)amino]benzenesulfonamide
Descriptor: 4-[(6-AMINO-4-PYRIMIDINYL)AMINO]BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2
Authors:Watenpaugh, K.D, Kelley, L.C.
Deposit date:2001-08-19
Release date:2001-08-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:The cyclin-dependent kinases cdk2 and cdk5 act by a random, anticooperative kinetic mechanism
J.Biol.Chem., 276, 2001
1JT4
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BU of 1jt4 by Molmil
Human Acidic Fibroblast Growth Factor. 141 Amino Acid Form with Amino Terminal His Tag AND VAL 109 REPLACED BY LEU (V109L)
Descriptor: FORMIC ACID, acidic fibroblast growth factor
Authors:Brych, S.R, Blaber, S.I, Logan, T.M, Blaber, M.
Deposit date:2001-08-20
Release date:2001-12-19
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structure and stability effects of mutations designed to increase the primary sequence symmetry within the core region of a beta-trefoil.
Protein Sci., 10, 2001
1JT7
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BU of 1jt7 by Molmil
Human Acidic Fibroblast Growth Factor. 141 Amino Acid Form with Amino Terminal His Tag AND LEU 44 REPLACED BY PHE AND LEU 73 REPLACED BY VAL AND VAL 109 REPLACED BY LEU (L44F/L73V/V109L)
Descriptor: FORMIC ACID, SULFATE ION, acidic fibroblast growth factor
Authors:Brych, S.R, Blaber, S.I, Logan, T.M, Blaber, M.
Deposit date:2001-08-20
Release date:2001-12-19
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and stability effects of mutations designed to increase the primary sequence symmetry within the core region of a beta-trefoil.
Protein Sci., 10, 2001
1I8G
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BU of 1i8g by Molmil
SOLUTION STRUCTURE OF PIN1 WW DOMAIN COMPLEXED WITH CDC25 PHOSPHOTHREONINE PEPTIDE
Descriptor: M-PHASE INDUCER PHOSPHATASE 3, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1
Authors:Wintjens, R, Wieruszeski, J.-M, Drobecq, H, Lippens, G, Landrieu, I.
Deposit date:2001-03-14
Release date:2001-07-18
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:1H NMR study on the binding of Pin1 Trp-Trp domain with phosphothreonine peptides.
J.Biol.Chem., 276, 2001
3CLC
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BU of 3clc by Molmil
Crystal Structure of the Restriction-Modification Controller Protein C.Esp1396I Tetramer in Complex with its Natural 35 Base-Pair Operator
Descriptor: 35-MER, MAGNESIUM ION, Regulatory protein
Authors:McGeehan, J.E, Streeter, S.D, Thresh, S.J, Ball, N, Ravelli, R.B, Kneale, G.G.
Deposit date:2008-03-18
Release date:2008-07-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural analysis of the genetic switch that regulates the expression of restriction-modification genes.
Nucleic Acids Res., 36, 2008
1IC8
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BU of 1ic8 by Molmil
HEPATOCYTE NUCLEAR FACTOR 1A BOUND TO DNA : MODY3 GENE PRODUCT
Descriptor: 5'-D(*CP*TP*TP*GP*GP*TP*TP*AP*AP*TP*AP*AP*TP*TP*CP*AP*CP*CP*AP*GP*A)-3', 5'-D(*TP*CP*TP*GP*GP*TP*GP*AP*AP*TP*TP*AP*TP*TP*AP*AP*CP*CP*AP*AP*G)-3', HEPATOCYTE NUCLEAR FACTOR 1-ALPHA
Authors:Chi, Y.-I, Frantz, J.D, Oh, B.-C, Hansen, L, Dhe-Paganon, S, Shoelson, S.E.
Deposit date:2001-03-30
Release date:2002-11-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Diabetes mutations delineate an atypical POU domains in HNF1-Alpha
Mol.Cell, 10, 2002
1I8H
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BU of 1i8h by Molmil
SOLUTION STRUCTURE OF PIN1 WW DOMAIN COMPLEXED WITH HUMAN TAU PHOSPHOTHREONINE PEPTIDE
Descriptor: MICROTUBULE-ASSOCIATED PROTEIN TAU, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1
Authors:Wintjens, R, Wieruszeski, J.-M, Drobecq, H, Lippens, G, Landrieu, I.
Deposit date:2001-03-14
Release date:2001-07-18
Last modified:2021-10-27
Method:SOLUTION NMR
Cite:1H NMR study on the binding of Pin1 Trp-Trp domain with phosphothreonine peptides.
J.Biol.Chem., 276, 2001
1I6C
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SOLUTION STRUCTURE OF PIN1 WW DOMAIN
Descriptor: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1
Authors:Wintjens, R, Wieruszeski, J.-M, Drobecq, H, Lippens, G, Landrieu, I.
Deposit date:2001-03-02
Release date:2001-07-18
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:1H NMR study on the binding of Pin1 Trp-Trp domain with phosphothreonine peptides.
J.Biol.Chem., 276, 2001

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