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9ESK
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BU of 9esk by Molmil
CDK2-cyclin A in complex with FragLite 30
Descriptor: (4-bromo-2-oxopyridin-1(2H)-yl)acetic acid, Cyclin-A2, Cyclin-dependent kinase 2
Authors:Hope, I, Martin, M.P, Waring, M.J, Noble, M.E.M, Endicott, J.A, Tatum, N.J.
Deposit date:2024-03-26
Release date:2025-04-09
Method:X-RAY DIFFRACTION (2.398 Å)
Cite:Crystallographic fragment screening of CDK2-cyclin A: FragLites map sites of protein-protein interaction
To Be Published
9ESW
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BU of 9esw by Molmil
CDK2-cyclin A in complex with FragLite 18
Descriptor: (4-bromanylpyridin-2-yl)methanol, Cyclin-A2, Cyclin-dependent kinase 2
Authors:Hope, I, Martin, M.P, Waring, M.J, Noble, M.E.M, Endicott, J.A, Tatum, N.J.
Deposit date:2024-03-26
Release date:2025-04-09
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Crystallographic fragment screening of CDK2-cyclin A: FragLites map sites of protein-protein interaction
To Be Published
9ET2
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BU of 9et2 by Molmil
CDK2-cyclin A in complex with FragLite 11
Descriptor: Cyclin-A2, Cyclin-dependent kinase 2, ~{N}-(4-bromophenyl)ethanamide
Authors:Hope, I, Martin, M.P, Waring, M.J, Noble, M.E.M, Endicott, J.A, Tatum, N.J.
Deposit date:2024-03-26
Release date:2025-04-09
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Crystallographic fragment screening of CDK2-cyclin A: FragLites map sites of protein-protein interaction
To Be Published
9ET8
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BU of 9et8 by Molmil
CDK2-cyclin A in complex with FragLite 5
Descriptor: 4-iodanylpyridin-2-amine, Cyclin-A2, Cyclin-dependent kinase 2
Authors:Hope, I, Martin, M.P, Waring, M.J, Noble, M.E.M, Endicott, J.A, Tatum, N.J.
Deposit date:2024-03-26
Release date:2025-04-09
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Crystallographic fragment screening of CDK2-cyclin A: FragLites map sites of protein-protein interaction
To Be Published
9ESL
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BU of 9esl by Molmil
CDK2-cyclin A in complex with FragLite 29
Descriptor: 4-bromanyl-1-(2-methoxyethyl)pyridin-2-one, Cyclin-A2, Cyclin-dependent kinase 2
Authors:Hope, I, Martin, M.P, Waring, M.J, Noble, M.E.M, Endicott, J.A, Tatum, N.J.
Deposit date:2024-03-26
Release date:2025-04-09
Method:X-RAY DIFFRACTION (2.392 Å)
Cite:Crystallographic fragment screening of CDK2-cyclin A: FragLites map sites of protein-protein interaction
To Be Published
9ESS
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BU of 9ess by Molmil
CDK2-cyclin A in complex with FragLite 22
Descriptor: (4-bromo-2-methoxyphenyl)methanol, Cyclin-A2, Cyclin-dependent kinase 2
Authors:Hope, I, Martin, M.P, Waring, M.J, Noble, M.E.M, Endicott, J.A, Tatum, N.J.
Deposit date:2024-03-26
Release date:2025-04-09
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Crystallographic fragment screening of CDK2-cyclin A: FragLites map sites of protein-protein interaction
To Be Published
9ET6
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BU of 9et6 by Molmil
CDK2-cyclin A in complex with FragLite 7
Descriptor: 4-iodanyl-3~{H}-pyridin-2-one, Cyclin-A2, Cyclin-dependent kinase 2
Authors:Hope, I, Martin, M.P, Waring, M.J, Noble, M.E.M, Endicott, J.A, Tatum, N.J.
Deposit date:2024-03-26
Release date:2025-04-09
Method:X-RAY DIFFRACTION (2.553 Å)
Cite:Crystallographic fragment screening of CDK2-cyclin A: FragLites map sites of protein-protein interaction
To Be Published
6OE5
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BU of 6oe5 by Molmil
Splayed open prefusion RSV F captured by CR9501 and motavizumab Fabs
Descriptor: CR9501 Fab Heavy Chain, CR9501 Fab Light Chain, Fusion glycoprotein F0,Fibritin, ...
Authors:Gilman, M.S.A, McLellan, J.S.
Deposit date:2019-03-27
Release date:2019-04-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Transient opening of trimeric prefusion RSV F proteins.
Nat Commun, 10, 2019
6OUS
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BU of 6ous by Molmil
Structure of fusion glycoprotein from human respiratory syncytial virus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F1 fused with Fibritin trimerization domain, Fusion glycoprotein F2, ...
Authors:Su, H.P.
Deposit date:2019-05-05
Release date:2019-10-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:A potent broadly neutralizing human RSV antibody targets conserved site IV of the fusion glycoprotein.
Nat Commun, 10, 2019
6OE4
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BU of 6oe4 by Molmil
Prefusion RSV F monomer bound by neutralizing antibody CR9501
Descriptor: 1,2-ETHANEDIOL, CR9501 Fab Heavy Chain, CR9501 Fab Light Chain, ...
Authors:McLellan, J.S, Gilman, M.S.A.
Deposit date:2019-03-27
Release date:2019-04-17
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Transient opening of trimeric prefusion RSV F proteins.
Nat Commun, 10, 2019
3DDQ
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BU of 3ddq by Molmil
Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor roscovitine
Descriptor: Cell division protein kinase 2, Cyclin-A2, MONOTHIOGLYCEROL, ...
Authors:Echalier, A, Endicott, J.A.
Deposit date:2008-06-06
Release date:2008-07-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:CR8, a potent and selective, roscovitine-derived inhibitor of cyclin-dependent kinases.
Oncogene, 27, 2008
6PFY
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BU of 6pfy by Molmil
Membrane Protein Megahertz Crystallography at the European XFEL, Photosystem I at synchrotron to 2.9 A
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Fromme, R.
Deposit date:2019-06-23
Release date:2019-11-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Membrane protein megahertz crystallography at the European XFEL.
Nat Commun, 10, 2019
3DOG
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BU of 3dog by Molmil
Structure of Thr 160 phosphorylated CDK2/cyclin A in complex with the inhibitor N-&-N1
Descriptor: (2R)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol, Cell division protein kinase 2, Cyclin-A2, ...
Authors:Echalier, A, Endicott, J.
Deposit date:2008-07-04
Release date:2008-09-30
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:N-&-N, a new class of cell death-inducing kinase inhibitors derived from the purine roscovitine.
Mol.Cancer Ther., 7, 2008
3EID
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BU of 3eid by Molmil
CDK2/CyclinA complexed with a pyrazolopyridazine inhibitor
Descriptor: (2S)-1-(dimethylamino)-3-(4-{[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino}phenoxy)propan-2-ol, Cell division protein kinase 2, Cyclin-A2
Authors:Steven, K, Reno, M, Alberti, J, Price, D, Kane-Carson, L, Knick, V, Shewchuk, L, Hassell, A, Veal, J, Peel, M.
Deposit date:2008-09-15
Release date:2008-10-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Synthesis and evaluation of pyrazolo[1,5-b]pyridazines as selective cyclin dependent kinase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
4ZYP
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BU of 4zyp by Molmil
Crystal Structure of Motavizumab and Quaternary-Specific RSV-Neutralizing Human Antibody AM14 in Complex with Prefusion RSV F Glycoprotein
Descriptor: AM14 antibody Fab heavy chain, AM14 antibody light chain, Fusion glycoprotein F0,Fibritin, ...
Authors:Gilman, M.S.A, McLellan, J.S.
Deposit date:2015-05-21
Release date:2015-07-29
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (5.5 Å)
Cite:Characterization of a Prefusion-Specific Antibody That Recognizes a Quaternary, Cleavage-Dependent Epitope on the RSV Fusion Glycoprotein.
Plos Pathog., 11, 2015
5B6M
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BU of 5b6m by Molmil
Crystal structure of human peroxiredoxin 6 in reduced state
Descriptor: Peroxiredoxin-6
Authors:Kim, K.H, Lee, W.T, Kim, E.E.
Deposit date:2016-05-30
Release date:2016-07-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.496 Å)
Cite:Crystal structures of human peroxiredoxin 6 in different oxidation states
Biochem.Biophys.Res.Commun., 477, 2016
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
3DDP
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BU of 3ddp by Molmil
Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor CR8
Descriptor: (2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol, Cell division protein kinase 2, Cyclin-A2
Authors:Echalier, A, Endicott, J.A.
Deposit date:2008-06-06
Release date:2008-07-22
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:CR8, a potent and selective, roscovitine-derived inhibitor of cyclin-dependent kinases.
Oncogene, 27, 2008
3EJ1
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BU of 3ej1 by Molmil
CDK2/CyclinA complexed with a pyrazolopyridazine inhibitor
Descriptor: Cell division protein kinase 2, Cyclin-A2, N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
Authors:Stevens, K, Reno, M, Alberti, J, Price, D, Kane-Carson, L, Knick, V, Shewchuk, L, Hassell, A, Veal, J, Peel, M.
Deposit date:2008-09-17
Release date:2008-10-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:Synthesis and evaluation of pyrazolo[1,5-b]pyridazines as selective cyclin dependent kinase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
5B6N
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BU of 5b6n by Molmil
Crystal structures of human peroxiredoxin 6 in sulfinic acid state
Descriptor: Peroxiredoxin-6
Authors:Kim, K.H, Lee, W.T, Kim, E.E.
Deposit date:2016-05-30
Release date:2016-07-13
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.895 Å)
Cite:Crystal structures of human peroxiredoxin 6 in different oxidation states
Biochem.Biophys.Res.Commun., 477, 2016
3EOC
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BU of 3eoc by Molmil
Cdk2/CyclinA complexed with a imidazo triazin-2-amine
Descriptor: 5-methyl-7-phenyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine, Cell division protein kinase 2, Cyclin-A2
Authors:Cheung, M, Kuntz, K, Pobanz, M, Salovich, J, Wilson, B, Andrews, W, Shewchuk, L, Epperly, A, Hassler, D, Leesnitzer, M, Smith, J, Smith, G, Lansing, T, Mook, R.
Deposit date:2008-09-26
Release date:2008-11-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Imidazo[5,1-f][1,2,4]triazin-2-amines as novel inhibitors of polo-like kinase 1.
Bioorg.Med.Chem.Lett., 18, 2008
5CYI
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BU of 5cyi by Molmil
CDK2/Cyclin A covalent complex with 6-(cyclohexylmethoxy)-N-(4-(vinylsulfonyl)phenyl)-9H-purin-2-amine (NU6300)
Descriptor: 6-(cyclohexylmethoxy)-N-[4-(ethylsulfonyl)phenyl]-9H-purin-2-amine, Cyclin-A2, Cyclin-dependent kinase 2
Authors:Anscombe, E, Meschini, E, Vidal, R.M, Martin, M.P, Staunton, D, Geitmann, M, Danielson, U.H, Stanley, W.A, Wang, L.Z, Reuillon, T, Golding, B.T, Cano, C, Newell, D.R, Noble, M.E.M, Wedge, S.R, Endicott, J.A, Griffin, R.J.
Deposit date:2015-07-30
Release date:2015-09-16
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification and Characterization of an Irreversible Inhibitor of CDK2.
Chem.Biol., 22, 2015
6PZK
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BU of 6pzk by Molmil
Cryo-EM Structure of the Respiratory Syncytial Virus Polymerase (L) Protein Bound by the Tetrameric Phosphoprotein (P)
Descriptor: Phosphoprotein, RNA-directed RNA polymerase L
Authors:Gilman, M.S.A, McLellan, J.S.
Deposit date:2019-08-01
Release date:2019-09-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of the Respiratory Syncytial Virus Polymerase Complex.
Cell, 179, 2019
3QFD
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BU of 3qfd by Molmil
Human Class I MHC HLA-A2 in complex with Mart-1(27-35) nonameric peptide
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Borbulevych, O.Y, Baker, B.M.
Deposit date:2011-01-21
Release date:2011-09-28
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Loss of T Cell Antigen Recognition Arising from Changes in Peptide and Major Histocompatibility Complex Protein Flexibility: IMPLICATIONS FOR VACCINE DESIGN.
J.Biol.Chem., 286, 2011
2ABZ
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BU of 2abz by Molmil
Crystal structure of C19A/C43A mutant of leech carboxypeptidase inhibitor in complex with bovine carboxypeptidase A
Descriptor: Carboxypeptidase A1, Metallocarboxypeptidase inhibitor, ZINC ION
Authors:Arolas, J.L, Popowicz, G.M, Bronsoms, S, Aviles, F.X, Huber, R, Holak, T.A, Ventura, S.
Deposit date:2005-07-18
Release date:2006-01-31
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Study of a major intermediate in the oxidative folding of leech carboxypeptidase inhibitor: contribution of the fourth disulfide bond
J.Mol.Biol., 352, 2005

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