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2XPL
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BU of 2xpl by Molmil
Crystal structure of Iws1(Spn1) conserved domain from Encephalitozoon cuniculi
Descriptor: CHLORIDE ION, IWS1
Authors:Koch, M, Diebold, M.-L, Cura, V, Cavarelli, J, Romier, C.
Deposit date:2010-08-27
Release date:2010-11-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The Structure of an Iws1/Spt6 Complex Reveals an Interaction Domain Conserved in Tfiis, Elongin a and Med26
Embo J., 29, 2010
5JLX
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BU of 5jlx by Molmil
AntpHD with 15bp DNA duplex S-monothioated at Cytidine-8
Descriptor: DNA (5'-D(*AP*GP*AP*AP*AP*GP*CP*(C7S)P*AP*TP*TP*AP*GP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*CP*TP*AP*AP*TP*GP*GP*CP*TP*TP*TP*C)-3'), Homeotic protein antennapedia, ...
Authors:White, M.A, Zandarashvili, L, Iwahara, J, Nguyen, D.
Deposit date:2016-04-27
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.748 Å)
Cite:Stereospecific Effects of Oxygen-to-Sulfur Substitution in DNA Phosphate on Ion Pair Dynamics and Protein-DNA Affinity.
Chembiochem, 17, 2016
3FHI
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BU of 3fhi by Molmil
Crystal structure of a complex between the catalytic and regulatory (RI{alpha}) subunits of PKA
Descriptor: MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Kim, C.
Deposit date:2008-12-09
Release date:2009-04-14
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a complex between the catalytic and regulatory (RIalpha) subunits of PKA.
Science, 307, 2005
5JLW
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BU of 5jlw by Molmil
AntpHD with 15bp DNA duplex R-monothioated at Cytidine-8
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*AP*GP*AP*AP*AP*GP*CP*(C7R)P*AP*TP*TP*AP*GP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*CP*TP*AP*AP*TP*GP*GP*CP*TP*TP*TP*C)-3'), ...
Authors:White, M.A, Zandarashvili, L, Iwahara, J, Nguyen, D.
Deposit date:2016-04-27
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.088 Å)
Cite:Stereospecific Effects of Oxygen-to-Sulfur Substitution in DNA Phosphate on Ion Pair Dynamics and Protein-DNA Affinity.
Chembiochem, 17, 2016
3ACL
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BU of 3acl by Molmil
Crystal Structure of Human Pirin in complex with Triphenyl Compound
Descriptor: FE (II) ION, N-{[4-(benzyloxy)phenyl](methyl)-lambda~4~-sulfanylidene}-4-methylbenzenesulfonamide, Pirin
Authors:Okumura, H, Miyazaki, I, Simizu, S, Osada, H.
Deposit date:2010-01-05
Release date:2010-08-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:A small-molecule inhibitor shows that pirin regulates migration of melanoma cells
Nat.Chem.Biol., 6, 2010
1DM2
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BU of 1dm2 by Molmil
HUMAN CYCLIN-DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR HYMENIALDISINE
Descriptor: 1,2-ETHANEDIOL, 4-(5-AMINO-4-OXO-4H-PYRAZOL-3-YL)-2-BROMO-4,5,6,7-TETRAHYDRO-3AH-PYRROLO[2,3-C]AZEPIN-8-ONE, CYCLIN-DEPENDENT KINASE 2
Authors:Thunnissen, A.M, Kim, S.-H.
Deposit date:1999-12-13
Release date:2000-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inhibition of cyclin-dependent kinases, GSK-3beta and CK1 by hymenialdisine, a marine sponge constituent.
Chem.Biol., 7, 2000
3FXJ
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BU of 3fxj by Molmil
Crystal Structure of Human Protein phosphatase 1A (PPM1A) Bound with Phosphate at 3 mM of Mn2+
Descriptor: MANGANESE (II) ION, PHOSPHATE ION, Protein phosphatase 1A
Authors:Hu, T, Wang, L, Wang, K, Jiang, H, Shen, X.
Deposit date:2009-01-21
Release date:2010-01-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the Mn2+-dependent activation of human PPM1A
To be published
3FXK
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BU of 3fxk by Molmil
Crystal Structure of Human Protein phosphatase 1A (PPM1A) Bound with Phosphate at 10 mM of Mn2+
Descriptor: MANGANESE (II) ION, PHOSPHATE ION, Protein phosphatase 1A
Authors:Hu, T, Wang, L, Wang, K, Jiang, H, Shen, X.
Deposit date:2009-01-21
Release date:2010-01-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for the Mn2+-dependent activation of human PPM1A
To be published
4OX2
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BU of 4ox2 by Molmil
I45T cytosolic phosphoenolpyruvate carboxykinase in complex with beta-sulfopyruvate and GTP
Descriptor: 2-ETHOXYETHANOL, GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ...
Authors:Holyoak, T.
Deposit date:2014-02-04
Release date:2014-06-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Three rare diseases in one Sib pair: RAI1, PCK1, GRIN2B mutations associated with Smith-Magenis Syndrome, cytosolic PEPCK deficiency and NMDA receptor glutamate insensitivity.
Mol.Genet.Metab., 113, 2014
3FXL
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BU of 3fxl by Molmil
Crystal Structure of Human Protein phosphatase 1A (PPM1A) Bound with Citrate at 1 mM of Mn2+
Descriptor: CITRATE ANION, MANGANESE (II) ION, PHOSPHATE ION, ...
Authors:Hu, T, Wang, L, Wang, K, Jiang, H, Shen, X.
Deposit date:2009-01-21
Release date:2010-01-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for the Mn2+-dependent activation of human PPM1A
To be published
3FXO
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BU of 3fxo by Molmil
Crystal Structure of Human Protein phosphatase 1A (PPM1A) Bound with Phosphate at 1 mM of Mn2+
Descriptor: MANGANESE (II) ION, PHOSPHATE ION, Protein phosphatase 1A
Authors:Hu, T, Wang, L, Wang, K, Jiang, H, Shen, X.
Deposit date:2009-01-21
Release date:2010-01-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the Mn2+-dependent activation of human PPM1A
To be published
3FXM
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BU of 3fxm by Molmil
Crystal Structure of Human Protein phosphatase 1A (PPM1A) Bound with Citrate at 10 mM of Mn2+
Descriptor: CITRATE ANION, MANGANESE (II) ION, PHOSPHATE ION, ...
Authors:Hu, T, Wang, L, Wang, K, Jiang, H, Shen, X.
Deposit date:2009-01-21
Release date:2010-01-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the Mn2+-dependent activation of human PPM1A
To be published
8AVO
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BU of 8avo by Molmil
Human leptin in complex with the human LEP-R ectodomain fused to a C-terminal trimeric isoleucine GCN4 zipper (open 3:3 model).
Descriptor: Leptin, Leptin receptor
Authors:Verstraete, K, Savvides, S.N, Verschueren, K.G, Tsirigotaki, A.
Deposit date:2022-08-26
Release date:2023-04-05
Last modified:2023-04-26
Method:ELECTRON MICROSCOPY (6.84 Å)
Cite:Mechanism of receptor assembly via the pleiotropic adipokine Leptin.
Nat.Struct.Mol.Biol., 30, 2023
8AVF
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BU of 8avf by Molmil
Human leptin in complex with the human LEP-R ectodomain fused to a C-terminal trimeric isoleucine GCN4 zipper (closed 3:3 model)
Descriptor: Leptin, Leptin receptor
Authors:Verstraete, K, Savvides, S.N, Verschueren, K.G, Tsirigotaki, A.
Deposit date:2022-08-26
Release date:2023-04-05
Last modified:2023-04-26
Method:ELECTRON MICROSCOPY (6.45 Å)
Cite:Mechanism of receptor assembly via the pleiotropic adipokine Leptin.
Nat.Struct.Mol.Biol., 30, 2023
3PVB
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BU of 3pvb by Molmil
Crystal structure of (73-244)RIa:C holoenzyme of cAMP-dependent Protein kinase
Descriptor: GLYCEROL, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Boettcher, A.J, Wu, J, Kim, C, Yang, J, Bruystens, J, Cheung, N, Pennypacker, J.K, Blumenthal, D.A, Kornev, A.P, Taylor, S.S.
Deposit date:2010-12-06
Release date:2011-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structure of (73-244)RIa:C holoenzyme of cAMP-dependent Protein kinase
Structure, 19, 2011
8OK2
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BU of 8ok2 by Molmil
Bipartite interaction of TOPBP1 with the GINS complex
Descriptor: DNA replication complex GINS protein PSF1, DNA replication complex GINS protein PSF2, DNA replication complex GINS protein PSF3, ...
Authors:Day, M, Oliver, A.W, Pearl, L.H.
Deposit date:2023-03-26
Release date:2024-03-13
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:TopBP1 utilises a bipartite GINS binding mode to support genome replication.
Nat Commun, 15, 2024
2XGX
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BU of 2xgx by Molmil
Crystal structure of transcription factor NtcA from Synechococcus elongatus (mercury derivative)
Descriptor: 2-OXOGLUTARIC ACID, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLOBAL NITROGEN REGULATOR, ...
Authors:Llacer, J.L, Castells, M.A, Rubio, V.
Deposit date:2010-06-08
Release date:2010-08-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural Basis for the Regulation of Ntca-Dependent Transcription by Proteins Pipx and Pii.
Proc.Natl.Acad.Sci.USA, 107, 2010
3RDH
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BU of 3rdh by Molmil
X-ray induced covalent inhibition of 14-3-3
Descriptor: 14-3-3 protein zeta/delta, 4-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]benzoic acid, NICKEL (II) ION
Authors:Horton, J.R, Upadhyay, A.K, Fu, H, Cheng, X.
Deposit date:2011-04-01
Release date:2011-09-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Discovery and structural characterization of a small molecule 14-3-3 protein-protein interaction inhibitor.
Proc.Natl.Acad.Sci.USA, 108, 2011
6GVA
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BU of 6gva by Molmil
CDK2/cyclin A2 in complex with pyrazolo[4,3-d]pyrimidine inhibitor LGR4455
Descriptor: 1,2-ETHANEDIOL, 5-(2-azanylethylsulfanyl)-3-propan-2-yl-~{N}-[(4-pyridin-2-ylphenyl)methyl]-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine, BROMIDE ION, ...
Authors:Skerlova, J, Rezacova, P.
Deposit date:2018-06-20
Release date:2019-05-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:3,5,7-Substituted Pyrazolo[4,3- d]pyrimidine Inhibitors of Cyclin-Dependent Kinases and Their Evaluation in Lymphoma Models.
J.Med.Chem., 62, 2019
1CQT
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BU of 1cqt by Molmil
CRYSTAL STRUCTURE OF A TERNARY COMPLEX CONTAINING AN OCA-B PEPTIDE, THE OCT-1 POU DOMAIN, AND AN OCTAMER ELEMENT
Descriptor: DNA (5'-D(*AP*CP*CP*TP*TP*AP*TP*TP*TP*GP*CP*AP*TP*AP*C)-3'), DNA (5'-D(*TP*GP*TP*AP*TP*GP*CP*AP*AP*AP*TP*AP*AP*GP*G)-3'), POU DOMAIN, ...
Authors:Chasman, D.I, Cepek, K, Sharp, P.A, Pabo, C.O.
Deposit date:1999-08-11
Release date:1999-11-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of an OCA-B peptide bound to an Oct-1 POU domain/octamer DNA complex: specific recognition of a protein-DNA interface.
Genes Dev., 13, 1999
4D0N
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BU of 4d0n by Molmil
AKAP13 (AKAP-Lbc) RhoGEF domain in complex with RhoA
Descriptor: 1,2-ETHANEDIOL, A-KINASE ANCHOR PROTEIN 13, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Abdul Azeez, K.R, Shrestha, L, Krojer, T, Allerston, C, von Delft, F, Bountra, C, Arrowsmith, C, Edwards, A.M, Knapp, S, Klussmann, E, Elkins, J.M.
Deposit date:2014-04-29
Release date:2014-05-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Crystal Structure of the Rhoa : Akap-Lbc Dh-Ph Domain Complex.
Biochem.J., 464, 2014
1G3N
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BU of 1g3n by Molmil
STRUCTURE OF A P18(INK4C)-CDK6-K-CYCLIN TERNARY COMPLEX
Descriptor: CYCLIN-DEPENDENT KINASE 6, CYCLIN-DEPENDENT KINASE 6 INHIBITOR, V-CYCLIN
Authors:Jeffrey, P.D, Tong, L, Pavletich, N.P.
Deposit date:2000-10-24
Release date:2001-01-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of inhibition of CDK-cyclin complexes by INK4 inhibitors.
Genes Dev., 14, 2000
2QCS
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BU of 2qcs by Molmil
A complex structure between the Catalytic and Regulatory subunit of Protein Kinase A that represents the inhibited state
Descriptor: ACETATE ION, GLYCEROL, MANGANESE (II) ION, ...
Authors:Kim, C, Cheng, C.Y, Saldanha, A.S, Taylor, S.S.
Deposit date:2007-06-19
Release date:2007-11-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:PKA-I holoenzyme structure reveals a mechanism for cAMP-dependent activation.
Cell(Cambridge,Mass.), 130, 2007
3PXZ
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BU of 3pxz by Molmil
CDK2 ternary complex with JWS648 and ANS
Descriptor: 2-(4,6-diamino-1,3,5-triazin-2-yl)-4-methoxyphenol, 8-ANILINO-1-NAPHTHALENE SULFONATE, Cell division protein kinase 2
Authors:Betzi, S, Alam, R, Schonbrunn, E.
Deposit date:2010-12-10
Release date:2011-02-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of a Potential Allosteric Ligand Binding Site in CDK2.
Acs Chem.Biol., 6, 2011
3PY1
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BU of 3py1 by Molmil
CDK2 ternary complex with SU9516 and ANS
Descriptor: (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE, 1,2-ETHANEDIOL, 8-ANILINO-1-NAPHTHALENE SULFONATE, ...
Authors:Betzi, S, Alam, R, Schonbrunn, E.
Deposit date:2010-12-10
Release date:2011-02-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of a Potential Allosteric Ligand Binding Site in CDK2.
Acs Chem.Biol., 6, 2011

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