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6TZ7
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BU of 6tz7 by Molmil
Crystal Structure of Aspergillus fumigatus Calcineurin A, Calcineurin B, FKBP12 and FK506 (Tacrolimus)
Descriptor: 1,2-ETHANEDIOL, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, ...
Authors:Fox III, D, Horanyi, P.S.
Deposit date:2019-08-10
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents.
Nat Commun, 10, 2019
1OQP
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BU of 1oqp by Molmil
STRUCTURE OF THE CA2+/C-TERMINAL DOMAIN OF CALTRACTIN IN COMPLEX WITH THE CDC31P-BINDING DOMAIN FROM KAR1P
Descriptor: Caltractin, Cell division control protein KAR1
Authors:Hu, H.T, Chazin, W.J.
Deposit date:2003-03-10
Release date:2003-06-24
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Unique Features in the C-terminal Domain Provide Caltractin with Target Specificity
J.Mol.Biol., 330, 2003
4QGE
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BU of 4qge by Molmil
phosphodiesterase-9A in complex with inhibitor WYQ-C36D
Descriptor: MAGNESIUM ION, N~2~-(1-cyclopentyl-4-oxo-4,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-(4-methoxyphenyl)-D-alaninamide, Phosphodiesterase 9A, ...
Authors:Shao, Y.-X, Huang, M, Cui, W, Ke, H.
Deposit date:2014-05-22
Release date:2014-12-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of a Phosphodiesterase 9A Inhibitor as a Potential Hypoglycemic Agent.
J.Med.Chem., 57, 2014
6UUQ
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BU of 6uuq by Molmil
Structure of Calcineurin bound to RCAN1
Descriptor: Calcipressin-1, FE (III) ION, PHOSPHATE ION, ...
Authors:Sheftic, S, Page, R, Peti, W.
Deposit date:2019-10-31
Release date:2020-09-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.849 Å)
Cite:The structure of the RCAN1:CN complex explains the inhibition of and substrate recruitment by calcineurin.
Sci Adv, 6, 2020
3ZXT
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BU of 3zxt by Molmil
Dimeric structure of DAPK-1 catalytic domain in complex with AMPPCP- Mg
Descriptor: DEATH-ASSOCIATED PROTEIN KINASE 1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
Authors:de Diego, I, Lehmann, F, Wilmanns, M.
Deposit date:2011-08-15
Release date:2012-07-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:A Journey Through the Dap Kinase Architecture
To be Published
1NY3
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BU of 1ny3 by Molmil
Crystal structure of ADP bound to MAP KAP kinase 2
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAP kinase-activated protein kinase 2
Authors:Underwood, K.W, Parris, K.D, Federico, E, Mosyak, L, Shane, T, Taylor, M, Svenson, K, Liu, Y, Hsiao, C.L, Wolfrom, S, Maguire, M, Malakian, K, Telliez, J.B, Lin, L.L, Kriz, R.W, Seehra, J, Somers, W.S, Stahl, M.L.
Deposit date:2003-02-11
Release date:2003-10-14
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:Catalytically active MAP KAP kinase 2 structures in complex with staurosporine and ADP reveal differences with the autoinhibited enzyme
Structure, 11, 2003
1NXK
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BU of 1nxk by Molmil
Crystal structure of staurosporine bound to MAP KAP kinase 2
Descriptor: MAP kinase-activated protein kinase 2, STAUROSPORINE, SULFATE ION
Authors:Underwood, K.W, Parris, K.D, Federico, E, Mosyak, L, Czerwinski, R.M, Shane, T, Taylor, M, Svenson, K, Liu, Y, Hsiao, C.L, Wolfrom, S, Malakian, K, Telliez, J.B, Lin, L.L, Kriz, R.W, Seehra, J, Somers, W.S, Stahl, M.L.
Deposit date:2003-02-10
Release date:2003-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Catalytically active MAP KAP kinase 2 structures in complex with staurosporine and ADP reveal differences with the autoinhibited enzyme
Structure, 11, 2003
1H8K
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A-SPECTRIN SH3 DOMAIN A11V, V23L, M25V, V53I, V58L MUTANT
Descriptor: SPECTRIN ALPHA CHAIN
Authors:Vega, M.C, Serrano, L.
Deposit date:2001-02-09
Release date:2002-05-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Conformational Strain in the Hydrophobic Core and its Implications for Protein Folding and Design
Nat.Struct.Biol., 9, 2002
6MZB
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BU of 6mzb by Molmil
Cryo-EM structure of phosphodiesterase 6
Descriptor: GUANOSINE-3',5'-MONOPHOSPHATE, MAGNESIUM ION, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit gamma, ...
Authors:Gulati, S, Palczewski, K.
Deposit date:2018-11-04
Release date:2019-03-06
Last modified:2021-05-19
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM structure of phosphodiesterase 6 reveals insights into the allosteric regulation of type I phosphodiesterases.
Sci Adv, 5, 2019
1JWD
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BU of 1jwd by Molmil
Ca2+-induced Structural Changes in Calcyclin: High-resolution Solution Structure of Ca2+-bound Calcyclin.
Descriptor: Calcyclin
Authors:Maler, L, Sastry, M, Chazin, W.J.
Deposit date:2001-09-04
Release date:2002-03-27
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:A structural basis for S100 protein specificity derived from comparative analysis of apo and Ca(2+)-calcyclin
J.Mol.Biol., 317, 2002
2PNN
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BU of 2pnn by Molmil
Crystal Structure of the Ankyrin Repeat Domain of Trpv1
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Transient receptor potential cation channel subfamily V member 1
Authors:Jin, X, Gaudet, R.
Deposit date:2007-04-24
Release date:2007-07-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Ankyrin Repeats of TRPV1 Bind Multiple Ligands and Modulate Channel Sensitivity.
Neuron, 54, 2007
3C0G
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BU of 3c0g by Molmil
CASK CaM-Kinase Domain- 3'-AMP complex, P1 form
Descriptor: Peripheral plasma membrane protein CASK, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
Authors:Wahl, M.C.
Deposit date:2008-01-20
Release date:2008-04-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:CASK Functions as a Mg2+-independent neurexin kinase
Cell(Cambridge,Mass.), 133, 2008
6TCA
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BU of 6tca by Molmil
Phosphorylated p38 and MAPKAPK2 complex with inhibitor
Descriptor: MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14, N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
Authors:Sok, P, Remenyi, A.
Deposit date:2019-11-05
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:MAP Kinase-Mediated Activation of RSK1 and MK2 Substrate Kinases.
Structure, 28, 2020
3C0H
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BU of 3c0h by Molmil
CASK CaM-Kinase Domain- AMPPNP complex, P1 form
Descriptor: ADENOSINE MONOPHOSPHATE, Peripheral plasma membrane protein CASK
Authors:Wahl, M.C.
Deposit date:2008-01-20
Release date:2008-04-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:CASK Functions as a Mg2+-independent neurexin kinase
Cell(Cambridge,Mass.), 133, 2008
3C0I
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BU of 3c0i by Molmil
CASK CaM-Kinase Domain- 3'-AMP complex, P212121 form
Descriptor: Peripheral plasma membrane protein CASK, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
Authors:Wahl, M.C.
Deposit date:2008-01-20
Release date:2008-04-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:CASK Functions as a Mg2+-independent neurexin kinase
Cell(Cambridge,Mass.), 133, 2008
4QOX
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BU of 4qox by Molmil
Crystal Structure of CDPK4 from Plasmodium Falciparum, PF3D7_0717500
Descriptor: 3-(3-bromobenzyl)-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calcium-dependent protein kinase 4, MAGNESIUM ION
Authors:Wernimont, A.K, Walker, J.R, Hutchinson, A, Seitova, A, He, H, Loppnau, P, Neculai, M, Amani, M, Lin, Y.H, Ravichandran, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lovato, D.V, Structural Genomics Consortium (SGC)
Deposit date:2014-06-20
Release date:2014-09-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.748 Å)
Cite:Crystal Structure of CDPK4 from Plasmodium Falciparum, PF3D7_0717500
TO BE PUBLISHED
3JT4
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BU of 3jt4 by Molmil
Structure of neuronal nitric oxide synthase heme domain complexed with N~5~-[(3-(ethylsulfanyl)propanimidoyl]-L-ornithine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2009-09-11
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Heme-coordinating inhibitors of neuronal nitric oxide synthase. Iron-thioether coordination is stabilized by hydrophobic contacts without increased inhibitor potency.
J.Am.Chem.Soc., 132, 2010
3JT7
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BU of 3jt7 by Molmil
Structure of neuronal nitric oxide synthase heme domain complexed with N~5~-[2-(propylsulfanyl)ethanimidoyl]-L-ornithine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2009-09-11
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Heme-coordinating inhibitors of neuronal nitric oxide synthase. Iron-thioether coordination is stabilized by hydrophobic contacts without increased inhibitor potency.
J.Am.Chem.Soc., 132, 2010
2DOQ
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BU of 2doq by Molmil
crystal structure of Sfi1p/Cdc31p complex
Descriptor: CALCIUM ION, Cell division control protein 31, SFI1p
Authors:Li, S, Sandercock, A.M, Conduit, P.T, Robinson, C.V, Williams, R.L, Kilmartin, J.V.
Deposit date:2006-05-03
Release date:2006-06-27
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural role of Sfi1p-centrin filaments in budding yeast spindle pole body duplication.
J.Cell Biol., 173, 2006
1H4B
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BU of 1h4b by Molmil
SOLUTION STRUCTURE OF THE BIRCH POLLEN ALLERGEN BET V 4
Descriptor: CALCIUM ION, POLCALCIN BET V 4
Authors:Neudecker, P, Nerkamp, J, Eisenmann, A, Lauber, T, Lehmann, K, Schweimer, K, Roesch, P.
Deposit date:2003-02-26
Release date:2004-02-26
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution Structure, Dynamics, and Hydrodynamics of the Calcium-Bound Cross-Reactive Birch Pollen Allergen Bet V 4 Reveal a Canonical Monomeric Two EF-Hand Assembly with a Regulatory Function
J.Mol.Biol., 336, 2004
3C7N
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BU of 3c7n by Molmil
Structure of the Hsp110:Hsc70 Nucleotide Exchange Complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, CHLORIDE ION, ...
Authors:Schuermann, J.P, Jiang, J, Hart, P.J, Sousa, R.
Deposit date:2008-02-07
Release date:2008-05-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.115 Å)
Cite:Structure of the Hsp110:Hsc70 nucleotide exchange machine
Mol.Cell, 31, 2008
5CPV
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BU of 5cpv by Molmil
RESTRAINED LEAST SQUARES REFINEMENT OF NATIVE (CALCIUM) AND CADMIUM-SUBSTITUTED CARP PARVALBUMIN USING X-RAY CRYSTALLOGRAPHIC DATA AT 1.6-ANGSTROMS RESOLUTION
Descriptor: CALCIUM ION, CALCIUM-BINDING PARVALBUMIN B
Authors:Swain, A.L, Kretsinger, R.H, Amma, E.L.
Deposit date:1990-01-24
Release date:1990-10-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Restrained least squares refinement of native (calcium) and cadmium-substituted carp parvalbumin using X-ray crystallographic data at 1.6-A resolution.
J.Biol.Chem., 264, 1989
7JSN
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BU of 7jsn by Molmil
Structure of the Visual Signaling Complex between Transducin and Phosphodiesterase 6
Descriptor: 2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-5-METHYL-7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-4(1H)-ONE, GUANOSINE-3',5'-MONOPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Gao, Y, Eskici, G, Ramachandran, S, Skiniotis, G, Cerione, R.A.
Deposit date:2020-08-15
Release date:2020-10-21
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of the Visual Signaling Complex between Transducin and Phosphodiesterase 6.
Mol.Cell, 80, 2020
2CKE
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BU of 2cke by Molmil
Human death-associated DRP-1 kinase in complex with inhibitor
Descriptor: DEATH-ASSOCIATED PROTEIN KINASE 2, N-(2-AMINOETHYL)ISOQUINOLINE-5-SULFONAMIDE
Authors:Kursula, P, Wilmanns, M.
Deposit date:2006-04-18
Release date:2007-05-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of Human Drp-1 Complexed with an Inhibitor
To be Published
3LI6
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BU of 3li6 by Molmil
Crystal structure and trimer-monomer transition of N-terminal domain of EhCaBP1 from Entamoeba histolytica
Descriptor: CALCIUM ION, Calcium-binding protein
Authors:Kumar, S, Ahmad, E, Kumar, S, Mansuri, M.S, Khan, R.H, Samudrala, G.
Deposit date:2010-01-24
Release date:2010-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Crystal structure and trimer-monomer transition of N-terminal domain of EhCaBP1 from Entamoeba histolytica
Biophys.J., 98, 2010

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