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5AV0
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BU of 5av0 by Molmil
Crystal structure of DAPK1 in complex with 7,3',4'-trihydroxyisoflavone.
Descriptor: 3-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one, Death-associated protein kinase 1
Authors:Yokoyama, T, Mizuguchi, M.
Deposit date:2015-06-10
Release date:2015-10-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids.
J.Med.Chem., 58, 2015
1DGV
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BU of 1dgv by Molmil
HOMOLOGY-BASED MODEL OF APO CIB (CALCIUM-AND INTEGRIN-BINDING PROTEIN)
Descriptor: APO CIB
Authors:Hwang, P.M, Vogel, H.J.
Deposit date:1999-11-25
Release date:1999-12-08
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structures of the platelet calcium- and integrin-binding protein and the alphaIIb-integrin cytoplasmic domain suggest a mechanism for calcium-regulated recognition; homology modelling and NMR studies.
J.Mol.Recog., 13, 2000
3UIT
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BU of 3uit by Molmil
Overall structure of Patj/Pals1/Mals complex
Descriptor: ACETATE ION, InaD-like protein, MAGUK p55 subfamily member 5, ...
Authors:Zhang, J, Yang, X, Long, J, Shen, Y.
Deposit date:2011-11-06
Release date:2012-02-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure of an L27 domain heterotrimer from cell polarity complex Patj/Pals1/Mals2 reveals mutually independent L27 domain assembly mode
J.Biol.Chem., 287, 2012
6TZ8
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BU of 6tz8 by Molmil
Crystal structure of Cryptococcus neoformans Calceineurin A, Calcineurin B, and FKBP12 with FK-506
Descriptor: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, Calcineurin subunit B, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-08-10
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents.
Nat Commun, 10, 2019
6TZ6
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BU of 6tz6 by Molmil
Crystal Structure of Candida Albicans 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, Lukacs, C.M.
Deposit date:2019-08-10
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents.
Nat Commun, 10, 2019
2RMO
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BU of 2rmo by Molmil
Solution structure of alpha-spectrin_SH3-bergerac from Chicken
Descriptor: Spectrin alpha chain, brain
Authors:Kutyshenko, V.P, Prokhorov, D.A, Timchenko, M.A, Kudrevatykh, Y.A, Fedyukina, D.V, Gushchina, L.V, Khristoforov, V.S, Filimonov, V.V.
Deposit date:2007-11-07
Release date:2008-09-30
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Study of the structure and dynamics of a chimeric variant of the SH3 domain (SHA-Bergerac) by NMR spectroscopy
Russ.J.Bioorganic Chem., 34, 2008
2ROT
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BU of 2rot by Molmil
Structure of chimeric variant of SH3 domain- SHH
Descriptor: Spectrin alpha chain, brain
Authors:Kutyshenko, N.P, Prokhorov, D.A, Timchenko, M.A, Kudrevatykh, Y.A, Gushchina, L.V, Khristoforov, V.S, Filimonov, V.V.
Deposit date:2008-04-10
Release date:2009-04-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure and dynamics of the chimeric SH3 domains, SHH- and SHA-"Bergeracs".
Biochim.Biophys.Acta, 1794, 2009
2BHJ
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BU of 2bhj by Molmil
murine iNO synthase with coumarin inhibitor
Descriptor: 7,8-DIHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Mathieu, M, Guilloteau, J.P.
Deposit date:2005-01-12
Release date:2005-03-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Design, Synthesis and Characterization of a Novel Class of Coumarin-Based Inhibitors of Inducible Nitric Oxide Synthase
Bioorg.Med.Chem., 13, 2005
2RQ8
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BU of 2rq8 by Molmil
Solution NMR structure of titin I27 domain mutant
Descriptor: Titin
Authors:Yagawa, K, Oguro, T, Momose, T, Kawano, S, Sato, T, Endo, T.
Deposit date:2009-03-05
Release date:2010-02-02
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structural basis for unfolding pathway-dependent stability of proteins: Vectorial unfolding vs. global unfolding
Protein Sci., 2010
1PSB
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BU of 1psb by Molmil
Solution structure of calcium loaded S100B complexed to a peptide from N-Terminal regulatory domain of NDR kinase.
Descriptor: Ndr Ser/Thr kinase-like protein, S-100 protein, beta chain
Authors:Bhattacharya, S, Large, E, Heizmann, C.W, Hemmings, B, Chazin, W.J.
Deposit date:2003-06-21
Release date:2003-12-16
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of the Ca(2+)/S100B/NDR Kinase Peptide Complex: Insights into S100 Target Specificity and Activation of the Kinase.
Biochemistry, 42, 2003
1RGW
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BU of 1rgw by Molmil
Solution Structure of ZASP's PDZ domain
Descriptor: ZASP protein
Authors:Au, Y, Atkinson, R.A, Pallavicini, A, Joseph, C, Martin, S.R, Muskett, F.W, Guerrini, R, Faulkner, G, Pastore, A.
Deposit date:2003-11-13
Release date:2004-04-13
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution Structure of ZASP PDZ Domain; Implications for Sarcomere Ultrastructure and Enigma Family Redundancy.
Structure, 12, 2004
1ZL8
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BU of 1zl8 by Molmil
NMR structure of L27 heterodimer from C. elegans Lin-7 and H. sapiens Lin-2 scaffold proteins
Descriptor: LIN-7, Peripheral plasma membrane protein CASK
Authors:Petrosky, K.Y, Ou, H.D, Lohr, F, Dotsch, V, Lim, W.A.
Deposit date:2005-05-05
Release date:2005-09-13
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:A General Model for Preferential Hetero-oligomerization of LIN-2/7 Domains: Mechanism Underlying Directed Assembly of Supramolecular Signaling Complexes
J.Biol.Chem., 280, 2005
2V26
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BU of 2v26 by Molmil
Myosin VI (MD) pre-powerstroke state (Mg.ADP.VO4)
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Menetrey, J, Llinas, P, Mukherjea, M, Sweeney, H.L, Houdusse, A.
Deposit date:2007-06-03
Release date:2007-11-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The Structural Basis for the Large Powerstroke of Myosin Vi.
Cell(Cambridge,Mass.), 131, 2007
1SRA
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BU of 1sra by Molmil
STRUCTURE OF A NOVEL EXTRACELLULAR CA2+-BINDING MODULE IN BM-40(SLASH)SPARC(SLASH)OSTEONECTIN
Descriptor: CALCIUM ION, SPARC
Authors:Hohenester, E, Maurer, P, Hohenadl, C, Timpl, R, Jansonius, J.N, Engel, J.
Deposit date:1995-08-21
Release date:1996-03-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of a novel extracellular Ca(2+)-binding module in BM-40.
Nat.Struct.Biol., 3, 1996
1SYM
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BU of 1sym by Molmil
3-D SOLUTION STRUCTURE OF REDUCED APO-S100B FROM RAT, NMR, 20 STRUCTURES
Descriptor: S100B
Authors:Drohat, A.C, Weber, D.J.
Deposit date:1996-05-29
Release date:1996-12-07
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of rat apo-S100B(beta beta) as determined by NMR spectroscopy.
Biochemistry, 35, 1996
3O96
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BU of 3o96 by Molmil
Crystal Structure of Human AKT1 with an Allosteric Inhibitor
Descriptor: 1-(1-(4-(7-phenyl-1H-imidazo[4,5-g]quinoxalin-6-yl)benzyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one, RAC-alpha serine/threonine-protein kinase
Authors:Voegtli, W.C, Wu, W.-I, Lord-Ondash, H.A, Dizon, F.P, Vigers, G.P.A, Brandhuber, B.J.
Deposit date:2010-08-03
Release date:2010-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of human AKT1 with an allosteric inhibitor reveals a new mode of kinase inhibition.
Plos One, 5, 2010
4IK5
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BU of 4ik5 by Molmil
High resolution structure of Delta-REST-GCaMP3
Descriptor: CALCIUM ION, RCaMP, Green fluorescent protein
Authors:Chen, Y, Song, X, Miao, L, Zhu, Y, Ji, G.
Deposit date:2012-12-25
Release date:2014-01-29
Last modified:2017-06-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insight into enhanced calcium indicator GCaMP3 and GCaMPJ to promote further improvement.
Protein Cell, 4, 2013
4IK1
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BU of 4ik1 by Molmil
High resolution structure of GCaMPJ at pH 8.5
Descriptor: CALCIUM ION, RCaMP, Green fluorescent protein
Authors:Chen, Y, Song, X, Miao, L, Zhu, Y, Ji, G.
Deposit date:2012-12-25
Release date:2014-02-05
Last modified:2017-06-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insight into enhanced calcium indicator GCaMP3 and GCaMPJ to promote further improvement.
Protein Cell, 4, 2013
4IK4
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BU of 4ik4 by Molmil
High resolution structure of GCaMP3 at pH 5.0
Descriptor: CALCIUM ION, RCaMP, Green fluorescent protein
Authors:Chen, Y, Song, X, Miao, L, Zhu, Y, Ji, G.
Deposit date:2012-12-25
Release date:2014-02-05
Last modified:2017-06-21
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural insight into enhanced calcium indicator GCaMP3 and GCaMPJ to promote further improvement.
Protein Cell, 4, 2013
6FSA
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BU of 6fsa by Molmil
Beta-Cardiac myosin post-rigor
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, FORMIC ACID, ...
Authors:Robert-Paganin, J, Auguin, D, Houdusse, A.
Deposit date:2018-02-19
Release date:2018-07-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Hypertrophic cardiomyopathy disease results from disparate impairments of cardiac myosin function and auto-inhibition.
Nat Commun, 9, 2018
4IK3
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BU of 4ik3 by Molmil
High resolution structure of GCaMP3 at pH 8.5
Descriptor: CALCIUM ION, RCaMP, Green fluorescent protein
Authors:Chen, Y, Song, X, Miao, L, Zhu, Y, Ji, G.
Deposit date:2012-12-25
Release date:2014-01-29
Last modified:2017-06-21
Method:X-RAY DIFFRACTION (2.007 Å)
Cite:Structural insight into enhanced calcium indicator GCaMP3 and GCaMPJ to promote further improvement.
Protein Cell, 4, 2013
4IK9
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BU of 4ik9 by Molmil
High resolution structure of GCaMP3 dimer form 2 at pH 7.5
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, RCaMP, ...
Authors:Chen, Y, Song, X, Miao, L, Zhu, Y, Ji, G.
Deposit date:2012-12-25
Release date:2014-01-29
Last modified:2017-06-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insight into enhanced calcium indicator GCaMP3 and GCaMPJ to promote further improvement.
Protein Cell, 4, 2013
4IK8
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BU of 4ik8 by Molmil
High resolution structure of GCaMP3 dimer form 1 at pH 7.5
Descriptor: CALCIUM ION, RCaMP, Green fluorescent protein
Authors:Chen, Y, Song, X, Miao, L, Zhu, Y, Ji, G.
Deposit date:2012-12-25
Release date:2014-02-05
Last modified:2017-06-21
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural insight into enhanced calcium indicator GCaMP3 and GCaMPJ to promote further improvement.
Protein Cell, 4, 2013
6HHF
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BU of 6hhf by Molmil
Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor Borussertib
Descriptor: Borussertib, RAC-alpha serine/threonine-protein kinase
Authors:Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D.
Deposit date:2018-08-28
Release date:2019-03-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Preclinical Efficacy of Covalent-Allosteric AKT Inhibitor Borussertib in Combination with Trametinib inKRAS-Mutant Pancreatic and Colorectal Cancer.
Cancer Res., 79, 2019
6HHI
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BU of 6hhi by Molmil
Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 30b
Descriptor: 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
Authors:Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D.
Deposit date:2018-08-28
Release date:2019-02-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt.
Chem Sci, 10, 2019

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