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3NYV
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BU of 3nyv by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with non-specific inhibitor WHI-P180
Descriptor: 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE, Calmodulin-domain protein kinase 1
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-07-15
Release date:2010-07-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Binding modes of non-specific inhibitors of Calcium-Dependent Protein Kinase 1 (CDPK1) from T. gondii and C. parvum
To be Published
5FF1
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BU of 5ff1 by Molmil
Two way mode of binding of antithyroid drug methimazole to mammalian heme peroxidases: Structure of the complex of lactoperoxidase with methimazole at 1.97 Angstrom resolution
Descriptor: 1-METHYL-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Singh, R.P, Singh, A, Sirohi, H, Singh, A.K, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2015-12-17
Release date:2016-01-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Dual binding mode of antithyroid drug methimazole to mammalian heme peroxidases - structural determination of the lactoperoxidase-methimazole complex at 1.97 angstrom resolution.
Febs Open Bio, 6, 2016
2ES0
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BU of 2es0 by Molmil
Structure of the regulator of G-protein signaling domain of RGS6
Descriptor: regulator of G-protein signalling 6
Authors:Schoch, G.A, Phillips, C, Turnbull, A, Niesen, F, Johansson, C, Elkins, J.M, Longman, E, Gilealdi, C, Sobott, F, Ball, L, Sundstrom, M, Edwards, A, Arrowsmith, C, von Delft, F, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2005-10-25
Release date:2005-11-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2WQ2
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BU of 2wq2 by Molmil
GCN4 leucine zipper mutant with three IxxNTxx motifs coordinating iodide
Descriptor: GENERAL CONTROL PROTEIN GCN4, IODIDE ION
Authors:Hartmann, M.D, Hernandez Alvarez, B, Lupas, A.N.
Deposit date:2009-08-12
Release date:2009-11-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:A Coiled-Coil Motif that Sequesters Ions to the Hydrophobic Core.
Proc.Natl.Acad.Sci.USA, 106, 2009
2WQ3
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BU of 2wq3 by Molmil
GCN4 leucine zipper mutant with three IxxNTxx motifs coordinating chloride and nitrate
Descriptor: CHLORIDE ION, GENERAL CONTROL PROTEIN GCN4, NITRATE ION
Authors:Hartmann, M.D, Hernandez Alvarez, B, Lupas, A.N.
Deposit date:2009-08-12
Release date:2009-11-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:A Coiled-Coil Motif that Sequesters Ions to the Hydrophobic Core.
Proc.Natl.Acad.Sci.USA, 106, 2009
3QR5
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BU of 3qr5 by Molmil
Structure of the first domain of a cardiac Ryanodine Receptor mutant with exon 3 deleted
Descriptor: Cardiac Ca2+ release channel
Authors:Lobo, P.A, Van Petegem, F.
Deposit date:2011-02-17
Release date:2011-06-08
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The deletion of exon 3 in the cardiac ryanodine receptor is rescued by beta strand switching.
Structure, 19, 2011
2X4U
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BU of 2x4u by Molmil
Crystal structure of MHC CLass I HLA-A2.1 bound to HIV-1 Peptide RT468-476
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-2-MICROGLOBULIN, GLYCEROL, ...
Authors:Celie, P.H.N, Toebes, M, Rodenko, B, Ovaa, H, Perrakis, A, Schumacher, T.N.M.
Deposit date:2010-02-02
Release date:2010-03-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Uv-Induced Ligand Exchange in Mhc Class I Protein Crystals.
J.Am.Chem.Soc., 131, 2009
3U0K
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BU of 3u0k by Molmil
Crystal Structure of the genetically encoded calcium indicator RCaMP
Descriptor: ACETATE ION, CALCIUM ION, RCaMP
Authors:Akerboom, J, Looger, L.L, Schreiter, E.R.
Deposit date:2011-09-28
Release date:2012-10-03
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Genetically encoded calcium indicators for multi-color neural activity imaging and combination with optogenetics.
Front Mol Neurosci, 6, 2013
2REL
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BU of 2rel by Molmil
SOLUTION STRUCTURE OF R-ELAFIN, A SPECIFIC INHIBITOR OF ELASTASE, NMR, 11 STRUCTURES
Descriptor: R-ELAFIN
Authors:Francart, C, Dauchez, M, Alix, A.J.P, Lippens, G.
Deposit date:1997-04-01
Release date:1997-07-07
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Solution structure of R-elafin, a specific inhibitor of elastase.
J.Mol.Biol., 268, 1997
3O65
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BU of 3o65 by Molmil
Crystal structure of a Josephin-ubiquitin complex: Evolutionary restraints on ataxin-3 deubiquitinating activity
Descriptor: Putative ataxin-3-like protein, SODIUM ION, Ubiquitin
Authors:Weeks, S.D, Grasty, K.C, Hernandez-Cuebas, L, Loll, P.J.
Deposit date:2010-07-28
Release date:2010-11-24
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of a Josephin-Ubiquitin Complex: EVOLUTIONARY RESTRAINTS ON ATAXIN-3 DEUBIQUITINATING ACTIVITY.
J.Biol.Chem., 286, 2011
4L1T
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BU of 4l1t by Molmil
Transthyretin in complex with (E)-3-(dimethylamino)-5-(4-hydroxy-3,5-dimethylstyryl)benzoic acid
Descriptor: 3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoic acid, Transthyretin
Authors:Connelly, S, Wilson, I.A.
Deposit date:2013-06-03
Release date:2013-10-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Fluorogenic small molecules requiring reaction with a specific protein to create a fluorescent conjugate for biological imaging-what we know and what we need to learn.
Biopolymers, 101, 2014
2FOK
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BU of 2fok by Molmil
STRUCTURE OF RESTRICTION ENDONUCLEASE FOKI
Descriptor: FOKI RESTRICTION ENDONUCLEASE
Authors:Wah, D.A, Bitinaite, J, Schildkraut, I, Aggarwal, A.K.
Deposit date:1998-03-30
Release date:1998-06-17
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of FokI has implications for DNA cleavage.
Proc.Natl.Acad.Sci.Usa, 95, 1998
2D0D
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BU of 2d0d by Molmil
Crystal Structure of a Meta-cleavage Product Hydrolase (CumD) A129V Mutant
Descriptor: 2-hydroxy-6-oxo-7-methylocta-2,4-dienoate hydrolase, CHLORIDE ION, PHOSPHATE ION
Authors:Jun, S.Y, Fushinobu, S, Nojiri, H, Omori, T, Shoun, H, Wakagi, T.
Deposit date:2005-08-01
Release date:2006-06-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Improving the catalytic efficiency of a meta-cleavage product hydrolase (CumD) from Pseudomonas fluorescens IP01
Biochim.Biophys.Acta, 1764, 2006
3VX1
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BU of 3vx1 by Molmil
Crystal Structure of alpha-Amylase from Aspergillus oryzae
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase A type-1/2, CALCIUM ION
Authors:Sugahara, M.
Deposit date:2012-09-06
Release date:2013-09-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of alpha-Amylase from Aspergillus oryzae
To be Published
3VQH
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BU of 3vqh by Molmil
Bromine SAD partially resolves multiple binding modes for PKA inhibitor H-89
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Pflug, A, Johnson, K.A, Engh, R.A.
Deposit date:2012-03-23
Release date:2012-08-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Anomalous dispersion analysis of inhibitor flexibility: a case study of the kinase inhibitor H-89
Acta Crystallogr.,Sect.F, 68, 2012
3VI5
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BU of 3vi5 by Molmil
Human hematopoietic prostaglandin D synthase inhibitor complex structures
Descriptor: 1-amino-9,10-dioxo-4-[(4-sulfamoylphenyl)amino]-9,10-dihydroanthracene-2-sulfonic acid, CALCIUM ION, GLUTATHIONE, ...
Authors:Kado, Y, Inoue, T.
Deposit date:2011-09-21
Release date:2012-04-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human hematopoietic prostaglandin D synthase inhibitor complex structures
J.Biochem., 151, 2012
2GVY
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BU of 2gvy by Molmil
Monoclinic crystal form of Aspergillus niger alpha-amylase in complex with maltose at 1.8 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase A, CALCIUM ION, ...
Authors:Vujicic-Zagar, A, Dijkstra, B.W.
Deposit date:2006-05-03
Release date:2006-08-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Monoclinic crystal form of Aspergillus niger alpha-amylase in complex with maltose at 1.8 angstroms resolution.
ACTA CRYSTALLOGR.,SECT.F, 62, 2006
3NFP
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BU of 3nfp by Molmil
Crystal structure of the Fab fragment of therapeutic antibody daclizumab in complex with IL-2Ra (CD25) ectodomain
Descriptor: Heavy chain of Fab fragment of daclizumab, Interleukin-2 receptor subunit alpha, Light chain of Fab fragment of daclizumab
Authors:Yang, H, Wang, J, Du, J, Zhong, C, Guo, Y, Ding, J.
Deposit date:2010-06-10
Release date:2010-09-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Structural basis of immunosuppression by the therapeutic antibody daclizumab
Cell Res., 20, 2010
2WPY
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BU of 2wpy by Molmil
GCN4 leucine zipper mutant with one VxxNxxx motif coordinating chloride
Descriptor: CHLORIDE ION, GENERAL CONTROL PROTEIN GCN4
Authors:Zeth, K, Hartmann, M.D, Albrecht, R, Lupas, A.N, Hernandez Alvarez, B.
Deposit date:2009-08-12
Release date:2009-11-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A Coiled-Coil Motif that Sequesters Ions to the Hydrophobic Core.
Proc.Natl.Acad.Sci.USA, 106, 2009
4LDT
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BU of 4ldt by Molmil
The structure of h/ceOTUB1-ubiquitin aldehyde-UBCH5B~Ub
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, Ubiquitin, ...
Authors:Wiener, R, DiBello, A.T, Lombardi, P.M, Guzzo, C.M, Zhang, X, Matunis, M.J, Wolberger, C.
Deposit date:2013-06-25
Release date:2013-08-14
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:E2 ubiquitin-conjugating enzymes regulate the deubiquitinating activity of OTUB1.
Nat.Struct.Mol.Biol., 20, 2013
2EWM
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BU of 2ewm by Molmil
Crystal Structure of the (S)-Specific 1-Phenylethanol Dehydrogenase of the Denitrifying Bacterium Strain EbN1
Descriptor: (S)-1-Phenylethanol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
Authors:Hoeffken, H.W.
Deposit date:2005-11-04
Release date:2006-03-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure and Enzyme kinetics of the (S)-Specific 1-Phenylethanol Dehydrogenase of the denitrifying bacterium Strain EbN1
Biochemistry, 45, 2006
2F5W
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BU of 2f5w by Molmil
Cross-linked barnase soaked in 3 M thiourea
Descriptor: Ribonuclease, THIOUREA, ZINC ION
Authors:Prange, T, Salem, M.
Deposit date:2005-11-28
Release date:2006-04-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:On the edge of the denaturation process: Application of X-ray diffraction to barnase and lysozyme cross-linked crystals with denaturants in molar concentrations.
Biochim.Biophys.Acta, 1764, 2006
2X7O
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BU of 2x7o by Molmil
Crystal structure of TGFbRI complexed with an indolinone inhibitor
Descriptor: (3Z)-N-ETHYL-N-METHYL-2-OXO-3-(PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]AMINO}METHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-6-CARBOXAMIDE, TGF-BETA RECEPTOR TYPE I
Authors:Roth, G.J, Heckel, A, Brandl, T, Grauert, M, Hoerer, S, Kley, J.T, Schnapp, G, Baum, P, Mennerich, D, Schnapp, A, Park, J.E.
Deposit date:2010-03-03
Release date:2010-10-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Design, Synthesis and Evaluation of Indolinones as Inhibitors of the Transforming Growth Factor Beta Receptor I (Tgfbri)
J.Med.Chem., 53, 2010
2WPZ
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BU of 2wpz by Molmil
GCN4 leucine zipper mutant with two VxxNxxx motifs coordinating chloride
Descriptor: CHLORIDE ION, GENERAL CONTROL PROTEIN GCN4
Authors:Zeth, K, Hartmann, M.D, Albrecht, R, Lupas, A.N, Hernandez Alvarez, B.
Deposit date:2009-08-12
Release date:2009-11-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:A Coiled-Coil Motif that Sequesters Ions to the Hydrophobic Core.
Proc.Natl.Acad.Sci.USA, 106, 2009
4JOU
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BU of 4jou by Molmil
Structural study of Bacillus subtilis HmoB in complex with heme
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Putative uncharacterized protein yhgC
Authors:Choe, J, Park, S.
Deposit date:2013-03-19
Release date:2014-03-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural study of Bacillus subtilis HmoB in complex with heme
To be Published

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