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4J6K
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BU of 4j6k by Molmil
Crystal structure of calcium2+-free wild-type CD23 lectin domain (crystal form B)
Descriptor: Low affinity immunoglobulin epsilon Fc receptor, SULFATE ION
Authors:Dhaliwal, B, Pang, M.O.Y, Sutton, B.J.
Deposit date:2013-02-11
Release date:2013-08-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Conformational plasticity at the IgE-binding site of the B-cell receptor CD23.
Mol.Immunol., 56, 2013
3P2X
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BU of 3p2x by Molmil
Insulin fibrillation is the Janus face of induced fit. A chiaral clamp stabilizes the native state at the expense of activity
Descriptor: CHLORIDE ION, Insulin, PHENOL, ...
Authors:Hua, Q.X, Wan, Z.L, Huang, K, Hu, S.Q, Phillip, N.F, Jia, W.H, Whittingham, J, Dodson, G.G, Katsoyannis, P.G, Weiss, M.A.
Deposit date:2010-10-04
Release date:2011-11-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insulin fibrillation is the Janus face of induced fit. A chiral clamp stabilizes the native state at the expense of activity
To be Published
4BP2
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BU of 4bp2 by Molmil
CRYSTALLOGRAPHIC REFINEMENT OF BOVINE PRO-PHOSPHOLIPASE A2 AT 1.6 ANGSTROMS RESOLUTION
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, PHOSPHOLIPASE A2
Authors:Finzel, B.C, Weber, P.C, Ohlendorf, D.H, Salemme, F.R.
Deposit date:1990-09-07
Release date:1991-10-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystallographic refinement of bovine pro-phospholipase A2 at 1.6 A resolution.
Acta Crystallogr.,Sect.B, 47, 1991
4GCC
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BU of 4gcc by Molmil
Room temperature X-ray diffraction study of a 6-fold molar excess of a cisplatin/carboplatin mixture binding to HEWL, Dataset 1
Descriptor: Cisplatin, DIMETHYL SULFOXIDE, Lysozyme C
Authors:Helliwell, J.R, Tanley, S.W.M.
Deposit date:2012-07-30
Release date:2013-01-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure analysis of the relative binding of cisplatin and carboplatin in a mixture with histidine in a protein studied at 100 and 300 K with repeated X-ray irradiation.
Acta Crystallogr.,Sect.D, 69, 2013
3P33
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BU of 3p33 by Molmil
Insulin fibrillation is the Janus face of induced fit. A chiral clamp stabilizes the native state at the expense of activity
Descriptor: CHLORIDE ION, Insulin, PHENOL, ...
Authors:Hua, Q.X, Wan, Z.L, Huang, K, Hu, S.Q, Phillip, N.F, Jia, W.H, Whittingham, J, Dodson, G.G, Katsoyannis, P.G, Weiss, M.A.
Deposit date:2010-10-04
Release date:2011-11-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Insulin fibrillation is the Janus face of induced fit. A chiral clamp stabilizes the native state at the expense of activity
To be Published
4GDJ
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BU of 4gdj by Molmil
A subtype N10 neuraminidase-like protein of A/little yellow-shouldered bat/Guatemala/060/2010
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2012-07-31
Release date:2012-09-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of two subtype N10 neuraminidase-like proteins from bat influenza A viruses reveal a diverged putative active site.
Proc.Natl.Acad.Sci.USA, 109, 2012
4J9E
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BU of 4j9e by Molmil
Crystal structure of the N114A mutant of the Abl-SH3 domain complexed with the high affinity peptide P17
Descriptor: P17, SULFATE ION, Tyrosine-protein kinase ABL1
Authors:Camara-Artigas, A.
Deposit date:2013-02-16
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of the N114A mutant of the Abl-SH3 domain complexed with the high affinity peptide P17
To be Published
3P64
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BU of 3p64 by Molmil
Time-dependent and Protein-directed In Situ Growth of Gold Nanoparticles in a Single Crystal of Lysozyme
Descriptor: CHLORIDE ION, GOLD 3+ ION, GOLD ION, ...
Authors:Wei, H, Wang, Z, Zhang, J, House, S, Gao, Y.-G, Yang, L, Robinson, H, Tan, L.H, Xing, H, Hou, C, Robertson, I.M, Zuo, J.-M, Lu, Y.
Deposit date:2010-10-11
Release date:2011-02-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Time-dependent, protein-directed growth of gold nanoparticles within a single crystal of lysozyme.
Nat Nanotechnol, 6, 2011
3P6E
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BU of 3p6e by Molmil
Human adipocyte lipid-binding protein FABP4 in complex with 3-(4-methoxyphenyl) propionic acid
Descriptor: 3-(4-methoxyphenyl)propanoic acid, Fatty acid-binding protein, adipocyte
Authors:Gonzalez, J.M, Pozharski, E.
Deposit date:2010-10-11
Release date:2011-04-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Structural analysis of ibuprofen binding to human adipocyte fatty-acid binding protein (FABP4).
Acta Crystallogr F Struct Biol Commun, 71, 2015
3P6O
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BU of 3p6o by Molmil
Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC1-Etg-Dans
Descriptor: (3S,5S,7S)-N-(2-{2-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethoxy]ethoxy}ethyl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, Camphor 5-monooxygenase, POTASSIUM ION, ...
Authors:Lee, Y.-T, Wilson, R.F, Glazer, E.C, Goodin, D.B.
Deposit date:2010-10-11
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC1-Etg-Dans
To be Published
4GCF
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BU of 4gcf by Molmil
Room temperature X-ray diffraction study of a 6-fold molar excess of a cisplatin/carboplatin mixture binding to HEWL, Dataset 4
Descriptor: DIMETHYL SULFOXIDE, Lysozyme C, PLATINUM (II) ION
Authors:Helliwell, J.R, Tanley, S.W.M.
Deposit date:2012-07-30
Release date:2013-01-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:The crystal structure analysis of the relative binding of cisplatin and carboplatin in a mixture with histidine in a protein studied at 100 and 300 K with repeated X-ray irradiation.
Acta Crystallogr.,Sect.D, 69, 2013
2XN6
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BU of 2xn6 by Molmil
Crystal structure of thyroxine-binding globulin complexed with thyroxine-fluoresein
Descriptor: 1,2-ETHANEDIOL, 3',6'-DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-1,9'-XANTHENE]-6-CARBOXYLIC ACID, 3,5,3',5'-TETRAIODO-L-THYRONINE, ...
Authors:Qi, X, Yan, Y, Wei, Z, Zhou, A.
Deposit date:2010-07-30
Release date:2011-02-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Allosteric Modulation of Hormone Release from Thyroxine and Corticosteroid Binding-Globulins.
J.Biol.Chem., 286, 2011
2XN7
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BU of 2xn7 by Molmil
Crystal structure of thyroxine-binding globulin complexed with thyroxine-fluoresein (T405-CF)
Descriptor: 1,2-ETHANEDIOL, 3',6'-DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-1,9'-XANTHENE]-5-CARBOXYLIC ACID, 3,5,3',5'-TETRAIODO-L-THYRONINE, ...
Authors:Qi, X, Yan, Y, Wei, Z, Zhou, A.
Deposit date:2010-07-30
Release date:2011-02-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Allosteric Modulation of Hormone Release from Thyroxine and Corticosteroid Binding-Globulins.
J.Biol.Chem., 286, 2011
1I1Z
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BU of 1i1z by Molmil
MUTANT HUMAN LYSOZYME (Q86D)
Descriptor: LYSOZYME C
Authors:Kuroki, R.
Deposit date:2001-02-05
Release date:2001-02-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and thermodynamic responses of mutations at a Ca2+ binding site engineered into human lysozyme.
J.Biol.Chem., 273, 1998
4JDU
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BU of 4jdu by Molmil
The crystal structure of an aerotolerance-related membrane protein from Bacteroides fragilis NCTC 9343 with multiple mutations to serines.
Descriptor: Aerotolerance-related membrane protein, CALCIUM ION, FORMIC ACID
Authors:Fan, Y, Tan, K, Bigelow, L, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2013-02-25
Release date:2013-03-27
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:The crystal structure of an aerotolerance-related membrane protein from Bacteroides fragilis NCTC 9343 with multiple mutations to serines.
To be Published
3P99
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BU of 3p99 by Molmil
Sterol 14alpha-demethylase (CYP51) from Trypanosoma brucei in complex with delta7-14alpha-methylene-cyclopropyl-dihydrolanosterol
Descriptor: (3alpha,9beta,10alpha,13alpha)-30-cyclopropylidenelanost-7-en-3-ol, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha-demethylase
Authors:Lepesheva, G.I, Hargrove, T.Y, Waterman, M.R, Wawrzak, Z.
Deposit date:2010-10-16
Release date:2011-11-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural complex of sterol 14alpha-demethylase (CYP51) with 14alpha-methylenecyclopropyl-delta7-24, 25-dihydrolanosterol
J.Lipid Res., 53, 2012
4GJA
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BU of 4gja by Molmil
Crystal structure of renin in complex with NVP-AYL747 (compound 5)
Descriptor: (3S,5R)-N-(2,2-diphenylethyl)-5-{[(4-methylphenyl)sulfonyl]amino}piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, ...
Authors:Ostermann, N, Zink, F, Kroemer, M.
Deposit date:2012-08-09
Release date:2013-02-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A novel class of oral direct Renin inhibitors: highly potent 3,5-disubstituted piperidines bearing a tricyclic p3-p1 pharmacophore.
J.Med.Chem., 56, 2013
7Y4N
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BU of 7y4n by Molmil
Insight into the C-terminal SH3 domain mediated binding of Drosophila Drk to Sos and Dos
Descriptor: Growth factor receptor-bound protein 2
Authors:Pooppadi, M.S, Ikeya, T, Sugasawa, H, Watanabe, R, Mishima, M, Inomata, K, Ito, Y.
Deposit date:2022-06-15
Release date:2022-08-31
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Insight into the C-terminal SH3 domain mediated binding of Drosophila Drk to Sos and Dos.
Biochem.Biophys.Res.Commun., 625, 2022
4GJC
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BU of 4gjc by Molmil
Crystal structure of renin in complex with NVP-BCH965 (compound 9)
Descriptor: (3S,5R)-5-{[(4-methylphenyl)sulfonyl]amino}-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, ...
Authors:Ostermann, N, Zink, F, Kroemer, M.
Deposit date:2012-08-09
Release date:2013-02-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A novel class of oral direct Renin inhibitors: highly potent 3,5-disubstituted piperidines bearing a tricyclic p3-p1 pharmacophore.
J.Med.Chem., 56, 2013
4JOO
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BU of 4joo by Molmil
Spirocyclic Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors
Descriptor: (4R)-2'-amino-6-bromo-1',2,2-trimethyl-2,3-dihydrospiro[chromene-4,4'-imidazol]-5'(1'H)-one, Beta-secretase 1, NICKEL (II) ION
Authors:Vigers, G.P.A, Smith, D.
Deposit date:2013-03-18
Release date:2013-04-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Spirocyclic beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors: from hit to lowering of cerebrospinal fluid (CSF) amyloid beta in a higher species.
J.Med.Chem., 56, 2013
4GJX
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BU of 4gjx by Molmil
Crystal structure of CD23 lectin domain mutant D258A
Descriptor: GLYCEROL, Low affinity immunoglobulin epsilon Fc receptor
Authors:Yuan, D, Sutton, B.J, Dhaliwal, B.
Deposit date:2012-08-10
Release date:2013-06-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ca2+-dependent Structural Changes in the B-cell Receptor CD23 Increase Its Affinity for Human Immunoglobulin E.
J.Biol.Chem., 288, 2013
3OXW
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BU of 3oxw by Molmil
Crystal Structure of HIV-1 I50V, A71V Protease in Complex with the Protease Inhibitor Darunavir
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Mittal, S, Bandaranayake, R.M, Schiffer, C.A.
Deposit date:2010-09-22
Release date:2011-09-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and thermodynamic basis of amprenavir/darunavir and atazanavir resistance in HIV-1 protease with mutations at residue 50.
J.Virol., 87, 2013
3OVO
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BU of 3ovo by Molmil
REFINED X-RAY CRYSTAL STRUCTURES OF THE REACTIVE SITE MODIFIED OVOMUCOID INHIBITOR THIRD DOMAINS FROM SILVER PHEASANT (OMSVP3(ASTERISK)) AND FROM JAPANESE QUAIL (OMJPQ3(ASTERISK))
Descriptor: OVOMUCOID THIRD DOMAIN CLEAVED RDI
Authors:Musil, D, Bode, W.
Deposit date:1991-05-13
Release date:1993-01-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Refined X-ray crystal structures of the reactive site modified ovomucoid inhibitor third domains from silver pheasant (OMSVP3*) and from Japanese quail (OMJPQ3*).
J.Mol.Biol., 220, 1991
4B1A
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BU of 4b1a by Molmil
Crystal structure of lysozyme with Keggin molecule
Descriptor: CHLORIDE ION, LYSOZYME C, Phosphomolybdate keggin, ...
Authors:Mukhopadhyay, A, Silva, T.S, Romao, M.J, Romao, C.C.
Deposit date:2012-07-09
Release date:2013-02-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Characterization of a Versatile Organometallic Pro-Drug (Corm) for Experimental Co Based Therapeutics.
Dalton Trans, 42, 2013
3OYO
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BU of 3oyo by Molmil
Crystal structure of hemopexin fold protein CP4 from cow pea
Descriptor: CALCIUM ION, CHLORIDE ION, SODIUM ION, ...
Authors:Gaur, V, Chanana, V, Salunke, D.M.
Deposit date:2010-09-23
Release date:2011-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structure of a haemopexin-fold protein from cow pea (Vigna unguiculata) suggests functional diversity of haemopexins in plants
Acta Crystallogr.,Sect.F, 67, 2011

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