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4LE9
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BU of 4le9 by Molmil
Crystal structure of a chimeric c-Src-SH3 domain
Descriptor: Proto-oncogene tyrosine-protein kinase Src, TRIETHYLENE GLYCOL
Authors:Camara-Artigas, A, Martinez-Rodriguez, S, Ortiz-Salmeron, E, Martin-Garcia, J.M.
Deposit date:2013-06-25
Release date:2014-05-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.344 Å)
Cite:3D domain swapping in a chimeric c-Src SH3 domain takes place through two hinge loops.
J.Struct.Biol., 186, 2014
7ZR2
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BU of 7zr2 by Molmil
Crystal structure of a chimeric protein mimic of SARS-CoV-2 Spike HR1 in complex with HR2
Descriptor: Spike protein S2', Spike protein S2',Chimeric protein mimic of SARS-CoV-2 Spike HR1
Authors:Camara-Artigas, A, Gavira, J.A, Cano-Munoz, M, Polo-Megias, D, Conejero-Lara, F.
Deposit date:2022-05-03
Release date:2022-11-09
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Novel chimeric proteins mimicking SARS-CoV-2 spike epitopes with broad inhibitory activity.
Int.J.Biol.Macromol., 222, 2022
8AQO
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BU of 8aqo by Molmil
Streptavidin with a bisbiothinilated Fe4S4 cluster
Descriptor: 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[[20-[2-[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethanoylamino]-2$l^{3},4,12,14$l^{3},16,24,25$l^{3},27$l^{3}-octathia-1$l^{4},3$l^{4},13$l^{4},15$l^{4}-tetraferranonacyclo[11.11.1.1^{1,13}.1^{6,10}.1^{18,22}.0^{2,15}.0^{3,14}.0^{3,25}.0^{15,27}]octacosa-6(28),7,9,18,20,22(26)-hexaen-8-yl]amino]-2-oxidanylidene-ethyl]pentanamide, Streptavidin
Authors:Igareta, N.V, Ward, T.R.
Deposit date:2022-08-13
Release date:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Hydrophobic probe bound to Streptavidin - 1
To Be Published
3PRG
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BU of 3prg by Molmil
LIGAND BINDING DOMAIN OF HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR
Descriptor: PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA
Authors:Uppenberg, J, Svensson, C, Jaki, M, Bertilsson, G, Jendeberg, L, Berkenstam, A.
Deposit date:1998-08-24
Release date:1999-08-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of the ligand binding domain of the human nuclear receptor PPARgamma.
J.Biol.Chem., 273, 1998
6YBM
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BU of 6ybm by Molmil
Scaffold-ligand complex with ligand unmodelled.
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, Peptidyl-prolyl cis-trans isomerase F, ...
Authors:Zacharchenko, T, Lian, L.Y.
Deposit date:2020-03-17
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Scaffold-ligand complex with ligand unmodelled.
To Be Published
6VZO
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BU of 6vzo by Molmil
Crystal structure of human PPARgamma ligand binding domain (Protein delipidated by denature and refold)
Descriptor: Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2020-02-28
Release date:2021-03-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural mechanism underlying ligand binding and activation of PPAR gamma.
Structure, 29, 2021
6VZM
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BU of 6vzm by Molmil
Crystal structure of human PPARgamma ligand binding domain Y473E mutant in complex with Darglitazone
Descriptor: (5Z)-5-({4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl}methylidene)-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2020-02-28
Release date:2021-03-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural mechanism underlying ligand binding and activation of PPAR gamma.
Structure, 29, 2021
6VZN
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BU of 6vzn by Molmil
Crystal structure of human PPARgamma ligand binding domain Y473E mutant
Descriptor: Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2020-02-28
Release date:2021-03-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural mechanism underlying ligand binding and activation of PPAR gamma.
Structure, 29, 2021
6VZL
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BU of 6vzl by Molmil
Crystal structure of human PPARgamma ligand binding domain in complex with GW1929
Descriptor: (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2020-02-28
Release date:2021-03-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural mechanism underlying ligand binding and activation of PPAR gamma.
Structure, 29, 2021
8AQY
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BU of 8aqy by Molmil
streptavidin mutant S112A with an iridium catalyst for CH activation
Descriptor: Streptavidin, tert-butyl 7'-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-chloranyl-2,3,4,5,6-pentamethyl-spiro[1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane-1,2'-3-aza-1-azonia-2$l^{8}-iridatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4,6,8(12),9-pentaene]-3'-carboxylate
Authors:Igareta, N.V, Ward, T.R.
Deposit date:2022-08-15
Release date:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:streptavidin mutant S112A with an iridium catalyst for CH activation
To Be Published
1M18
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BU of 1m18 by Molmil
LIGAND BINDING ALTERS THE STRUCTURE AND DYNAMICS OF NUCLEOSOMAL DNA
Descriptor: Histone H2A.1, Histone H2B.1, Histone H3.2, ...
Authors:Suto, R.K, Edayathumangalam, R.S, White, C.L, Melander, C, Gottesfeld, J.M, Dervan, P.B, Luger, K.
Deposit date:2002-06-18
Release date:2003-02-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal Structures of Nucleosome Core Particles in Complex with Minor Groove DNA-binding Ligands
J.Mol.Biol., 326, 2003
1M19
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BU of 1m19 by Molmil
LIGAND BINDING ALTERS THE STRUCTURE AND DYNAMICS OF NUCLEOSOMAL DNA
Descriptor: 3-AMINO-(DIMETHYLPROPYLAMINE), 4-AMINO-(1-METHYLIMIDAZOLE)-2-CARBOXYLIC ACID, 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID, ...
Authors:Suto, R.K, Edayathumangalam, R.S, White, C.L, Melander, C, Gottesfeld, J.M, Dervan, P.B, Luger, K.
Deposit date:2002-06-18
Release date:2003-02-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of Nucleosome Core Particles in Complex with Minor Groove DNA-binding Ligands
J.Mol.Biol., 326, 2003
1M1A
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BU of 1m1a by Molmil
LIGAND BINDING ALTERS THE STRUCTURE AND DYNAMICS OF NUCLEOSOMAL DNA
Descriptor: 3-AMINO-(DIMETHYLPROPYLAMINE), 4-AMINO-(1-METHYLIMIDAZOLE)-2-CARBOXYLIC ACID, 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID, ...
Authors:Suto, R.K, Edayathumangalam, R.S, White, C.L, Melander, C, Gottesfeld, J.M, Dervan, P.B, Luger, K.
Deposit date:2002-06-18
Release date:2003-02-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal Structures of Nucleosome Core Particles in Complex with Minor Groove DNA-binding Ligands
J.MOL.BIOL., 326, 2003
7AM3
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BU of 7am3 by Molmil
Crystal structure of Peptiligase mutant - M222P
Descriptor: GLYCEROL, SULFATE ION, Subtilisin BPN'
Authors:Rozeboom, H.J, Janssen, D.J.
Deposit date:2020-10-08
Release date:2021-02-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:From thiol-subtilisin to omniligase: Design and structure of a broadly applicable peptide ligase.
Comput Struct Biotechnol J, 19, 2021
7AM6
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BU of 7am6 by Molmil
Crystal structure of Peptiligase mutant - L217H/M222P/A225N/F189W
Descriptor: D(-)-TARTARIC ACID, GLYCEROL, LEU-PRO-GLU-GLY-SER-PRO-VAL-THR-ASP-LEU-ARG-TYR, ...
Authors:Rozeboom, H.J, Janssen, D.J.
Deposit date:2020-10-08
Release date:2021-02-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:From thiol-subtilisin to omniligase: Design and structure of a broadly applicable peptide ligase.
Comput Struct Biotechnol J, 19, 2021
7AM8
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BU of 7am8 by Molmil
Crystal structure of Omniligase mutant W189F
Descriptor: ACRYLIC ACID, CHLORIDE ION, HISTIDINE, ...
Authors:Rozeboom, H.J, Janssen, D.J.
Deposit date:2020-10-08
Release date:2021-02-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:From thiol-subtilisin to omniligase: Design and structure of a broadly applicable peptide ligase.
Comput Struct Biotechnol J, 19, 2021
7AM4
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BU of 7am4 by Molmil
Crystal structure of Peptiligase mutant - L217H/M222P
Descriptor: GLYCEROL, SULFATE ION, Subtilisin BPN'
Authors:Rozeboom, H.J, Janssen, D.J.
Deposit date:2020-10-08
Release date:2021-02-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:From thiol-subtilisin to omniligase: Design and structure of a broadly applicable peptide ligase.
Comput Struct Biotechnol J, 19, 2021
7AM5
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BU of 7am5 by Molmil
Crystal structure of Peptiligase mutant - L217H/M222P/A225N
Descriptor: SODIUM ION, Subtilisin BPN'
Authors:Rozeboom, H.J, Janssen, D.J.
Deposit date:2020-10-08
Release date:2021-02-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:From thiol-subtilisin to omniligase: Design and structure of a broadly applicable peptide ligase.
Comput Struct Biotechnol J, 19, 2021
7AM7
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BU of 7am7 by Molmil
Crystal structure of Peptiligase mutant - M222P/L217H/A225N/F189W/N218D
Descriptor: Eglin C fragment, GLYCEROL, SULFATE ION, ...
Authors:Rozeboom, H.J, Janssen, D.J.
Deposit date:2020-10-08
Release date:2021-02-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:From thiol-subtilisin to omniligase: Design and structure of a broadly applicable peptide ligase.
Comput Struct Biotechnol J, 19, 2021
6ZGJ
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BU of 6zgj by Molmil
GLIC pentameric ligand-gated ion channel, pH 5
Descriptor: Proton-gated ion channel
Authors:Rovsnik, U, Zhuang, Y, Forsberg, B.O, Carroni, M, Yvonnesdotter, L, Howard, R.J, Lindahl, E.
Deposit date:2020-06-18
Release date:2021-05-26
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Dynamic closed states of a ligand-gated ion channel captured by cryo-EM and simulations.
Life Sci Alliance, 4, 2021
4CGN
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BU of 4cgn by Molmil
Leishmania major N-myristoyltransferase in complex with a piperidinylindole inhibitor
Descriptor: 2-(4-fluorophenyl)-N-(3-piperidin-4-yl-1H-indol-5-yl)ethanamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ...
Authors:Brannigan, J.A, Roberts, S.M, Bell, A.S, Hutton, J.A, Smith, D.F, Tate, E.W, Leatherbarrow, R.J, Wilkinson, A.J.
Deposit date:2013-11-25
Release date:2014-07-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Diverse Modes of Binding in Structures of Leishmania Major N-Myristoyltransferase with Selective Inhibitors
Iucrj, 1, 2014
6ZGK
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BU of 6zgk by Molmil
GLIC pentameric ligand-gated ion channel, pH 3
Descriptor: Proton-gated ion channel
Authors:Rovsnik, U, Zhuang, Y, Forsberg, B.O, Carroni, M, Yvonnesdotter, L, Howard, R.J, Lindahl, E.
Deposit date:2020-06-18
Release date:2021-05-26
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Dynamic closed states of a ligand-gated ion channel captured by cryo-EM and simulations.
Life Sci Alliance, 4, 2021
6ZGD
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BU of 6zgd by Molmil
GLIC pentameric ligand-gated ion channel, pH 7
Descriptor: Proton-gated ion channel
Authors:Rovsnik, U, Zhuang, Y, Forsberg, B.O, Carroni, M, Yvonnesdotter, L, Howard, R.J, Lindahl, E.
Deposit date:2020-06-18
Release date:2021-05-26
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Dynamic closed states of a ligand-gated ion channel captured by cryo-EM and simulations.
Life Sci Alliance, 4, 2021
2C5C
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BU of 2c5c by Molmil
Shiga-like toxin 1 B subunit complexed with a bivalent inhibitor
Descriptor: DIETHYL PROPANE-1,3-DIYLBISCARBAMATE, SHIGA-LIKE TOXIN 1 B SUBUNIT, SULFATE ION, ...
Authors:Dodd, R.B, Read, R.J.
Deposit date:2005-10-26
Release date:2006-11-27
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Extensive Cross-Linking of the Shiga-Like Toxin 1 B Subunit by a Bivalent Ligand
To be Published
5BVQ
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BU of 5bvq by Molmil
Ligand-unbound pFABP4
Descriptor: fatty acid-binding protein
Authors:Lee, J.H, Lee, C.W, Do, H.
Deposit date:2015-06-05
Release date:2015-08-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for the ligand-binding specificity of fatty acid-binding proteins (pFABP4 and pFABP5) in gentoo penguin
Biochem.Biophys.Res.Commun., 465, 2015

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