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4P6J
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BU of 4p6j by Molmil
Crystal Structure of the Computationally Designed Transmembrane Metallotransporter with 4-bromophenylalanine in Octyl Glucoside
Descriptor: Computationally Designed Transporter of Zn(II) and Proton, SULFATE ION
Authors:Joh, N.H, Acharya, R, DeGrado, W.F.
Deposit date:2014-03-25
Release date:2014-12-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:De novo design of a transmembrane Zn2+-transporting four-helix bundle.
Science, 346, 2014
4P6K
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BU of 4p6k by Molmil
Crystal Structure of the Computationally Designed Transmembrane Metallotransporter with 4-bromophenylalanine in Lipidic Cubic Phase
Descriptor: Computationally Designed Transporter of Zn(II) and Proton
Authors:Joh, N.H, Acharya, R, DeGrado, W.F.
Deposit date:2014-03-25
Release date:2014-12-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.704 Å)
Cite:De novo design of a transmembrane Zn2+-transporting four-helix bundle.
Science, 346, 2014
3VDZ
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BU of 3vdz by Molmil
Tailoring Encodable Lanthanide-Binding Tags as MRI Contrast Agents: xq-dSE3-Ubiquitin at 2.4 Angstroms
Descriptor: GADOLINIUM ATOM, SULFATE ION, Ubiquitin-40S ribosomal protein S27a
Authors:Daughtry, K.D, Martin, L.J, Surraju, A, Imperiali, B, Allen, K.N.
Deposit date:2012-01-06
Release date:2012-11-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Tailoring encodable lanthanide-binding tags as MRI contrast agents.
Chembiochem, 13, 2012
3DGD
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BU of 3dgd by Molmil
Crystal structure of the F87M/L110M mutant of human transthyretin at pH 4.6
Descriptor: ACETATE ION, GLYCEROL, Transthyretin, ...
Authors:Palmieri, L.C, Freire, J.B.B, Foguel, D, Lima, L.M.T.R.
Deposit date:2008-06-13
Release date:2008-07-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.383 Å)
Cite:Novel Zn2+-binding sites in human transthyretin: implications for amyloidogenesis and retinol-binding protein recognition.
J.Biol.Chem., 285, 2010
5K2L
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BU of 5k2l by Molmil
Crystal structure of LysM domain from Volvox carteri chitinase
Descriptor: 1,2-ETHANEDIOL, Chitinase, lysozyme
Authors:Kitaoku, Y, Numata, T, Fukamizo, T, Ohnuma, T.
Deposit date:2016-05-19
Release date:2017-02-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Chitin oligosaccharide binding to the lysin motif of a novel type of chitinase from the multicellular green alga, Volvox carteri.
Plant Mol. Biol., 93, 2017
3ZQR
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BU of 3zqr by Molmil
NMePheB25 insulin analogue crystal structure
Descriptor: CHLORIDE ION, INSULIN A CHAIN, INSULIN B CHAIN, ...
Authors:Antolikova, E, Zakova, L, Turkenburg, J.P, Watson, C.J, Hanclova, I, Sanda, M, Cooper, A, Kraus, T, Brzozowski, A.M, Jiracek, J.A.
Deposit date:2011-06-10
Release date:2011-08-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Non-Equivalent Role of Inter- and Intramolecular Hydrogen Bonds in the Insulin Dimer Interface.
J.Biol.Chem., 286, 2011
5AZQ
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BU of 5azq by Molmil
Crystal structure of cyano-cobalt(III) tetradehydrocorrin in the heme pocket of horse heart myoglobin
Descriptor: (1R,19R) cobalt tetradehydrocorrin, (1S,19S) cobalt tetradehydrocorrin, CYANIDE ION, ...
Authors:Mizohata, E, Morita, Y, Oohora, K, Inoue, T, Hayashi, T.
Deposit date:2015-10-21
Release date:2016-01-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal Structures and Coordination Behavior of Aqua- and Cyano-Co(III) Tetradehydrocorrins in the Heme Pocket of Myoglobin
Inorg.Chem., 55, 2016
5CTW
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BU of 5ctw by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(butanoylamino)thiophene-3-carboxamide, CHLORIDE ION, ...
Authors:Andersen, O.A, Barker, J, Hadfield, A.T, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D.
Deposit date:2015-07-24
Release date:2016-02-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
5CTX
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BU of 5ctx by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-phenyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, DNA gyrase subunit B, ...
Authors:Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D.
Deposit date:2015-07-24
Release date:2016-02-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
8KG3
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BU of 8kg3 by Molmil
Structure of THOUSAND-GRAIN WEIGHT 6 (TGW6)
Descriptor: Os06g0623700 protein
Authors:Akabane, T, Suzuki, N, Matsumura, H, Yoshizawa, T, Tsuchiya, W, Katoh, E, Hirotsu, N.
Deposit date:2023-08-17
Release date:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:THOUSAND-GRAIN WEIGHT 6, which is an IAA-glucose hydrolase, preferentially recognizes the structure of the indole ring.
Sci Rep, 14, 2024
4AJZ
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BU of 4ajz by Molmil
Ligand controlled assembly of hexamers, dihexamers, and linear multihexamer structures by an engineered acylated insulin
Descriptor: CHLORIDE ION, INSULIN A CHAIN, INSULIN B CHAIN, ...
Authors:Steensgaard, D.B, Schluckebier, G, Strauss, H.M, Norrman, M, Thomsen, J.K, Friderichsen, A.V, Havelund, S, Jonassen, I.
Deposit date:2012-02-21
Release date:2013-01-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ligand Controlled Assembly of Hexamers, Dihexamers, and Linear Multihexamer Structures by the Engineered Acylated Insulin Degludec.
Biochemistry, 52, 2013
5CPH
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BU of 5cph by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment
Descriptor: (3E)-3-(pyridin-3-ylmethylidene)-1,3-dihydro-2H-indol-2-one, (4S)-2-METHYL-2,4-PENTANEDIOL, DNA gyrase subunit B, ...
Authors:Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D.
Deposit date:2015-07-21
Release date:2016-02-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
4AJX
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BU of 4ajx by Molmil
Ligand controlled assembly of hexamers, dihexamers, and linear multihexamer structures by an engineered acylated insulin
Descriptor: IMIDAZOLE, INSULIN, N-(16-Carboxyhexadecanoyl)-L-glutamic acid, ...
Authors:Steensgaard, D.B, Schluckebier, G, Strauss, H.M, Norrman, M, Thomsen, J.K, Friderichsen, A.V, Havelund, S, Jonassen, I.
Deposit date:2012-02-20
Release date:2013-01-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Ligand Controlled Assembly of Hexamers, Dihexamers, and Linear Multihexamer Structures by the Engineered Acylated Insulin Degludec.
Biochemistry, 52, 2013
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
5DDP
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BU of 5ddp by Molmil
L-glutamine riboswitch bound with L-glutamine
Descriptor: GLUTAMINE, MAGNESIUM ION, RNA (61-MER), ...
Authors:Ren, A, Patel, D.J.
Deposit date:2015-08-25
Release date:2015-12-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Structural and Dynamic Basis for Low-Affinity, High-Selectivity Binding of L-Glutamine by the Glutamine Riboswitch.
Cell Rep, 13, 2015
4AKJ
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BU of 4akj by Molmil
Ligand controlled assembly of hexamers, dihexamers, and linear multihexamer structures by an engineered acylated insulin
Descriptor: CHLORIDE ION, INSULIN A CHAIN, INSULIN B CHAIN, ...
Authors:Steensgaard, D.B, Schluckebier, G, Strauss, H.M, Norrman, M, Thomsen, J.K, Friderichsen, A.V, Havelund, S, Jonassen, I.
Deposit date:2012-02-23
Release date:2013-01-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Ligand Controlled Assembly of Hexamers, Dihexamers, and Linear Multihexamer Structures by the Engineered Acylated Insulin Degludec.
Biochemistry, 52, 2013
8PII
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BU of 8pii by Molmil
VHH Z70 mutant 3 in interaction with PHF6 Tau peptide
Descriptor: Microtubule-associated protein tau, VHH Z70 Mutant 3
Authors:Dupre, E, Mortelecque, J, NGuyen, M, Hanoulle, X, Landrieu, I.
Deposit date:2023-06-21
Release date:2023-07-05
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:A selection and optimization strategy for single-domain antibodies targeting the PHF6 linear peptide within the tau intrinsically disordered protein.
J.Biol.Chem., 300, 2024
5CTY
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BU of 5cty by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, CHLORIDE ION, ...
Authors:Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D.
Deposit date:2015-07-24
Release date:2016-02-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
5CRW
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BU of 5crw by Molmil
Crystal structure of the b'-a' domain of oxidized protein disulfide isomerase complexed with alpha-synuclein peptide (31-41)
Descriptor: Peptide from Alpha-synuclein, Protein disulfide-isomerase
Authors:Yagi-Utsumi, M, Satoh, T, Kato, K.
Deposit date:2015-07-23
Release date:2015-09-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis of redox-dependent substrate binding of protein disulfide isomerase.
Sci Rep, 5, 2015
4AK0
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BU of 4ak0 by Molmil
Ligand controlled assembly of hexamers, dihexamers, and linear multihexamer structures by an engineered acylated insulin
Descriptor: INSULIN A CHAIN, INSULIN B CHAIN
Authors:Steensgaard, D.B, Schluckebier, G, Strauss, H.M, Norrman, M, Thomsen, J.K, Friderichsen, A.V, Havelund, S, Jonassen, I.
Deposit date:2012-02-21
Release date:2013-01-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Ligand Controlled Assembly of Hexamers, Dihexamers, and Linear Multihexamer Structures by the Engineered Acylated Insulin Degludec.
Biochemistry, 52, 2013
5DDQ
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BU of 5ddq by Molmil
L-glutamine riboswitch bound with L-glutamine soaked with Mn2+
Descriptor: GLUTAMINE, L-glutamine riboswitch RNA (61-MER), MAGNESIUM ION, ...
Authors:Ren, A, Patel, D.J.
Deposit date:2015-08-25
Release date:2015-12-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and Dynamic Basis for Low-Affinity, High-Selectivity Binding of L-Glutamine by the Glutamine Riboswitch.
Cell Rep, 13, 2015
5CXT
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BU of 5cxt by Molmil
Crystal structure of a RNA-binding protein 39 (RBM39) in complex with fragment of splicing factor (U2AF) from Unknown at 2.20 A resolution
Descriptor: RNA-binding protein 39, Splicing factor U2AF 65 kDa subunit
Authors:Joint Center for Structural Genomics (JCSG), Partnership for T-Cell Biology (TCELL)
Deposit date:2015-07-29
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:UHM-ULM interactions in the RBM39-U2AF65 splicing-factor complex.
Acta Crystallogr D Struct Biol, 72, 2016
5DDR
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BU of 5ddr by Molmil
L-glutamine riboswitch bound with L-glutamine soaked with Cs+
Descriptor: CESIUM ION, GLUTAMINE, L-glutamine riboswitch RNA (61-MER), ...
Authors:Ren, A, Patel, D.J.
Deposit date:2015-08-25
Release date:2015-12-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.605 Å)
Cite:Structural and Dynamic Basis for Low-Affinity, High-Selectivity Binding of L-Glutamine by the Glutamine Riboswitch.
Cell Rep, 13, 2015
5AZR
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BU of 5azr by Molmil
Crystal structure of aqua-cobalt(III) tetradehydrocorrin in the heme pocket of horse heart myoglobin
Descriptor: (1R,19R) cobalt tetradehydrocorrin, (1S,19S) cobalt tetradehydrocorrin, GLYCEROL, ...
Authors:Mizohata, E, Morita, Y, Oohora, K, Inoue, T, Hayashi, T.
Deposit date:2015-10-21
Release date:2016-01-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal Structures and Coordination Behavior of Aqua- and Cyano-Co(III) Tetradehydrocorrins in the Heme Pocket of Myoglobin
Inorg.Chem., 55, 2016
8OPI
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BU of 8opi by Molmil
VHH Z70 mutant 1 in interaction with PHF6 Tau peptide
Descriptor: PHF6 Tau peptide, VHH Z70 mutant 1
Authors:Dupre, E, Mortelecque, J, NGuyen, M, Hanoulle, X, Landrieu, I.
Deposit date:2023-04-07
Release date:2023-05-31
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:A selection and optimization strategy for single-domain antibodies targeting the PHF6 linear peptide within the tau intrinsically disordered protein.
J.Biol.Chem., 300, 2024

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